235TH ACS NATIONAL MEETING - C&EN Global Enterprise (ACS

TECHNICA L PROGRA M BRIGHTLY LIT

NEW ORLEANS CONVENTION & VIS ITORS BU R EAU

The Crescent City Connection leads visitors over the Mississippi River and into New Orleans.

235TH ACS NATIONAL MEETING NEW ORLEANS, April 6–10

LIVELY AND WELCOMING, New Orleans

will set the scene for the American Chemical Society’s 235th national meeting. The ACS president, 29 technical divisions, one secretariat, and four committees will host ME E TIN G & E XP OS I T ION IN FO RMATI ON ONL I NE Access up-to-date meeting details and the official version of the technical program on the attendee website at www.acs.org/meetings/national. This website will be updated as the meeting nears and includes information on Registration, Accommodations, Technical Programming, Exposition, Workshops, and Social & Special Events among other activities. Because some locations may change after C&EN’s press time, be sure to pick up a program on-site.

original programming in 712 half-day oral sessions and 89 poster sessions. More than 9,200 papers will be presented. Because the American Institute of Chemical Engineers’ (AIChE) spring meeting coincides with ACS’s in the “Big Easy,” the societies are cosponsoring symposia in subject areas of interest to both societies’ members. Following a joint opening presidential reception on Sunday evening, a joint presidential keynote symposium titled “Energy Research: Future Challenges and Opportunities” will be held on Monday from 1:30 to 5 PM. Energy development, education initiatives, enhanced communication of the centrality of chemistry, and international cooperation between chemists and chemical engineers are the broad programmatic meeting themes selected by ACS President Bruce E. Bursten. This year’s ACS national awards event WWW.C E N- ONLI NE .ORG

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REGISTRATION CATEGORY

STANDARD ON-SITE FEE

MEMBERS ACS member or society affiliate Postdoctoral member Emeritus or retired member 50-year member Unemployed member (Dues waiver required) Precollege teacher Graduate student, less than postdoctoral One-day registrant NONMEMBERS Chemical scientist Postdoctoral scientist Visitor: Nonchemical scientist or chemical technician Precollege teacher Graduate student, less than postdoctoral One-day registrant Guest of registranta UNDERGRADUATE STUDENTS ACS student affiliate Visitor: Undergraduate student EXPOSITION-ONLY VISITORS Adult, exposition only Student, exposition only

$400 400 200 No Fee No Fee 85 165 200 $700 700 400 85 330 400 35 $85 165 $35 10

a Registration is restricted to a spouse or family member of registered attendee having no affiliation with the field of chemical science and who is not eligible to become an ACS member. Only one guest registration is allowed per registering attendee, and the guest registration must be completed and paid by the registering attendee at time of original registration.

TECHNICA L PROGRA M

will be held on Tuesday evening at The Sugar Mill, where Gabor Somorjai will deliver the Priestley Medal address. Other winners will deliver their addresses to appropriate divisions or during the fall national meeting in Philadelphia. Workshops covering laboratory safety, professional skills, leadership, and more will be open to all registrants but require separate registration and/or fees. A Cellulose & Renewable Materials Division workshop and a Water Congress Workshop are free, with no registration required. ACS short courses, designed to improve the skills and marketability of chemical scientists and technicians, also require separate registration and fees. The ACS/AIChE Career Fair, social events, and exposition round out the meeting.

H O US I N G & TRA N S P O RTATI O N FO R TH E N ATI O N A L M EETI N G Limited housing assistance will be available through March 27 on the attendee website at www.acs.org/meetings/ national. Find the most up-to-date hotel details, local maps, transportation advice, and ACS shuttle routes.

EARLY REGISTRATION. Early registra-

tion for the national meeting closed on March 11, and registrations or payments received after March 11 will be processed at standard registration rates. Attendees who registered by March 11 should receive their badge credentials in the mail before the meeting. International registrants and early registrants who do not receive their badge credentials before the meeting must pick them up at ACS Attendee Registration (Morial Convention Center, Hall B2) during the meeting. Please bring your e-mail confirmation for faster processing.

SATURDAY, APRIL 5 Clay Minerals Society/GEOC Clay Surface Redox Processes & Characterization Workshop/Ticket No. SE-01/$100 (T)

Wednesday, from 7:30 AM to 7 PM; and Thursday, from 7:30 AM to 1 PM.

9 AM to 5 PM Bourbon Orleans, 717 Orleans St.

ACS-AICHE COLOCATION. In 2008,

Chemistry in Action: “What Do You Know about H2O?” Community Outreach Event for Elementary and Middle School Students (NT)

the American Institute of Chemical Engineers (AIChE) spring national meeting coincides with the ACS 235th national meeting and exposition. Because of this unique opportunity, AIChE and ACS have joined together to cosponsor symposia at the meeting in New Orleans. Organizing committees from both organizations have developed symposia in subject areas of interest to both societies. Registered attendees of either society’s meeting may attend technical sessions at both the ACS and AIChE meetings and explore the exposition featuring ACS, AIChE, and the Global Congress on Process Safety exhibitors.

REGISTRATION

be made by April 2 in accordance with the ACS Social Event Cancellation Policy. See www.acs.org/meetings/national for more information.

11 AM to 1 PM Audubon Aquarium of the Americas, 1 Canal St. Committee on the Advancement of Women Chemists (COACh) Reception (NT)

5 to 7 PM New Orleans Marriott on Canal, La Galerie 1 SUNDAY, APRIL 6 ACS Web Usability Testing (NT)

SOCIAL & SPECIAL EVENTS A VARIETY of organizers will hold social

STANDARD & ON-SITE REGISTRATION.

Standard registration fees are in effect between March 12 and April 10. Register online at www.acs.org/meetings/national anytime before the meeting ends on the afternoon of April 10. A valid membership number must be entered during registration to register as a member and receive your ACS member discount on registration fees. Attendees who register after March 11 must pick up their badge credentials at ACS Attendee Registration during the meeting. Please bring your e-mail confirmation for faster processing. In New Orleans, attendees can pick up their badge credentials or complete a new registration using credit card, cash, check, or money order at ACS Attendee Registration (Morial Convention Center, Hall B2) on Saturday, from 3 to 6 PM; Sunday through Tuesday, from 7:30 AM to 9 PM;

and special events during the meeting. Event participation is open to all interested registrants. Some events require purchase of a ticket to participate. The following events are coded to indicate what is required to participate: T—ticket required; NT—sponsored, no ticket required; COD—payment due based on individual consumption at event; B—meeting badge must be visible to enter. Event tickets can be purchased through ACS Attendee Registration online until April 10 or on-site April 6–10. Attendees who purchase tickets after March 11 must pick up their tickets at ACS Attendee Registration during the meeting. All tickets are sold on a first-come, first-served basis, and ticket sales for specific events will close 24 hours prior to the event. Some event organizers may offer a limited number of tickets for sale at the door of the event if they are still available. Cancellations or refund requests must

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7 AM to 7 PM Embassy Suites, Julia Suite Undergraduate Student Hospitality Center (B)

8 AM to 5 PM Hilton New Orleans Riverside/ HEC Ballroom ACS/AIChE Career Fair (B)

8 AM to 5:30 PM Morial Convention Center, Hall B1 CHED High School Teachers Program (B)

8:30 AM to 5 PM Hilton New Orleans Riverside, Rosedown Women Chemists Committee STARS Exhibit & Reception (NT)

8:30 AM to 5 PM New Orleans Marriott on Canal, Mardi Gras F-H ACS Board of Directors Open Meeting (NT)

10 AM to 12:30 PM New Orleans Marriott on Canal, La Galerie 1&2

CHED High School-College Interface Luncheon/Ticket No. SE-02/$30 (T)

Noon to 2 PM Hilton New Orleans Riverside, Ascot/ Newberry Younger Chemists Committee Open Meeting & Reception (NT)

3:30 to 7 PM New Orleans Marriott on Canal, La Galerie 2 CELL Poster Session (NT)

POLY Social Hour & Poster Session (NT)

6 to 8 PM Morial Convention Center, Hall A ACS/AIChE Opening Reception/Ticket No. SE-03/No Charge (T)

6 to 8 PM Morial Convention Center, La Louisiane Ballroom A/B Committee on Minority Affairs Networking & Social Hour (NT)

ORGN Poster Session & Social Hour (NT)

8 to 10 PM Morial Convention Center, Hall A MONDAY, APRIL 7 ACS Web Usability Testing (NT)

7 AM to 7 PM Embassy Suites, Julia Suite

5 to 7 PM Morial Convention Center, Hall A

6 to 8 PM New Orleans Marriott on Canal, Mardi Gras A/C

Women Chemists Committee Women in Industry Breakfast/Ticket No. SE-05 (regular)/$35, Ticket No. SE-06 (student)/$17 (T)

Royal Society of Chemistry Reception (NT)

TECH Award Social Hour & Dinner/Ticket No. SE-04/$60 (T)

5:30 to 7 PM New Orleans Marriott on Canal, Mardi Gras D

6 to 9 PM Bourbon House, 144 Bourbon St.

7:30 to 9 AM New Orleans Marriott on Canal, La Galerie 2

International Activities Committee Reception for International Registrants (NT)

5:30 to 7:30 PM New Orleans Marriott on Canal, Mardi Gras E CHED Reception (NT)

5:30 to 7:30 PM Hilton New Orleans Riverside, Napoleon Ballroom GEOC Business Meeting & Social Hour (NT)

5:30 to 7:30 PM Marriott Convention Center, Blaine Kern B

Student Affiliates Chapter Awards Ceremony (NT)

7 to 8:30 PM Hilton New Orleans Riverside, Grand Ballroom A/B

Undergraduate Student Hospitality Center (NT)

8 AM to 5 PM Hilton New Orleans Riverside, HEC Ballroom ACS/AIChE Career Fair (NT)

CINF Welcoming Reception (NT)

6:30 to 8:30 PM New Orleans Marriott Convention Center, River Bend PRES Celebrating 10 Years of Beckman Scholars in Chemistry Poster Session (NT)

8 AM to 5:30 PM Morial Convention Center, Hall B1 ACS National Exposition featuring ACS, AIChE & Global Congress on Process Safety Exhibitors (NT)

9 AM to 5 PM Morial Convention Center, Halls C & D


CHED Poster Session & Social Hour (NT)

ANYL Poster Session & Social Hour (NT)

11 AM to 1 PM Morial Convention Center, Hall A

District II Councilor Caucus (NT)


6 to 7 PM New Orleans Marriott on Canal, Balcony L

INOR Poster Session & Social Hour (NT)

Middle Atlantic Councilor Caucus (NT)


11:30 AM to 1:30 PM New Orleans Marriott on Canal, La Galerie 5

MEDI Poster Session & Social Hour (NT)

Purdue University Chemistry Alumni Luncheon/Ticket No. SE-08/$15 (T)

Western Regional Councilor Caucus (NT)


Noon to 1:30 PM Marriott Convention Center, River Bend 1

6 to 7 PM New Orleans Marriott on Canal, Balcony N

Undergraduate Student Social (NT)

TECH Luncheon & Reception/Ticket No. SE-09/$10 (T)

6 to 7 PM New Orleans Marriott on Canal, Balcony M

District V Councilor Caucus (NT)

6 to 7 PM New Orleans Marriott on Canal, Studio 2

7:30 to 11:30 PM Hilton New Orleans Riverside, Grand Ballroom C/D

District IV Councilor Caucus (NT)

CHED Poster Session & Social Hour (NT)

6 to 7 PM New Orleans Marriott on Canal, Studio 9

7:30 to 9:30 PM Morial Convention Center, Hall A WWW.C E N- ONLI NE .ORG

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Committee on Minority Affairs Reception & Luncheon/Ticket No. SE-07/$50 (T)

Noon to 2 PM Embassy Suites Convention Center, Diamond B Corporation Associates Award Luncheon/Ticket No. SE-10/$50 (T)

12:30 to 1:30 PM

TECHNICA L PROGRA M

New Orleans Marriott on Canal, La Galerie 4

Corporation Associates Reception for Undergraduates (NT)

Silver Circle & Retiree Breakfast/Ticket No. SE-13/$12 (T)

CHED Undergraduate Research Poster Session & Social Hour (NT)

6 to 7:30 PM Hilton New Orleans Riverside, HEC Ballroom

7:30 to 9 AM New Orleans Marriott on Canal, Mardi Gras D

Alumni & Friends of Iowa State University Chemistry Social Hour (NT)

Cornell Chemistry-Sponsored Breakfast (NT)

6 to 7:30 PM Hilton New Orleans Riverside, Belle Chasse

7:45 to 9 AM Morial Convention Center, Room 232

2 to 4 PM Morial Convention Center, Hall A Kayak Dedication Event (NT)

5 to 6 PM Morial Convention Center, Outside of Hall B2

ACS/AIChE Career Fair (B)

POLY Excellence in Graduate Polymer Research/Undergraduate Polymer Research Networking Reception (NT)

5 to 6 PM Hilton New Orleans Riverside, Elmwood Tulane University Reception (NT)

Louisiana State University Chemistry Friends & Alumni Reception (NT)

5 to 7:30 PM Renaissance Arts, Patrons Ballroom I/II

PETR Poster Session & Social Hour (NT)

Iota Sigma Pi Social Hour (NT)

9 to 11 AM Morial Convention Center, Hall A

NUCL Social Hour (NT)

ACS National Exposition Featuring ACS, AIChE & Global Congress on Process Safety Exhibitors (B)

6 to 8 PM Morial Convention Center, Room 236

9 AM to 5 PM Morial Convention Center, Halls C & D

POLY/PMSE Awards Reception (NT)

Women Chemists Committee Eli Lilly Travel Award Social Hour & Poster Session (NT)

University of Southern Mississippi Chemistry & Biochemistry Alumni Celebration (NT)

5:30 to 6:30 PM Morial Convention Center, La Louisiane Ballroom A/B


Presidential Reception—Celebrating 10 Years of Beckman Scholars in Chemistry (NT)

University of Arizona Chemistry Alumni & Friends Reception (NT)

5:30 to 7 PM Morial Convention Center, Room 243

6:30 to 8:30 PM Hilton Garden Inn Convention Center, Woodward Ballroom B

Research Corporation Reception in Honor of the Awardee for Research at an Undergraduate Institution (NT)

Sci-Mix Interdivisional Poster Session & Mixer/Drink Ticket in Registration Credentials (B)

5:30 to 7:30 PM New Orleans Marriott on Canal, La Galerie 4


Chinese-American Chemical Society Social Hour & Dinner/Ticket No. SE-11/$33 (T)

6 to 8 PM Morial Convention Center, Room 209/ 210

6 to 8 PM Doubletree New Orleans, International Ballroom

6 to 8 PM Hilton New Orleans Riverside, Versailles Ballroom

Presidential Reception—Energy Research: Future Challenges and Opportunities (NT)

COLL Open Business Meeting, Social Hour & Poster Session (COD)

8 AM to 5:30 PM Morial Convention Center, Hall B1


5 to 7 PM Hilton Garden Inn Convention Center, Woodward Ballroom C

5:30 to 9:30 PM Five Happiness Restaurant, 3605 S. Carrollton Ave.

Emory University Chemistry Department Reception (NT)

TUESDAY, APRIL 8 ACS Web Usability Testing (NT)


11:30 AM to noon New Orleans Marriott on Canal, Mardi Gras E Alpha Chi Sigma Fraternity Luncheon (COD)

11:30 AM to 1:30 PM Mulate’s—The Original Cajun Restaurant, 201 Julia St. MEDI Luncheon & Learn/Ticket No. SE14/$20 (T)

11:30 AM to 2 PM Morial Convention Center, La Louisiane Ballroom A/B I&EC Awards Luncheon/Ticket No. SE25/$35

Noon to 1:30PM Marriott Convention Center, River Bend 1 Women Chemists Committee Luncheon/ Ticket No. SE-15 (regular)/$50, Ticket No. SE-16 (student)/$25 (T)

Noon to 1:30 PM New Orleans Marriott on Canal, Mardi Gras A/D

University of Minnesota Alumni & Friends Breakfast/Ticket No. SE-12/$10 (T)

CINF Luncheon/Ticket No. SE-17/$30 (T)

7:30 to 9 AM Morial Convention Center, Room 240/241

Noon to 2 PM Rio Mar, 800 South Peters St.


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COLL Luncheon/Ticket No. SE-18/$30 (T)

CINF Reception (NT)

Noon to 2 PM Morial Convention Center, Room 232

6 to 8 PM New Orleans Marriott Convention Center, River Bend 2

AGFD Poster Session & Social Hour (NT)

CARB Poster Session & Social Hour (NT)



Committee on Community Activities Reception & Open Meeting (NT)

Clay Minerals Society Banquet/Ticket No. SE-20/$40 (T)

1:30 to 3 PM Sheraton New Orleans, Nottoway

6 to 9 PM Bourbon Orleans, 717 Orleans St.

Division Officers Caucus (NT)

ENVR Social Hour & Dinner/Ticket No. SE-21/$80 (T)

3:30 to 5 PM Hilton New Orleans Riverside, Port Office of Local Section Activities Local Section Officers & Tour Speakers Reception with Hospitality Awards (NT)

4 to 6 PM Sheraton New Orleans, Bayside Ballroom A/C Division Councilor Caucus (NT)

5 to 6 PM Hilton New Orleans Riverside, Port University of California, Los Angeles, Chemistry & Biochemistry Social Event (NT)

5 to 7 PM Morial Convention Center, La Louisiane Ballroom A/B PROF Henry Hill Award Reception (NT)

5 to 7 PM Hilton New Orleans Riverside, Belle Chasse BIOL Poster Session & Social Hour (NT)

5 to 7 PM Morial Convention Center, Hall A District I Councilor Caucus (NT)

5:30 PM to 7 PM New Orleans Marriott on Canal, Balcony N

6 to 10 PM Muriel’s Jackson Square, 801 Chartres St. FUEL/PETR Joint Dinner/Ticket No. SE22/$45 (T)

6:30 to 9:30 PM The Plimsoll Club, 2 Canal St., 30th Floor 2008 ACS Awards Banquet Ceremony & General Meeting of the Society/Ticket No. SE-23/$125 (T)

6:30 to 10 PM The Sugar Mill, 1020 Convention Center Blvd. Dinner begins at 7:30 PM; the general meeting begins at 8:30 PM. Gabor A. Somorjai will deliver the Priestley Medal address during the general meeting.

6:30 to 8 PM The Plimsoll Club, 2 Canal St., 30th Floor

ACS/AIChE Career Fair (B)

8 AM to noon Morial Convention Center, Hall B1 ACS National Exposition Featuring ACS, AIChE & Global Congress on Process Safety Exhibitors (B)

9 AM to 1 PM Morial Convention Center, Halls C & D Treats in the Exposition/Ticket in Registration Credentials (T/B)

10 AM to noon Morial Convention Center, Halls C & D CHAL Drug & Power Luncheon/Ticket No. SE-24/$40 (T)

Noon to 1:30 PM Hilton New Orleans Riverside, Compass BIOL Poster Session & Social Hour (NT)

5 to 7 PM Morial Convention Center, Hall A ENVR Poster Session & Social Hour (NT)

6 to 8 PM Morial Convention Center, Hall A GEOC Poster Session & Social Hour (NT)

COMP Poster Session & Social Hour (NT)



PHYS Poster Session & Social Hour (NT)

INOR Poster Session & Social Hour (NT)



I&EC Incentives & Barriers to Sustainability Poster Session & Social Hour (NT)

I&EC Poster Session & Social Hour (NT)


8 to 10 PM Morial Convention Center, Hall A ORGN Poster Session & Social Hour (NT)

CELL Anselme Payen Award Social Hour & Dinner/Ticket No. SE-19/$50 (T)

SPECIAL & SOCIAL EVENTS are continually updated on the attendee website at www.acs.org/meetings/ national.

8 to 10 PM Morial Convention Center, Hall A WEDNESDAY, APRIL 9

MEDI/ORGN Poster Session & Social Hour (NT)

7 to 10 PM Morial Convention Center, La Louisiane Ballroom C THURSDAY, APRIL 10

PMSE/POLY Poster Session & Social Hour (NT)

ACS Web Usability Testing (NT)

ACS Web Usability Testing (NT)


7 AM to 7PM Embassy Suites, Julia Suite



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UNDERGRADUATE PROGRAM Chemistry in sports and health— impacting your life every day

Caution: This Program Reveals All!

Expose Yourself to Chemistry at the ACS National Meeting in New Orleans APRIL 6-10, 2008

All events will take place at the Hilton New Orleans Riverside Hotel, with the exception of the Undergraduate Research Poster Session and Sci-Mix, which will be held at the Ernest N. Morial Convention Center. www.acs.org/meetings

SUNDAY, APRIL 6

Undergraduate Hospitality Center !-n0-s(%#"!,,2//-

All undergraduates are invited to the hospitality center to grab breakfast and network with other chemical science students, ACS staff, and program planners.

Graduate School Reality Check

Chem Demo Exchange Cross-Functional Communication Skills for Chemists Workshop n!-s%,-7//$ Session Leader: Maureen Jennings, 3M DDSD Training

This workshop will teach you how to communicate and apply ideas across departmental and functional boundaries in the workplace.

n!-s"%,,%#(!33%

A panel of graduate students, faculty, industry representatives, and university recruiters will discuss graduate school in the chemical sciences: how to get in, how to stay in, and graduate. Co-sponsored by the ACS Younger Chemists Committee.

Morning Tea with Graduate School Recruiters !-n.//.s(%#"!,,2//-

Meet representatives from graduate schools who will share information about their institutions’ graduate programs. Tea and snacks will be served.

!-n.//.s'2!.$"!,,2//-"

Student Affiliates chapters will share how they incorporate ordinary household materials into educational hands-on demonstrations for use in science and outreach activities.

Polymers in Sports and Health n0-s'2!.$"!,,2//-#

“Sports and High Performance Materials”–Jeffrey S. Wiggins “Biodegradable Polymeric Drugs to Treat Injuries” –Kathleen Ulrich “Evolution of Golf Ball Design and Materials” –Robert A. Weiss

Community Outreach Workshop n0-s"%,,%#(!33%

Get the inside scoop on upcoming Chemists Celebrate Earth Day and National Chemistry Week themes; get ideas for activities; get ideas and tips for motivating volunteers. Co-sponsored by the ACS Committee on Community Activities.

Chemistry Survival Guide: Learning How to Learn Chemistry n0-s'2!.$"!,,2//-"

Frustrated by your performance in chemistry classes? Come learn how to learn chemistry.

Careers for Chemists in Public Health n0-s"%,,%#(!33% Facilitator: Hilary Godwin, UCLA School of Public Health, Environmental Health Sciences

Learn how you can impact environmental health and justice and public and global health.

MONDAY, APRIL 7

Undergraduate Hospitality Center !-n0-s(%#"!,,2//-

(SEE SUNDAY LISTING)

Graduate School Recruiting Breakfast n!-s(%#"!,,2//-

Meet with recruiters representing graduate schools throughout the U.S. and learn more about their programs.

Chemistry in Medicine: From Investigation to Implementation n!-s'2!.$"!,,2//-#

“Designing Nanoscale Polymer Carriers for Transdermal Drug Delivery” –Scott M. Grayson “Searching for New Tyrosine Kinase (TK) Tumor Growth Inhibitors” –C. Klein Stevens “Molecular Mechanisms of Lead Poisoning” –Hilary Godwin

Undergraduate Research Poster Session I !-n0-s%2.%34.-/2)!, #/.6%.4)/.#%.4%2 (!,,!

Posters: chemical education, nanotechnology, and analytical, organic, and polymer chemistry.

Undergraduate Research Poster Session II n0-s%2.%34.-/2)!, #/.6%.4)/.#%.4%2 (!,,!

Posters: biochemistry, environmental, inorganic, medicinal, and physical chemistry. Sponsored by the ACS Division of Chemical Education and co-sponsored by the ACS Divisions of Analytical Chemistry, Biochemical Technology, Environmental Chemistry, Medicinal Chemistry, Physical Chemistry, Polymer Chemistry, and Polymeric Materials: Science & Engineering.

Eminent Scientist Lecture n0-s'2!.$"!,,2//-#

Richard B. Silverman, “Drug Discovery: Ingenuity or Serendipity?”

Corporation Associates Reception for Undergraduates n0-s(%#"!,,2//-

Join roundtable discussions on topics including bachelor’s versus master’s degrees; the advantages of co-ops and internships; entering the workforce; women in industry; entering graduate school; and much more.

Student Affiliates Chapter Awards Ceremony

Hosted by the ACS Committee on Corporation Associates.

n0-s '2!.$"!,,2//-!"

This annual ceremony honors chapters for their accomplishments during the 2006-2007 academic year.

Undergraduate Social n0-s '2!.$"!,,2//-#

All undergraduates are invited to attend. Hosted by the Dillard University, Xavier University of Louisiana, and Loyola University SAACS chapters.

Kids and Chemistry Workshop–Characteristics of Polymers n!-s%,-7//$

Get tips on planning and presenting science activities to elementary school children and learn about safety and liability issues.

Sci-Mix/Successful Student Affiliates Chapter Poster Session n0-s%2.%34.-/2)!, #/.6%.4)/.#%.4%2(!,,!

Student Affiliates Chapters will showcase their activities at the largest ACS poster session.

All events are sponsored or co-sponsored by the Society Committee on Education Task Force on Undergraduate Programming. Chair: Etta Gravely, North Carolina A&T State University, Greensboro, NC. Program Chair: Angela Ashton, 3M Pharmaceuticals. Northridge, CA. For more information, contact the ACS Student Affiliates Program, 1-800-227-5558, ext. 4480 or [email protected].

Celebrating 20 Years of Published Research 2007

annivers

ar Published 2008 American Chemical Society

1987

http://pubs.acs.org/CRT Chemical Research in Toxicology was founded by Dr. Lawrence J. Marnett along with Dr. Paul Hollenberg as a bimonthly publication in 1988. The journal moved to monthly publication in 1997, adding Perspectives, Forums, and Communications to the Editor to the full-length articles. In marking the 20th anniversary of Chemical Research in Toxicology, the journal has launched a new website with enhanced functionality and new tools such as graphical abstracts, related author search, related journals and a forward-to-a-friend functionality. The journal has also broadened the scope of molecular toxicology, expanding the definition of toxins to include endogenously generated toxicants rather than just environmental agents. Additionally, the definition of toxicology has been extended to include the study of how endogenous toxicants are involved in the pathogenesis of disease. In concert with the expanded scope, the journal has also added the following new article types: Spotlights: highlights of articles in related journals In This Issue: short digests of articles in the journal Global Perspectives: views of the most important issues in toxicology as they relate to the global community.

“CRT has celebrated 20 years of high-quality publication but is completely focused on the future. We are not sure what that future will look like, but we can be sure that it will be dynamic, challenging, and exciting. We can also be confident that with American Chemical Society support, we will be sufficiently nimble to adapt to new challenges and opportunities for the benefit of our authors, readers, and the toxicology community at large.”

Lawrence J. Marnett, Editor Mary Geddes Stahlman Professor of Cancer Research Professor of Biochemistry, Chemistry, and Pharmacology Director,Vanderbilt Institute of Chemical Biology

Volume 21, 2008, 12 Issues Impact Factor: 3.162 Total Citations: 7,168

Impact Factor and Citation data as reported in the Thomson Scientific Journal Citation Reports®

TOP 10 MOST CITED Chemical Research in Toxicology ARTICLES from 1988–2007 1. Role of Human Cytochrome P-450 IIE1 in the Oxidation of Many Low Molecular Weight Cancer Suspects Guengerich, F. P.; Kim, D-H; Iwasaki, M. (Article); 1991; 4(2); 168-179.

7. Biochemical, Structural, and Functional Properties of Oxidized Low-Density Lipoprotein Esterbauer, H.; Dieber-Rotheneder, M.; Waeg, G.; Striegl, G.; Jüergens, G. (Review); 1990; 3(2); 77-92.

2. Peroxynitrite, a Cloaked Oxidant Formed by Nitric Oxide and Superoxide 8. Structure, Catalytic Mechanism, and Evolution of the Glutathione Koppenol, W. H; Moreno, J. J; Pryor, W. A.; Ischiropoulos, H.; Beckman. J. S. Transferases (Article); 1992; 5(6); 834-842.

3. Oxidation of Toxic and Carcinogenic Chemicals by Human Cytochrome P-450 Enzymes Guengerich, F. P.; Shimada T. (Review); 1991; 4(4); 391-407.

4. Evaluation of the Probe 2',7'Dichlorofluorescin as an Indicator of Reactive Oxygen Species Formation and Oxidative Stress LeBel, C. P.; Ischiropoulos, H.; Bondy, S. C. (Article); 1992; 5(2); 227-231.

5. Oxidative Damage and Tyrosine Nitration from Peroxynitrite Beckman, J. S. (Open Forum); 1996; 9(5); 836-844.

6. Hydroxylation of Chlorzoxazone as a Specific Probe for Human Liver Cytochrome P-450IIE1 Raimund, P.; Böcker, R.; Beaune, P. H.; Iwasaki, M.; Guengerich, F. P.; Yang, C. S. (Article); 1990; 3(6); 566-573.

Armstrong, R. N. (Review); 1997; 10(1); 2-18.

9. Reactions of the Bioregulatory Agent Nitric Oxide in Oxygenated Aqueous Media: Determination of the Kinetics for Oxidation and Nitrosation by Intermediates Generated in the NO/O2 Reaction Wink, D. A.; Darbyshire, J. F.; Nims, R. W.; Saavedra, J. E.; Ford, P. C. (Article); 1993; 6(1); 23-27.

10. Role of Quinones in Toxicology Bolton, J. L.; Trush, M. A.; Penning, T. M.; Dryhurst, G.; Monks, T. J. (Review); 2000; 13(3); 135-160. ______________________________________________________

View listing of the top 20 most-cited articles and top 20 most prolific authors on the CRT 20th Anniversary website at http://pubs.acs.org/acs/crt/anniversary

235TH ACS N AT I O N A L M E E T I N G N E W O R L E A N S, L A 29 Divisions, 1 Secretariat, 4 Committees and ACS President Bruce Bursten will host original programming across 801 half-day sessions.

National Meeting Theme:

155 sessions organized by 16 divisions, including 59 ACS/AIChE co-sponsored sessions and featuring the ACS/AIChE Joint Presidential Keynote Symposium Energy Research: Future Challenges and Opportunities

Multidisciplinary Focus Area:

NANOTECHNOLOGY 94 sessions organized by 12 divisions

ACS Careers ACS 235th National Meeting

ACS/AIChE CAREER FAIR April 6 – 9, 2008 • 8:00 AM – 5:30 PM • Hall B1, Ernest Morial Convention Center • New Orleans, LA re you interested in speaking with employers to discuss employment opportunities? Perhaps you would like to brush up on your interviewing skills, find out how to write a winning résumé, or get valuable information on various career management and development topics. The ACS/ AIChE Career Fair can provide all of these things and more!

A

Employment Services The ACS/AIChE Career Fair at the 235th National Meeting in New Orleans will offer employment services in Hall B1 of the Morial Convention Center, Sunday, April 6 through Tuesday, April 8 from 8 AM to 5:30 PM, and on Wednesday, April 9 from 8 AM to 12 PM. Job seekers and employers will be provided a venue to meet and discuss job opportunities. The Career Fair is open to ACS members and national and student affiliates. All job seekers and employers must sign up online at www.acs.org/careers February 11 – April 9 to participate. Job Seeker Sign-Up. The Career Fair database allows job seekers to sign up and manage their account, keep track of changes to their schedule, and communicate with employers, completely online.

Employer Sign-Up. The Career Fair database allows employers to sign up and manage their accounts, schedule interviews, and keep track of schedule changes completely online. Using the database, employers can:

Maintain a personal calendar. Search résumés across a number of criteria. Set up interviews. Send/receive email. Have notices sent to their private email account.

Using the database, job seekers can:

Track interview activity.

Maintain a personal calendar.

Collect statistics on postings and interviews.

Search job postings by field of specialization, work function,

Sign up for the ACS/AIChE Career Fair by March 4 and receive a 10% discount when you book your recruitment ad in C&EN’s March 17 Final Program issue. Organizations receive 20% off display and text recruitment ads in the C&EN Classifieds.

education level, or employer.

Request interviews. View interviews scheduled by employers. Have notices sent to a personal email account. Get information about jobs and employers before the meeting. Please note: Job seekers who sign up by March 21 will receive a confirmation packet which will include their yellow Career Fair ID card prior to the national meeting. Those who sign up after March 21 must pick up their ID card at the Career Fair Information Booth located in Hall B1 of the Convention Center.

All job seekers must register for the National Meeting. A National Meeting registration badge must be visible to enter all Career Fair areas. Members who have had their membership status changed to receive a 2008 unemployment dues waiver and enter their membership number during registration are eligible for a waiver on registration fees for the National Meeting. Questions about your membership status should be directed to ACS Member and Subscriber Services at (800) 333-9511 (U.S. only); (614) 447-3776 (outside the U.S.); or email: [email protected].

Employers who sign up by March 21 will receive a confirmation packet containing their blue Career Fair ID card prior to the National Meeting. Those who sign up after March 21 must pick up their ID card at the Career Fair Information Booth located in Hall B1 of the Convention Center. For additional information, please visit www.acs.org/careers.

Other Career Resources The Career Fair also provides one-on-one career assistance and a variety of professional and career development workshops to enhance your career potential.

One-on-One Career Assistance. Individual half-hour appointments with a career consultant are available for the purpose of reviewing your résumé or CV, conducting practice interviews, and discussing other career-related matters. Please bring a copy of your résumé or CV to all appointments. All sessions with career consultants will be held in Résumé Review/Mock Interview Area of Hall B1. Sign-up will begin at 8 AM on Sunday, April 6. One-on-One Career Assistance is an ACS member-only service.

Brought to you by the American Chemical Society

“I owe a lot to ACS Careers for helping me market myself effectively, prepare for my job search, and find my current academic position.” Anil Mahapatro, Ph.D. Assistant Professor, Norfolk State University Department of Chemistry

Professional Development Workshop Schedule All workshops will be held in Rooms 215 and 216 of the Morial Convention Center. IMPORTANT: Workshop times are subject to change. Please consult the Web version of the workshop schedule www.acs.org/careers or the ACS Career Fair onsite brochure for final workshop times.

Sunday, April 6

Monday, April 7

Tuesday, April 8

Wednesday, April 9

8:00 to 9:30 AM—Mock Interview

8:00 to 9:30 AM—Mock Interview Demonstration. Room 215

8:00 to 10:00 AM—Mock Interview Demonstration. Room 215

8:00 to 9:30 AM—Preparing a CV for

Demonstration. Room 215

8:00 to 11:00 AM—Negotiation Skills for Chemical Professionals. Room 216

8:00 to 9:30 AM—Résumé Prepara-

10:00 to 11:30 AM—Communication Skills for Chemical Professionals. Room 215

1:00 to 2:30 PM—Managing your Career: Résumé Preparation.* Room 215

1:00 to 4:00 PM—First Year on the Job. Room 216

3:00 to 4:30 PM—Managing Your

tion for Recent Graduates.* Room 216

10:00 to 11:30 AM—Finding A Position in Industry. Room 216 10:00 AM to 12:00 PM—Overcoming Barriers: Current Issues Facing Foreign-Born Chemical Professionals. Room 215

1:00 to 4:00 PM—Career Strategies: Critical Steps to Success. Room 215

1:00 to 4:30 PM—Negotiation Skills for Chemical Professionals. Room 216

Career: Effective Interviewing Techniques. Room 215

8:00 to 10:00 AM—Starting a Chemical Consulting Business. Room 216 10:00 AM to 12:00 PM—European Commission—Funding Opportunities for Transatlantic Collaborations. Room 215

10:00 AM to 12:00 PM—Communication Skills for Chemical Professionals. Room 216

1:00 to 2:30 PM—Résumé Preparation for Recent Graduates.* Room 215

Chemical Professionals. Room 215

8:00 AM to 12:00 PM—First Year on the Job. Room 216

10:00 AM to 12:00 PM—Communication Skills for Chemical Professionals. Room 215

1:00 to 2:30 PM—Which Path Should I Take: Industry or Academia? Room 215

1:00 to 5:30 PM—Chemical Technology Advancement and Enhancement. Room 216

3:00 to 4:30 PM—Résumé Preparation for Recent Graduates.* Room 215

1:00 to 4:00 PM—Navigating the Federal Employment Process. Room 216

5:00–6:30 PM—Managing Your Career: Planning. Room 215

3:00 to 4:30 PM—Writing Excellent Research Proposals. Room 215

* Please bring a copy of your résumé/CV.

Other Career-Related Technical Programming Many ACS committees and divisions sponsor programs related to career development. Please consult the online technical program at www.acs.org/meetings/national or the onsite program distributed during the meeting for locations and final details on this programming.

Sunday, April 6 Entrepreneurship in Polymers for the Energy and the Environment: Tutorial (Sponsored by POLY), Cosponsored by ACS Division of Polymer Chemistry and AIChE Materials Engineering and Sciences Division (Group 8), BMGT, SCHB, CEPA, WCC, ENGENV, and JOINT

Planning for Retirement (Sponsored by SCHB), Cosponsored by CEPA

Entrepreneurship in Polymers for the Energy and the Environment (Sponsored by COMSCI), Cosponsored by ACS Committee on Science (COMSCI) and AIChE Management Division (Group 9), ACS Corporation Associates, BMGT, CHAL, PETR, SCHB, ENGENV, ENVR, PROF, CEPA, TECH, and JOINT

Tuesday, April 8 Partnering for Innovation and Competitiveness: Opportunities for the Chemical Enterprise in Energy and Environment (Sponsored by COMSCI), Cosponsored by ACS Committee on Science (COMSCI) and AIChE Management Division (Group 9), ACS Corporation Associates, BMGT, CHAL, PETR, SCHB, ENGENV, ENVR, PROF, CEPA, TECH, and JOINT

Careers in Chemical Information (Sponsored by CINF), Cosponsored by CHAL, PROF, COMP, CEPA, and WCC

Wednesday, April 9 Equipping the 2015 Chemical Technology Workforce: Applied Chemical Technology Advancement and Enhancement (Sponsored by TECH), Cosponsored by Career Services, CTA, CEPA, PROF, and YCC

ANYL

ANYL Division of Analytical Chemistry I. Warner, Program Chair SUNDAY MORNING Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Perspectives on Transactinides Sponsored by NUCL, Cosponsored by ANYL‡

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 335 Analytical Spectroscopy

M. Lowry, Organizer 1:25 Introductory Remarks. 1:30 1. Applying segmented frequencydomain fluorescence to the study of pyrene association with humic acids. H. M. Marwani, M. Lowry, B. Xing, I. M. Warner, R. L. Cook 1:50 2. Potential dependent organization of three ionic states of p-Aminobenzoic acid on Ag(111). S. K. Shaw, A. Gewirth 2:10 3. Support for the indirect mechanism of urea denaturation of elastin-like polypeptides. L. B. Sagle, X. Chen, V. Litosh, Y. Cho, Y. Zhang, P. S. Cremer 2:30 4. Flow injection systems with spectrophotometric detection for automatic screening of thalassemia. S. K. Hartwell, J. Jakmunee, S. Lapanantnoppakhun, T. Sanguansermsri, K. Grudpan 2:50 Intermission. 3:05 5. Nanohole array sensor as a virology platform. J-C. Yang, D. Larson, J. M. Hogle 3:25 6. Examination of new chemometrics methods to analyze spectral data. M. Scandone, G. Banik 3:45 7. Spectroscopic investigations of enantiomeric recognition using chiral ionic liquids derived from amino acid esters. D. K. Bwambok, H. M. Marwani, V. E. Fernand, S. O. Fakayode, M. Lowry, B. El-Zahab, G. A. Baker, I. I. Negulescu, R. M. Strongin, I. M. Warner 4:05 8. Analytical spectroscopic characterizations of carbonaceous aerosols in the UV, visible and infrared regions. N. A. Marley, J. S. Gaffney, K. L. Kelley, S. Kilaparty Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Perspectives on Transactinides Sponsored by NUCL, Cosponsored by ANYL‡

SUNDAY EVENING Section A Morial Convention Center Hall A General Poster Session

D. J. Phillips and I. Warner, Organizers 7:00–9:00 9. Effects of concentration and headgroups for the assembly of n-alkanethiol selfassembled monolayers on Au(111). A. T. Kelley, J. N. Ngunjiri, J. C. Garno 10. Layer by layer films constructed for simultaneous determination of ascorbic acid and hydrogen peroxide using protein and redox polymers. A. Mugweru, A. K. Wanekaya 11. Low temperature CO oxidation by dendrimer templated NiAu/TiO2 catalysts. B. D. Chandler, C. G. Long

‡ Cooperative Cosponsorship

10–TECH

TECHNICAL PROGRAM 12. Preparation and dielectric properties of Mn-doped Ba0.6Sr0.4TiO3-MgTiO3 composite ceramics. M. Li 13. Using an interface to direct the assembly of cyanometallate networks. D. R. Talham, F. Frye, D. M. Pajerowski, M. F. Dumont, M. W. Meisel 14. Application of PEBBLEs as a novel tool for pH and calcium measurement in Dictyostelium discoideum. J. A. Hellyer, E. Moding, M. G. Brasuel 15. Fluorescence resonance energy transfer based sensors for biomolecules and bioparticles using conjugated polymers. X. Li, P. Kohli, S. Valez 16. Label-free analyte detection using molecular imprints. R. Rajkumar, M. Katterle, A. Warsinke, H. Moehwald, F. W. Scheller 17. Label-free colorimetric detection of gelatinases on nanoporous silicon photonic films. D. Gao, L. Gao, N. Mbonu, L. Cao 18. Separation of long DNA molecules through cleavage of hydrogen bonds under a stretching force. D. Gao, L. Gao, J. Wu, J. Wu 19. Photochemical degradation of UV filter chemicals in surface waters. M. L. Tse, L. A. MacManus-Spencer 20. Synthesis and analytical applications of nanoporous silica-modified-thiol moiety for selective metal binding and extraction. T. M. Abdel-Fattah, M. E. Mahmoud, S. S. Haggag 21. Microwave-assisted extraction combined with microsolid-phase extraction for the extraction of polychlorinated biphenyls from soil. L. Guo, H. K. Lee 22. Rule of retention for sulfonamides in bonded-phase chromatography with ion suppression. W. Hong, W. Yan, W. An Jr., Z. Peng, R. Zeng 23. Synthesis and characterization of temperature-responsive polymer-modified silica containing heparin. R. Dai, W. Wang, Y. Deng 24. Preparation and characterization of temperature-responsive stationary phase for HPLC. R. Dai, W. Wang, H. Wang, Y. Deng 25. Preparation and application of new temperature-responsive materials in HPLC. R. Dai, H. Wu, L. Chen, Y. Deng 26. Preparation and characterization of temperature responsive capillary electrochromatographic column using poly (N-isopropylacrylamide). R. Dai, N. Hu, X. Zhang, Y. Deng 27. Preparation and characterization of temperature-responsive materials containing acetic groups. H. Wu, R. Dai, Y. Deng 28. Development and validation of an HPLC method for determination of amodiaquine hydrochloride. N. Soukhova, J. M. Smeller, A. Martin-Esker, S. Wahab 29. A reversed-phase HPLC method for related compounds and assay of three cyclodextrins. S. X. Tan, M. Liu, A. Martin-Esker, E. Biba, S. Wahab 30. Calmodulin-based nanoporous membranes for protein separation and drug delivery. S. Khatwani, N. Chopra, E. A. Moschou, L. G. Bachas, S. Daunert 31. Protein-based sensing system for hydroxylated polychlorinated biphenyls based on the regulatory protein HbpR. K. B. Turner, P. Pasini, L. G. Bachas, S. Daunert 32. High-temperature HPLC chromatographic reactor approach for investigating the solvolytic stability of a pharmaceutical compound and an investigation of its retention behavior on a C18-modified zirconia stationary phase. P. J. Skrdla, A. Bopra, T. Chasse, T. Wang 33. Deposition of silica gradient in microfluidic channels by the catalytic activity of poly-Llysine. V. Malkoc, H. M. Borteh, D. Hansford 34. Determination of caffeine in environmental wastewater processed at the Dos Rios water treatment plant in Bexar County, Texas. A. Garcia, P. Gonzalez, A. R. Chaudhuri, E. E. Gonzalez 35. Determination of pesticides and semivolatile organo-compounds in river waters and tributaries surrounding the San Antonio, Texas metropolitan area. D. Carrillo, P. Gonzalez, A. R. Chaudhuri, E. E. Gonzalez 36. Characterization of antibody-based chiral stationary phases. E. J. Franco, H. Hofstetter, O. Hofstetter

37. Free-solution separations of DNA sequencing products using transiently attached micelles in capillary electrophoresis. J. W. Schneider, J. M. Savard 38. Influence of crown ethers on sodium dodecyl sulfate micelles in micellular electrokinetic chromatographic separations of nitroaromatic explosives. R. Burks, D. S. Hage 39. Ultrasonic velocity and isentropic compressibility measurements of Cu(I) in tetraalkyl binary organic mixtures at 298,308,318 K. P. Singh, D. Kansal 40. Chromatographic analysis of Ilicicolin H. F. Hong 41. On-column hydrolysis of a sulfonylurea new chemical entity: Potential for analytical artifacts. Y. Ye, M. Nieder 42. Determination of common beta-agonists in pig feed and urine by small-sized capillary electrophoresis with electrochemical detection. J. Ye, W. Wang, Q. Chu 43. Quantifying signal enhancement gained from the use of a dynamic loading electrokinetic injection in μCE. A. L. Dupre, C. J. Seliskar, W. R. Heineman, K. R. Wehmeyer, P. A. Limbach 44. Synthesis and characterization of gold/ conductive-polymer nanotube composites. S. Cho, D. H. Choi, R. Liu, S. B. Lee 45. Preparation of functional magnetic particles and their application in automated DNA extraction. S. Li, N. He 46. Spectroscopic investigations of hyperbranched polymers and comparison to their dendritic counterparts. K. K. Kline, S. A. Tucker 47. Super-stable water-soluble nanoparticles. H. Wu, S. Yang, J. Zhuang, Y. C. Cao 48. Thymoquinone loaded molecular micellemodified poly (D,L lactide-co-glycolide) (PLGA) nanoparticles: Preparation, characterization and in vitro evaluation. G. M. Ganea, S. O. Fakayode, V. E. Fernand, M. Lowry, J. N. Losso, C. F. van Nostrum, I. M. Warner 49. Compound specific imprinted nanospheres for optical sensing. B. K. Lavine, M. Kim, N. Mirjankar, L. Oxenford 50. Synthesis and characterization of copper nanoparticles in aqueous solutions. Y. Liu, A. R. Hight Walker 51. Synthesis of bar-coded magnetic nanotubes for biomolecular separation and analysis. B. He, X. Bai, S. J. Son, S. B. Lee 52. Novel online preconcentration and direct UV detection of toxic metal ions using capillary electrophoresis. A. H. Goldman, C. L. Copper, B. C. Giordano, G. E. Collins 53. Synthesis of silica-supported iron oxide nanoparticles from organometallic dendrimers. E. Mitran, B. Dellinger, R. L. McCarley 54. Temperature-dependent selectivity of PVC membrane sodium selective electrode based on monensin ionophores. E. Zahran, V. G. Gavalas, L. G. Bachas 55. Thiourea derivatives for fluorescence based fluoride sensing. S. Chakraborty, M. A. Tarr 56. Time-based software manages ELSD response across solvent gradients. S. Bullock, J. McConville 57. Use of commercial polymeric fiber for solid-phase microextraction coupled with high performance liquid chromatography for the analysis of parabens in water samples. T. M. Hii, C. Basheer, H. K. Lee 58. Using parallel factor analysis of Excitation Emission Matrices (EEMs) to characterize novel biological fluorophores. S. M. Reed, S. E. Masta, M-T. Do 59. Writing nanoscale patterns of self-assembled monolayers using AFM-based lithography. K. Liu, J-R. Li, J. C. Garno 60. Measurement of oxygen concentration through fluorescence. L. M. Locantro 61. Synthesis of magneto-optical nanostructures for surface-enhanced Raman scattering. D. Finley, M. Holt, S. R. Emory 62. Magnetic core-shell nanoparticles for surface-enhanced Raman scattering spectroscopy. M. Holt, D. Finley, S. R. Emory 63. Surface enhanced Raman spectroscopy of adsorption of the liquid crystal 4-npentyl-4’-cyanobiphenyl on silver. H. Yoo, J. E. Pemberton

64. Redox-active liposome delivery agents with controllable stimuli-responsive behavior. J. C. Forsythe, N. Hollabaugh, W. Ong, R. L. McCarley 65. Removing graffiti from Colorado Yule marble using a Nd:YAG laser. S. Miller, J. Church, M. F. Striegel 66. Impact of pH and phosphates in water chemistries during the initial stages of the corrosion of copper surfaces investigated by AFM. B. R. Lewandowski, D. A. Lytle, J. C. Garno 67. Integration of spore-based whole-cell sensing systems into a portable microcentrifuge microfluidic platform. A. Date, P. Pasini, S. Daunert 68. Single-particle characterization of biodiesel emissions. N. M. Brown, D. S. Gross, D. D. Dutcher, H. J. Pagels, M. R. Stolzenburg, A. Bika, L. Franklin, D. R. Kittelson, P. H. McMurry 69. Structure elucidation and quantitative compositional profiling of heparin and heparan sulfate. S. M. Gutierrez, A. K. Korir, J. F. K. Limtiaco, S. L. Eldridge, C. K. Larive 70. Study on separation of 3,4,5-trihydroxy benzoic acid from seeds of longan. R-Q. Huang, Q. Deng 71. Surface enhanced Raman scattering on silver coated HEPA filter. T. Wu, C. Shannon 72. Surface-enhanced fluorescence on silver nanoparticles. A. Roth, T. Shtoyko, I. Gryczynski, E. G. Matveeva, I-F. Chang, Z. Gryczynski 73. Swelling behavior and surface level damage to Kapton during photoresist removal. N. S. Cockrill, P. L. Lang 74. Polystyrene-divinylbenzene (PS-DVB) as a stationary phase in the separation of polycyclic aromatic hydrocarbons (PAHs) by high-performance liquid chromatography. M. Challapalli, A. E. McGowin 75. Preparation of characterization of higher symmetry silsesquioxanes. L. Hu, D. Wang, Y. Song, C. Song, Y. Liu 76. Preparation of porous carbon paste electrode as a novel high sensitive electrochemical sensor. L. Xu, J. Du, N. He 77. Probing metal ion binding sites on DNA using sparfloxacin. A. Gehring, D. Morris 78. Progress toward a microelectrochemical sensor for saxitoxin using saxiphilin c-lobe. P. M. Lewis, I. Fritsch, R. Henry, R. E. Gawley 79. Protein fingerprinting of mitomycin C treated breast cancer cells. J. V. Bleecker 80. Protein footprinting of gelsolin-actin complexes using mass spectrometry. J. A. Pohlheber, F. Ashish, J. Krueger, B. T. Cooper 81. Proteomic analysis of the American alligator (Alligator mississippiensis) serum using 2-D-gel separation and mass spectrometry. L. N. F. Darville, K. K. Murray, M. E. Merchant 82. Quantitative determination of the effect of column packing on dynamic capacity measurement. J. R. Fisher Jr., A. S. Gehris, B. Rosenbaum 83. Rapid determination of methanol in black liquors by full evaporation headspace gas chromatography. H. Li, H. Zhan, S. Fu, M. Liu, X. Chai 84. Plasma shadowgraphy as a diagnostic for laser induced breakdown spectroscopy. M. A. Perez, C. Barnett, S. Wise, J. R. Almirall 85. Obtaining the optimal GaInAsSb LED structure through wet etching. D. L. Watkins, J. T. Olesberg, T. F. Boggess Jr., M. A. Arnold 86. Online determination of copper in steel materials by microchip solvent extraction with isotope dilution ICP-MS method. T. Kagawa, M. Ohno, K. Chikama, T. Seki

Photographing or recording meeting sessions and/or activities other than your own are prohibited at all official ACS events without written consent from ACS.

ANYL 87. Novel method development for analysis of high energy peroxides by direct analysis in real time mass spectrometry. A. J. Pena-Quevedo, S. P. Hernandez-Rivera, R. B. Cody 88. Method for determination of paraquat and diquat in human urine using high-performance liquid chromatography-electrospray ionization tandem mass spectrometry. R. D. Whitehead Jr., M. A. Montesano, N. K. Jayatilaka, D. B. Barr, L. L. Needham 89. Microwave synthesis and AFM characterization of iron(III) nickel nanoparticles. N. Flurry, A. T. Kelley, J. C. Garno 90. Nanomanipulation coupled to nanospray mass spectrometry: Applications to trace fiber analysis. B. L. Walton, N. R. Ledbetter, G. F. Verbeck 91. NMR Structural investigation of chondroitin sulfate oligomer complexed to RANTES. F. Yu, X. Wang, A. Adams, J. H. Prestegard 92. Paint media analysis by gas chromatography mass spectroscopy and infrared spectroscopy. J. Blau, S. Maleki 93. Simultaneous quantification of major volatile species in wine by full evaporation headspace gas chromatography. J. Teng, X. Chai, W. Chu, S. Mo, H. Li 94. Highly sensitive thermo-solvatochromic probes with large two-photon absorption cross sections. C. Huang, J. Fan, Z. Lin, B. Guo, X. Peng 95. A ratiometric fluorescent sensor for phosphates. Y. He, Y. Xu, S. Sun, J. Fan, X. Peng 96. Selective and ratiometric fluorescence sensor for imaging Cd2+ in living cells. J. Du, J. Fan, Z. Lin, B. Guo, S. Sun, X. Peng 97. Investigations of the elastic properties of surfaces using a modified instrument configuration for force modulation AFM. K. L. Lusker, J-R. Li, J. C. Garno 98. Magnetic properties of metal nanoparticles investigated by AFM combined with magnetic sample modulation. W. Serem, A. Varotto, G. Castro, C. M. Drain, J. C. Garno 99. Mass spectrometry based assay for the enzymatic hydrolysis of pseudo-prochiral malonate diesters. D. A. Rosado Jr., C. Nabors, D. S. Masterson 100. Electrocatalytic oxidation and hydrogenation of hydroquinone on well-defined Pd(100) electrode surfaces. D. Li, J. Sanabria-Chinchilla, X. Chen, M. P. Soriaga 101. Electrogenerated chemiluminescence of ruthenium porphyrin complexes. A. Bolin, M. M. Richter 102. Enhanced electrogenerated chemiluminescence in the presence of both fluorinated alcohols and nonionic surfactants. M. M. Richter, D. J. Vinyard, J. Giesen 103. Enhancement of Nd:YAG laser induced breakdown emission of a remote target using a simultaneous carbon dioxide laser pulse. A. R. Ford, T. W. Kutner, S. D. Allen 104. Estimating protein-ligand binding affinity using high-throughput screening by NMR. M. D. Shortridge, K. A. Mercier, D. S. Hage, G. S. Harbison, R. Powers 105. Fluorescence resonance energy transfer (FRET) studies of the effects of POPC vesicle size on GM2-activator protein binding. J. N. Chebukati, Y. Ran, G. E. Fanucci 106. Forensic analysis of single gun powder particle by SPME-GC/NPD (solid phase micro-extraction – gas chromatography/ nitrogen phosphorus detector). G. L. Burleson, J. C. C. Yu 107. Gas-phase ion/ion chemistry and mass spectrometry for determination of alpha-1antitrypsin inhibitor oxidation sites. H. P. Gunawardena 108. Withdrawn. 109. Development of an entangled polymer solution for improved resolution in DNA analysis using a portable microfluidic instrument. S. Boulos, O. G. Cabrices, B. R. McCord 110. Different shape nanomaterials synthesis for biosensor. U. S. Rai, G. K. Darbha, J. Griffin, P. Ray

111. Dynamic effects of Hg2+-induced changes in cell volume. J. Heo, F. Meng, F. Sachs, S. Z. Hua 112. Effect of rigid-rod tethers on quartz crystal microbalance measurements. B. D. Spangler, C. Driggers, B. Reeves, E. S. Tarter 113. Electrogenerated chemiluminescence of 9,10-diphenylanthracene, rubrene, and anthracene in fluorinated aromatic solvents. D. J. Vinyard, M. M. Richter 114. Determination of diphenyl phosphorazidate by HPLC. J-H. Zhao, H-Q. Wu, L-C. Wang, C-Y. Song 115. Determination of mercury levels in fish using single and dual pulse laser induced breakdown spectroscopy. T. M. Mitchell, V. Jain, C. Akpovo, S. Lee, L. Johnson, M. D. Edington 116. Contribution to tar traces measurement in syngas flow by comparison of analytical methods. F. Nozahic, M. Brothier 117. Detecting carbonylated proteins via capillary zone electrophoresis (CZE). H. P. Gunawardena, C. L. Slone 118. Characterization of TNT degradation products during Fenton oxidation in the presence of cyclodextrins. C. W. Jarand, K. Chen, R. B. Cole, D-T. Pham, S. F. Lincoln, M. A. Tarr 119. Capillary zone electrophoresis of intrinsic charge ladders of bovine gelsolin. H. M. Sullivan, F. Ashish, J. Krueger, B. T. Cooper 120. Challenges associated with developing a robust HPLC impurity profile method. F. Bernardoni, A. Abrahim, R. Helmy, S. Marcinko, C. Lee, T. J. Novak, A. Clausen, J. Zang 121. A novel potentiometric method by using a polymeric membrane electrode. H. Guo, X. Liu, W. Qin 122. Characterization of the photochemical degradation products of 2,4,6-trinitrotoluene in seawater. J. R. Denzel, D. W. O’Sullivan, D. J. Luning Prak, M. G. Capel 123. Miniaturized NSET probe for sequence specific HIV-1 virus DNA detection. M. Nittala, H. Yu, P. Ray 124. Ab initio investigation of the vacuum level alignment at MALDI matrix-metal interfaces. O. Ramirez, K. A. Beran 125. Absolute actinometer for singlet oxygen quantum yield determination. N. Gandra, R. Gao 126. Acoustic streaming for accelerated microvolume batch ion exchange. W. F. Paxton, M. J. O’Hara, S. M. Peper, S. L. Petersen, J. W. Grate 127. Advances in dual colorimetric and electrochemical sensors for organophosphorus pesticides. C. De, D. H. Murray, S. O. Obare 128. Analysis and sorption of pharmaceutical compounds to organic-rich wetland soil. J. L. Conkle, C. Lattao, R. L. Cook, J. R. White 129. Bioaccumulation of ultraviolet filter chemicals in Lumbriculus variegatus. S. G. Gorman, L. A. MacManus-Spencer 130. High throughput screening methods for fuel cell electrocatalysts. M. E. Tague, J. Jin, M. Kostylev, J. Gregoire, H. D. Abruña, F. J. DiSalvo Jr., R. B. van Dover, M. Prochaska 131. A selectivity study on the use of caffeine and theobromine imprinted polypyrrole surface electrodes. A. Vinjamuri, S. Burris, D. B. Dahl

MONDAY MORNING Section A Morial Convention Center Rm. 335 Nanomaterials in Analytical Chemistry

M. A. Tarr, Organizer 8:25 Introductory Remarks. 8:30 132. Surface enhanced Raman scattering substrates with controlled morphology and architecture created by biomineralization. H. Shen, B. Sun

8:50 133. Nanomaterials for surface-enhanced Raman scattering based chemical imaging. S. R. Emory, D. Finley, M. Holt, C. Thompson 9:10 134. CTAB stabilized cubic and spherical gold nanoparticles as highly sensitive extrinsic Raman labels (ERLs) for SERS readout in sandwich immunoassays. R. Narayanan, R. J. Lipert, M. D. Porter 9:30 135. Gold nanoparticles for SERS, MALDI, and colorimetric detection of molecules. P. H. Davis, D. J. Hibbard, J. Ebel 9:50 136. Virus-mediated layer-by-layer self-assembly of gold nanoparticles for novel humidity sensing. C. Mao, A. Liu, N. V. G. Abbineni 10:10 Intermission. 10:25 137. Preparation of streptavidin coated cold magnetic nanoparticles using cysteamine. H. Liu, S. Li, N. He, Y. Deng 10:45 138. Label-free attomolar detection of proteins using integrated nanoelectronic and electrokinetic devices. J-R. Gong, W. Lu, G. Zheng, C. M. Lieber 11:05 139. Multifunctional nanoparticle molecular imaging probes. J. J. Hu, J. J. Weingart 11:25 140. Redox-responsive liposomes. R. L. McCarley, W. Ong, N. Hollabaugh, J. C. Forsythe, M. F. Mendoza 11:45 141. Pressure as a route to control pore size of mesoporous silica films synthesized using carbon dioxide. X. Li, B. D. Vogt 12:05 142. Simple fabrication and use of fritless chromatographic microchips packed with reversed-phase silica particles for small-molecule separations. F. A. Gomez, S. Stevens, A. Gaspar, L. Hernandez, M. E. Piyasena Undergraduate Research Poster Session: Analytical Chemistry Sponsored by CHED, Cosponsored by SOCED and ANYL

MONDAY AFTERNOON Section A Morial Convention Center Rm. 335 Nanomaterials in Analytical Chemistry

M. A. Tarr, Organizer 1:25 Introductory Remarks. 1:30 143. Electrical detection of aqueous metal ions with metallic LiMo3Se3 nanowire sensors. M. Allen, F. E. Osterloh 1:50 144. A high throughput nanohole-array based system to monitor multiple binding events in real time. J. Ji, D. N. Larson 2:10 145. Fabrication of chitosan-ZnO nanocomposite film and its application in cholesterol biosensor. R. Khan 2:30 146. Automated high-throughput SNP analysis using magnetic nanoparticles. N. He, H. Liu, S. Li, Y. Deng 2:50 147. Preparation and characterization of covalently linked bacteriophage-nanoparticle networks. H. Zhang, C. Shannon 3:10 Intermission. 3:25 148. Multiplexed bacteria detection by coupling immunomagnetic separation with quantum dot labeling. F. C. Dudak, I. H. Boyaci 3:45 149. Serum and saliva CEA determinations via fluorescent nanoparticles. J. V. Jokerst, A. Pollard, J. T. McDevitt 4:05 150. Aptasensor for protein detection: Optimization of parameters for high performance aptamer sensor. B. Subramanian, A. Obubuafo, R. L. McCarley, S. A. Soper, D. A. Spivak 4:25 151. Size resolution and chemical detection of water soluble polymers with nanopore conductance spectrometry. J. W. F. Robertson, B. J. Nablo, V. M. Stanford, O. V. Krasilnikov, C. G. Rodrigues, J. J. Kasianowicz 4:45 152. Nanoparticle template focusing of the size, distribution, and shape of viral capsids. S. E. Aniagyei, B. Dragnea 5:05 153. Withdrawn.

ADAPT’ing to Retirement: A Symposium Honoring Peter C. Jurs Sponsored by CINF, Cosponsored by COMP, PROF, and ANYL

MONDAY EVENING Section A Morial Convention Center Hall A Sci-Mix

D. J. Phillips, Organizer 8:00–10:00 26, 36, 51-52, 58-59, 61, 63, 71, 74, 89-90, 95-96, 98, 100, 109, 122, 124, 127. See previous listings.

TUESDAY MORNING Section A Morial Convention Center Rm. 335 Environmental Chemistry Cosponsored by ENGENV

R. L. Cook, Organizer 8:55 Introductory Remarks. 9:00 154. Identification of volatile organic compounds from the air above chlorinated indoor swimming pools and jacuzzis. Y. Barrera, A. Blackmon, C. Neino, J. Vargas 9:20 155. Investigation of the binding of perfluorocarboxylates to a model serum protein: A comparison of analytical methods. L. A. MacManus-Spencer, M. L. Tse, H. Bischel, R. G. Luthy 9:40 156. Analysis of organic aerosol constituents using high resolution ESI-MS: Solvent-analyte reactions and selection of appropriate solvents. A. Bateman, M. Walser, Y. Desyaterik, J. Laskin, A. Laskin, S. Nizkorodov 10:00 157. Gamma-counting of atmospheric aerosol samples with high carbonaceous aerosol loadings: Observations of radon collection and short-lived daughters. J. S. Gaffney, N. A. Marley, G. Gunawan, M. J. Tackett 10:20 Intermission. 10:35 158. Analysis of select pharmaceuticals in municipal wastewater and receiving waters in the area of Montreal, Canada. A. García-Ac, S. Sauve, C. Gagnon, P. A. Segura 10:55 159. NMR studies on the aqueous phase photochemical degradation of TNT. K. Thorn, L. G. Cox 11:15 160. Utilizing 19F NMR to dynamically monitor the association of (R) and (S) 1,1’-bi-2-naphthol bis(trifluoromethanesulfonate) with humic acid. H. M. Marwani, M. Lowry, S. O. Fakayode, I. M. Warner, R. L. Cook 11:35 161. Photochemistry and surface binding of acetone and other VOCs for the remediation of indoor air pollution studied by chemical ionization mass spectrometry. A. M. Buchbinder, C. M. Schmidt, E. Weitz, F. M. Geiger George C. Pimentel Award in Chemical Education: Symposium in Honor of Richard N. Zare: Intersystem Crossing in Chemical Education Sponsored by CHED, Cosponsored by PHYS and ANYL

The official technical program for the 235th National Meeting is available online at oasys2.confex.com/acs/235nm/ techprogram/.

TECH–11

TECHNICAL PROGRAM

ANYL/BIOT/BIOL TUESDAY AFTERNOON Section A Morial Convention Center Rm. 335 Mass Spectrometry

K. K. Murray, Organizer 1:25 Introductory Remarks. 1:30 162. High performance mass spectrometry: Fourier transform ion cyclotron resonance at 14.5 Tesla. T. M. Schaub, C. L. Hendrickson, J. P. Quinn, A. G. Marshall 1:50 163. FT-ICR-MS cell with linear excitation/detection and no net magnetron motion. J. R. Scott, D. D. Dahl, T. R. McJunkin 2:10 164. Multianalyte quantification of five sesqui- and ethyl ether (T) oxy-mustard metabolites in human urine by liquid chromatography-atmospheric pressure chemical ionization tandem mass spectrometry. D. H. Ash, S. W. Lemire, S. C. McGrath, L. G. McWilliams, J. R. Barr 2:30 165. Selective nanomaterials for biological mass spectrometry. E. T. Castellana, D. H. Russell 2:50 Intermission. 3:05 166. Bioaerosol ion mobility mass spectrometry of complex mixtures of biological agents. J. M. Hayes, K. K. Murray, M. P. Tolocka, M. V. Ugarov, J. A. Schultz 3:25 167. Melanoma biomarker discovery via differential proteomics of secreted proteins. M. Rajesh, C. Marshall, A. Riker, L. Shevde, R. Samant, L. Pannell 3:45 168. Practical application of CE-MS of carbohydrates using borate-based electrolytes. J. T. Smith, A. Privett 4:05 169. MALDI-TOFMS on (synthetic) macromolecules: From automation and the discovery of new matrices to MS/MS. U. S. Schubert, T. Erdmenger, N. Herzer, M. A. R. Meier, N. Adams, A. Baumgaertel, M. Gottschaldt George C. Pimentel Award in Chemical Education: Symposium in Honor of Richard N. Zare: Intersystem Crossing in Chemical Education Sponsored by CHED, Cosponsored by PHYS and ANYL

WEDNESDAY MORNING Section A Morial Convention Center Rm. 335 Directed Assemblies Using Surface Templates Cosponsored by AIChE Materials Engineering and Sciences Division (Group 8)

M. Z-C. Hu and S. V. Olesik, Organizers 8:25 Introductory Remarks. 8:30 170. Cold zone annealing of block copolymers on topographically patterned substrates. B. C. Berry, R. L. Jones, A. Karim 8:50 171. Templated nanoscale magnetic materials: Near-field phase shift photolithography-derived patterns. S. Ye, R. L. Carroll 9:10 172. 1-D Metallic wires by molecular molding. M. Yu, W. Xu, E. Laegsgaard, I. Stensgaard, X. Bouju, A. Gourdon, C. Joachim, T. R. Linderoth, F. Besenbacher 9:30 173. Micellar templates and spectroscopic rulers for synthesis and characterization of site-isolated inorganic catalysts. B. A. Scruggs, S. L. Kilgore, B. H. Shanks, B. D. Chandler 9:50 174. Driving the assembly of anisotropic nanoparticles using liquid crystalline solvents: Insights from computational modeling. F. R. Hung 10:10 Intermission. 10:25 175. 3-D Silica substrates for lipid films: Investigation of lipid modified artificial opals for biomembrane studies. E. E. Ross, M. J. Wirth 10:45 176. Nanostructured interfacial selfassembly of an amyloid-like peptide. P. Guenoun, C. Chevallard, M. Lepère, G. Brezesinski, M. Goldmann, A. H. Muenter

12–TECH

11:05 177. Permanent colloidal assembly via DNA ligation. M. H. Shyr, N. Yonet-Tanyeri, Y. Lu, P. Wiltzius, P. V. Braun 11:25 178. Magnetic AFM imaging using an uncoated silicon-nitride cantilever: A sensitive new approach for mapping magnetic nanomaterials at the nanoscale. J. C. Garno, S. Xu 11:45 179. Peptide-induced patterned calcium molybdate particles characterization and applications. H. M. Borteh, S. Olesik, D. J. Hansford

WEDNESDAY EVENING

New Techniques in Chemical Biology Sponsored by BIOL, Cosponsored by ANYL, MEDI, and BTEC

Morial Convention Center Rm. 335

Sensors for Detection and Quantification of Contaminants in Drinking Water and the Environment Sponsored by ENVR, Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), ANYL, and ENGENV

WEDNESDAY AFTERNOON Section A Morial Convention Center Rm. 335 Directed Assemblies Using Surface Templates Cosponsored AIChE Materials Engineering and Sciences Division (Group 8)

S. V. Olesik and M. Z-C. Hu, Organizers 1:25 Introductory Remarks. 1:30 180. Metal nanoparticle-loaded Al2O3 microtubes by atomic layer deposition on nanofiber composite templates. C. D. Saquing, Q. Peng, G. N. Parsons, S. A. Khan 1:50 181. Directed assembly of polymers and polymer blends using self-assembled alkanethiols on electon beam lithography patterned templates. M. Wei, L. Fang, J. Lee, S. Somu, X. Xiong, C. Barry, A. Busnaina, J. Mead 2:10 182. A new approach to achieve both high-resolution patterning and desired upright orientation with alkanedithiol selfassembled monolayers on gold. J-J. Yu 2:30 183. Surface modification strategy for controlling the self-assembly of PS-bPMMA in thin films. E. Han, P. F. Nealey, P. Gopalan 2:50 184. Creation and replication of chemically nanopatterned substrates for the directed assembly of block copolymers. S. Ji, C-C. Liu, G. Liu, P. F. Nealey 3:10 Intermission. 3:25 185. Directed assembly of polymer blends on nanoscale patterned self assembled monolayers. J. T. Chiota, J. D. Shearer, J. Lee, M. Wei, C. M. Barry, J. L. Mead 3:45 186. Guiding phase separation in polymer/PCBM films via surface patterning. L. Y. Park, D. S. Ginger Jr. 4:05 187. Nanopatterning using block copolymer derived thin films. H. Arora, J. Hyun, D. Phong, D. Muller, M. Thompson, U. Wiesner 4:25 188. Selective intercalation of functionalized nanoparticles into diblock copolymers. A. N. Mangham, D. Goel, H. Kang, P. F. Nealey, R. J. Hamers Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Actinide Separation Methods from Microscale to Industrial Scale Sponsored by NUCL, Cosponsored by ANYL‡ Sensors for Detection and Quantification of Contaminants in Drinking Water and the Environment Sponsored by ENVR, Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), ANYL, and ENGENV

Please refrain from using cellular telephones and cameras during technical sessions.

Sensors for Detection and Quantification of Contaminants in Drinking Water and the Environment Sponsored by ENVR, Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), ANYL, and ENGENV

THURSDAY MORNING Section A

Analytical Separations

S. O. Fakayode, Organizer 8:25 Introductory Remarks. 8:30 189. Chromatographically enriching identical (n, m) carbon nanotubes. W. Zhao, X. Tu, L. Zhang, S. Zaric, X. Li, H. Dai 8:50 190. Fast, efficient separations of large dsDNA molecules by microchip electrophoresis. M. Sun 9:10 191. Field flow fractionation of single wall carbon nanotubes using crossflow and electrophoresis. B. J. Bauer, J. Chun, J. A. Fagan, E. K. Hobbie 9:30 192. GC-MS analysis of ring and side chain regioisomers of ethoxyphenethylamines. C. R. Clark, T. Awad, J. DeRuiter 9:50 193. Protein separations using polyelectrolyte multilayer coatings with molecular micelles in open tubular capillary electrochromatography. C. A. Luces, S. O. Fakayode, M. Lowry, I. Warner 10:10 Intermission. 10:25 194. Retention mechanisms in reversed-phase liquid chromatography using octadecyl silane and polar-embedded bonded phases: A molecular perspective. J. L. Rafferty, J. I. Siepmann, M. R. Schure 10:45 195. Room temperature UV adhesive bonding of CE devices. S. Carroll, R. P. Baldwin, M. M. Crain, K. Walsh 11:05 196. Silica-modified-amine and choline chloride derivatives for dual removal and selective extraction of toxic heavy metal cations and metal oxynions. M. E. Mahmoud, T. M. Abdel-Fattah Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Perspectives on Actinides Sponsored by NUCL, Cosponsored by ANYL‡

BIOL Division of Biological Chemistry T. P. Begley, Program Chair SUNDAY MORNING RNA as a Drug Target Sponsored by CARB, Cosponsored by BIOL, MEDI, and ORGN Ronald Breslow Award for Achievement in Biomimetic Chemistry: Symposium in Honor of Joanna Aizenberg Sponsored by ORGN, Cosponsored by WCC and BIOL

MONDAY AFTERNOON Section A Morial Convention Center Rm. 230 Young Academic Investigators Cosponsored by MEDI and BTEC

T. Begley, Organizer 1:30 1. DNA based strategies for the identification of new natural products. S. F. Brady 2:00 2. Synthesis of well-defined proteinpolymer hybrid materials for applications in nanobiotechnology. H. D. Maynard 2:30 3. Probing real-time transient protein interactions at the single-molecule level with nanovesicle trapping. P. Chen 3:00 4. Tryptophan oxygenation: Why the catalytic cofactors employed in the enzymes are unique. A. Liu 3:30 5. Halogenation of unactivated carbon centers in natural products biosynthesis. D. P. Galonic 4:00 6. Directed evolution of nucleoside analog kinases via fluorescence activated cell sorting. S. Lutz 4:30 7. Molecularly controlled dynamic surfaces for spatio-temporal studies of cell growth, migration and cell adhesion memory. M. N. Yousaf 5:00 8. Peptidic reagents for targeted treatment and diagnosis of non-small cell lung cancer. K. Brown ACS Award in Pure Chemistry: Symposium in Honor of Rustem F. Ismagilov Sponsored by ORGN, Cosponsored by BIOL

THURSDAY AFTERNOON Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Magnetic Resonance Techniques Sponsored by NUCL, Cosponsored by ANYL‡

BIOT

Metals in Health and Disease Sponsored by INOR, Cosponsored by BIOL Undergraduate Research Poster Session: Biochemistry Sponsored by CHED, Cosponsored by BIOL, BIOT, and SOCED

TUESDAY MORNING Section A

Division of Biochemical Technology


MONDAY AFTERNOON

Frontiers in Chemical Biology Cosponsored by MEDI and BTEC

Undergraduate Research Poster Session: Biochemistry Sponsored by CHED, Cosponsored by BIOL, BIOT, and SOCED

T. P. Begley and J. T. Stivers, Organizers

WEDNESDAY AFTERNOON

9:00 9. Beta-peptide inhibitors of a novel model of the SARS-CoV prefusion complex. D. A. Guarracino, A. Schepartz 9:20 10. Click chemistry for identification of the targets of (R)-lacosamide. S. W. Cotten, K. D. Pak, J. P. Stables, H. Kohn, R. Liu 9:40 11. Engineering bacteria to chase small molecules. J. P. Gallivan 10:00 12. Metabolic expansion via designed enzyme recruitment. B. G. Miller

Recent Innovations in the Production of Sugar and Fuel Alcohol from Sugarcane and Sugarbeet in Memory of Margaret A. Clarke Sponsored by CARB, Cosponsored by BIOT, BTEC, and ENGENV


WEDNESDAY MORNING Recent Innovations in the Production of Sugar and Fuel Alcohol from Sugarcane and Sugarbeet in Memory of Margaret A. Clarke Sponsored by CARB, Cosponsored by BIOT, BTEC, and ENGENV

BIOL 10:20 13. Selecting RNA loop-ligand interactions via microarray. M. D. Disney 10:40 14. Selective chemical intervention in plants with small molecule herbicide safeners. K. M. Evans, M. Brazier-Hicks, D. R. W. Hodgson, P. G. Steel, R. Edwards 11:00 15. Signal transduction mechanisms in integrins and receptors for advanced glycation end products. E. Smith 11:20 16. The cell migration protein Grb7 associates with the transcriptional regulator FHL2. B. Lyons 11:40 17. The MYST histone acetyltransferase TIP60: Mechanism, fluorescent reporters, and inhibitor discovery. Y. G. Zheng

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 228 Biological Macromolecules Cosponsored by MEDI and BTEC

T. P. Begley and C. S. Chow, Organizers 1:30 18. Evolution of structural basis for substrate recognition across DNA ligases: Insights into DNA repair and inhibitor design. P. A. Nair, S. Shuman 1:50 19. An unusual minimal ribozyme with self-splicing activity: Kinetics and mutations. L. B. Harris, S. O. Rogers 2:10 20. Synthesis and characterization of modified nucleosides in helix 31 of bacterial ribosomes. N. D. Abeydeera, C. S. Chow 2:30 21. Characterization of the interactions of the GM2 Activator Protein with bilayer membrane surfaces. G. E. Fanucci, Y. Ran, J. D. Mathias, J. N. Chebukati, S-A. Y. Benjamin 2:50 22. Ligand induced conformation of Estrogen Receptor alpha: New insights from spin labeling of Helix-12 region. S. V. Gulla, R. N. Hanson, J. A. Hendricks, D. E. Budil 3:10 23. RhoBo and CyBo: Serine-selective nontoxic alternatives to FlAsH and ReAsH. T. L. Halo, E. M. Hobert, J. A. Appelbaum, A. Schepartz 3:30 24. Enzymatic synthesis of homogeneous N-linked glycoproteins for the study of glycoproteins of the immune system. T. J. Tolbert, M. Pawlicki, J. Xiao, B. S. Hamilton, A. M. Kukuch, J. Yin, R. Chen 3:50 25. Peroxisome biogenesis disorders: Peroxisomal targeting signal-1 binding to Pex5-C. D. Ghosh, E. L. Maynard, J. M. Berg 4:10 26. Secreting spider silk in salmonella. D. M. Widmaier 4:30 27. Award Address (Nobel Laureate Signature Award for Graduate Education in Chemistry, sponsored by Mallinckrodt Baker, Inc). Aggregation diseases. R. Nelson, D. Eisenberg

TUESDAY EVENING Section A Morial Convention Center Hall A Poster Session

T. P. Begley, Organizer 5:00–7:00 28. Efficient synthesis of enantiopure (S)-4(trimethylsilyl)-3-butyn-2-ol via asymmetric reduction of 4-(trimethylsilyl)-3-butyn-2-one with immobilized Candida parapsilosis CCTCC M203011 cells. B-B. Zhang, W-Y. Lou, M. H. Zong, H. Wu


29. Liquid-liquid phase separation of protein solutions: Examination of macromolecular crowding and protein oligomerization effects. Y. Wang, O. Annunziata 30. Withdrawn. 31. Probing phospholipid induced ␣-synuclein aggregation with tryptophan fluorescence. C. M. Pfefferkorn, J. C. Lee 32. 2’-N-(Pyren-1-yl)carbonyl-2’-amino-LNA (locked nucleic acid): A versatile label for nucleic acid detection. M. E. Østergaard, J. Maity, J. Wengel, P. J. Hrdlicka 33. A computational study of the flap dynamics of HIV-1 protease subtype B vs. C. T. D. McGee Jr., J. Edwards III, A. Roitberg 34. Withdrawn. 35. Accumulation of a tetrahedral intermediate in Cholinesterase catalysis as probed by secondary isotope effects. J. R. Tormos, D. Quinn 36. Acid-base chemistry of clay nanoparticles for supporting myoglobin electroactivity. F. Amoako 37. Actin-binding studies of new natural product oxalatrunculin B, latrunculin B, and two semisynthetic analogs of the latrunculin class. J. J. Bowling, S. A. Ahmed, P. R. Daga, S. Odde, M. K. Mesbah, D. T. Youssef, S. Kudrimoti, S. I. Khalifa, R. J. Doerksen, M. T. Hamann 38. Analysis of the emulsan complex: Discovery of the Acinetobacter venetianus polyelectrolyte (APE) polysaccharide. M. Mercaldi, A. P. Joyce, H. Dams-Kozlowska, B. Panilaitis, D. L. Kaplan 39. Antimicrobial peptide interactions with supported biomimetic membranes on mesoporous silica. R. W. Davis, L. A. Meyer, M. Van Benthem, H. D. T. Jones, S. M. Brozik, D. M. Haaland, M. B. Sinclair 40. Application of structure-based design techniques to the discovery of dipeptidyl peptidase-4 inhibitors. B. P. Lam 41. ArcA regulates the transcription of base excision repair genes. B. S. Khurshid 42. Assembly of proteorhodopsin for the development of bioinspired energy devices. C. K. Nguyen, J. M. Ingram, L. E. Richardson, R. L. Comitz, G. D. Stucky 43. Automated synthesis of hyaluronic acid and keratan fragments. B. Y. M. Collet, N. L. Pohl 44. Basis of additivity in ligand binding: Matrix metalloproteinase-3. E. M. Wilfong, Y. Du, E. J. Toone 45. Biochemical tuning by N-terminal carboxylates in the L5 loop of human Eg5 kinesin. S. Kim, S. Sebring, R. Buckley, E. Wojcik, R. Walker 46. Bioelectrocatalysis of ethanol, lactate, and pyruvate employing PQQ-dependent dehydrogenases. B. L. Treu, S. D. Minteer 47. Biological delivery mediated by the polyelectrolyte polysaccharide from Acinetobacter venetianus. B. Panilaitis, M. Mercaldi, M. J. Curtis, D. L. Kaplan 48. Biotransformations in polyester fibers. A. O’Neill, R. Araujo, M. Casal, A. Cavaco-Paulo 49. Characterization of the role of the human RECQ1 helicase in DNA damage repair. E. A. Feyissa, Y. Liu 50. Comparative study of important representatives of clostridial collagenases. U. Eckhard, P. Ducka, E. Schoenauer, D. Nuess, H. Brandstetter 51. Conformational change detected using asymmetric flow field-flow fractionation in a monoclonal antibody upon binding to its ligand. M. B. Henry, Y-S. Gao, R. C. Blake II, D. A. Blake 52. Conjugation and immobilization of proteins, peptides and oligonucleotides mediated by a stable bis-arylhydrazone based on 6-hydrazinonicotinic acid. D. Schwartz, C. Miller, J. Williams, L. Mendoza, J. McDonald 53. Conjugation of type I antifreeze protein to a polyamine. N. B. Holland, Ö. Can 54. Control of protein adsorption on the mixed polymer brushes: Tirf and ellipsometry studies. O. Hoy, B. Zdyrko, R. Burtovyy, R. Lupitskyy, S. Minko, I. Luzinov

55. Converting a cofactor site to a substrate site: Identifying the Fe ligands that control Fe2+/O2 catalysis in ferritin. T. Tosha, E. C. Theil 56. Cyclic chloracetamides and target identification. M. T. Vuong 57. Design and synthesis of amine and ketone inhibitors of PIN1. G. G. Xu, F. A. Etzkorn 58. Development of a high-throughput enzymatic assay for Mycobacterium tuberculosis antigen 85C. J. Boucau, A. K. Sanki, S. J. Sucheck, D. R. Ronning 59. Development of new chemical methods for residue specific peptide cleavage using ESI MS. D. S. Masterson 60. Divergent evolution of function in the ROK sugar kinase superfamily: Role of enzyme loops in substrate specificity. M. Larion, L. Moore, S. Thompson, B. G. Miller 61. Efficient asymmetric reduction of 4⬘-methoxyacetophenone catalyzed by immobilized Rhodotorula sp. AS2.2241 cells in an ionic liquid-based biphasic system. W. Wang, W-Y. Lou, M. H. Zong 62. Engineering photosynthesis in Escherichia coli: Pigment production and beyond. H. M. Salis, Z. Li, K. K. Niyogi, C. A. Voigt 63. Excluded volume effects upon protein stability in covalently crosslinked proteins with variable linker lengths. Y. H. Kim, W. E. Stites 64. Fractals in protein crystallization. R. B. Nellas, S. J. Keasler, B. Chen 65. Genetically engineered protein films on the quartz crystal microbalance: A biosensor for the detection of xenoestrogens. L. A. Luck, A. W. Layhee, D. J. Abramowitz, L. J. Standley, R. A. Rudel 66. Genome-scale classification of enzymatic reactions and pathways with self-organizing maps. J. M. Aires-de-Sousa 67. How subunit coupling produces the ␥-subunit rotation in F1-ATPase: Insights from simulation. J. Pu, M. Karplus 68. Identification, functional expression and kinetic characterization of two GDP-Lfucose biosynthetic enzymes from Ganoderma lucidum. H-T. Chiu, C. C. Wu, S-J. Deng, P-N. Huang 69. Imaging hydrogen peroxide by peroxalate chemiluminescence. K. Kundu, D. Lee, N. Murthy 70. Insight into amino acids important for glutathione conjugate transport by RLIP76. D. Wickramarachchi, S. Yadav, J. Singhal, S. S. Singhal, S. Awasthi 71. In vitro characterization of the phosphoramidate-forming enzyme from the microcin C7 biosynthetic pathway. R. F. Roush, E. M. Nolan, C. T. Walsh 72. Interaction of anthracyclines with iron responsive element mRNAs. J. C. Canzoneri, A. K. Oyelere 73. Investigating the cellular internalization mechanisms of nonviral poly(glycoamidoamide) gene delivery vehicles: Interactions with the cell surface and pathway of endocytosis. P. M. McLendon, T. M. Reineke 74. Investigating the folding of a death domain protein and hydrophobic core formation. H. Li, L. Greene 75. Investigating the functional basis for specificity in protein farnesyltransferase. J. L. Hougland, E. A. Zverina, C. A. Fierke 76. Investigations of agonist-receptor cation-␲ interactions in cys-loop ligand gated ion channels. A. P. Hanek, N. L. Puskar, X. Xiu, C. Padgett, S. Pless, H. A. Lester, D. A. Dougherty 77. Investigations of the active site of 5,10methenyltetrahydrofolate synthetase from Mycoplasma pneumoniae. A. Hancock, R. Johnson, R. S. Coleman, C. A. Sarisky, T. W. Johann 78. Ligand binding in glutamate receptors: A functional probe of the clamshell model. K. A. McMenimen, D. A. Dougherty 79. Loading and formation of a MCM helicase DNA complex in sulfolobus solfataricus. M. A. Trakselis 80. Low temperature resonance Raman studies of P. aeruginosa azurin and its Met121 unnatural amino acid analogs. M. Zaczek 81. Withdrawn.

82. Modulation of the catalytic cycle of the complex horseradish peroxidase-cetyltrimethylammonium bromide micelles by the structure of aromatic diimides with photochemical properties. V. A. Soares, R. O. Marcon, S. Brochsztain, O. R. Nascimento, I. L. Nantes 83. Molecular recognition mechanism of a gold binding peptide. U. O. S. Seker, B. R. Wilson, J. S. Evans, C. Tamerler, M. Sarikaya 84. Mutating the buried glutamate-267 in horse liver alcohol dehydrogenase activates the enzyme and locks it in the open conformation. Y. H. Kim, D. S. Gogerty, B. Plapp 85. Neutralizing the toxicity of Alzheimer’srelated {beta}-amyloid fibrils using small molecules. P. Inbar, M. Rubinshtein, L. Habib, P. Prangkio, R. Capone, M. R. Bautista, M. Lee, C. Li, S. Takayama, M. Mayer, J. Yang 86. New ␣-Galactosyl-Binding Protein from the mushroom Lyophyllum decastes: Comparison with other specific ␣-Galactosyl-recognizing lectins. I. J. Goldstein, H. C. Winter, J. Aurandt, L. Confer, J. T. Adamson, K. Hakansson, H. Remmer 87. New insight into the mechanism of intein splicing by NMR. Z. Du, Y. Liu, A. Bengali, G. Belfort, C. Wang 88. Nicotinic acetylcholine receptor gating: Incorporation of subtle mutations studied by single-channel recording and twoelectrode voltage clamp. K. R. Gleitsman, J. A. P. Shanata, S. J. Frazier, W. Limapichat, D. A. Dougherty 89. Novel insights on the reactivity of reduced flavoenzymes with oxygen. G. Gadda, S. Finnegan, H. Yuan, A. M. Orville 90. Novel screening methods for optimized plant based biocatalysts. M. Landrum, I. Cummins, P. G. Steel, R. Edwards 91. Nucleic acid detection using sequenceenabled reassembly. J. L. Furman, C. I. Stains, J. R. Porter, I. Ghosh 92. Oxidative crosslinking of guanine and lysine: Characteristics and consequences of 1-electron oxidation. K. Schaefer, A. Madison, A. Estonactoc, J-L. Padigus 93. Photothermal studies of heme/copper oxidases: Evidence for species dependent conformational changes. R. W. Larsen, J. Miksovska 94. Physicochemical interactions between the major macromolecular components of cartilage matrix. F. Horkay, I. Horkayne-Szakaly, D. C. Lin, E. K. Dimitriadis, C. Silva, P. J. Basser 95. Positional dependence of the thermodynamic stability of RNA single mismatches. A. R. Davis, B. M. Znosko 96. Preparation and characterization of crosslinked hyaluronan nanoparticles. J. Borbely 97. Protein conformational changes in catalysis by protein-tyrosine phosphatases. T. A. Brandão, S. A. Huefner, S. J. Johnson, A. C. Hengge 98. Protein interaction identification in living cells using targeted photoactivatable crosslinkers. M. U. Mayer, P. Yan, T. C. Squier 99. Purine biosynthesis in archaea: Variations on a theme. C. A. Sarisky, R. H. White 100. Random walks to synthetic riboswitches: A high-throughput selection based on E. coli motility. S. Topp, J. P. Gallivan 101. Real-time investigation of SV40 T-antigen helicase activity using SPR. W. M. David, J. Karr, J. Brennan, K. Jasheway, S. M. Kerwin 102. Recruitment of promiscuous Escherichia coli dehalogenases for the degradation of bromoacetic acid. K. K. Desai, B. G. Miller 103. Redox-sensitive green fluorescent protein: Probes for dynamic intracellular thiol redox events. M. B. Cannon, S. J. Remington 104. RNA as a target for anticancer compounds. V. J. DeRose, A. Hostetter, E. Chapman, C. Welsh 105. Role of central hydrogen-bonding network interdomain residues in catalaseperoxidase bifunctionality. C. O. Cook, D. C. Goodwin

TECH–13

TECHNICAL PROGRAM

BIOL 106. Screening for stable pore-forming peptides designed to mimic ß-barrel proteins. A. J. Krauson, W. C. Wimley 107. Secondary metabolites with antidepressant activity isolated from three Florida sponges. A. J. Kochanowska, K. V. Rao, S. Childress, A. El-Alfy, R. R. Matsumoto, M. Kelly, G. Stewart, K. Sufka, M. T. Hamann 108. Selective, bioorthogonal detection of newly synthesized proteins via click chemistry. S. B. Buck, T. Nyberg, S. T. Clarke, B. J. Agnew 109. Sequence-specific insertion of chemically modified oligonucleotides into RNA substrates via the ribozyme-mediated Trans Insertion-Splicing reaction. S. M. Testa, P. P. Dotson II, K. C. Frommeyer 110. SIRT1 activity: A possible mechanism for t-resveratrol neuroprotection in retina. A. Hamidi, B. Rohrer 111. Solution structures of DNA duplexes containing oxidative cytosine lesions and their removal by DNA glycosylases. V. Thiviyanathan, A. D. Somasunderam, D. E. Volk, T. K. Hazra, S. Mitra, D. G. Gorenstein 112. Specific ion effects on lower critical solution temperature of elastin like polypeptides. Y. Cho, Y. Zhang, P. Cremer 113. Spectrokinetic detection of noncoordinated water entry into the distal heme pocket of photodissociated MbCO. R. M. Esquerra, R. A. Goldbeck, R. A. Jensen, M. L. Pillsbury, R. Liu, J. L. Mendoza, S. Bhaskaran, D. S. Kliger 114. Strategies for the in vitro selection of cofactor-dependent deoxyribozymes. G. Uzcategui, J. Boquin, R. R. Kane 115. Structural characterization of peptoid fibrils. M. Wetzler, R. N. Zuckermann, A. E. Barron 116. Substrate preferences of catechol oxidases from sweet potato and potato. P. J. Stein, M. L. Kading, E. M. Williams, R. M. Baxley 117. Supramolecular 2,3-dihydro-1H-benzo[D]imidazole and zinc(II)-complexes as agents in photodynamic therapy. T. Samarakoon, C. Turro, S. H. Bossmann 118. Surface functionalization of polyamide fibres. C. Silva, R. Araujo, M. Casal, A. Cavaco-Paulo 119. Synthesis and biological activity of multivalent estradiol-peptidomimetic conjugates: A versatile approach for the selective modulation of estrogen receptors. J. M. Holub, K. Kirshenbaum 120. Synthesis of dual imaging probes for the study of angiogenesis. C. A. Valdez, L. B. Krasnova, T. Weide, V. V. Fokin, K. B. Sharpless 121. Withdrawn. 122. Tailoring of a Spirodihydroindolizine as photogate for the channel protein MspA. T. Shrestha, M. Kalita, M. Niederweis, M. Pavlenok, M. Basel, S. H. Bossmann 123. Targeted multiuse affinity probes (MAPs), their properties and application to in vivo and in vitro protein interaction identification. M. U. Mayer, Y. Xiong, H. Cao, P. Yan, T. C. Squier 124. Technical implications from the conformation of peptide neck domains. A. Cavaco-Paulo 125. The effect of oxidative stress on the levels of tRNA modifications. P. M. Palenchar 126. The elusive role of nuclear copper: Live cell imaging and X-ray fluorescence studies. R. L. McRae, B. Lai, S. Vogt, C. J. Fahrni 127. Withdrawn. 128. The role of evolution in tuning environmentally coupled tunneling in enzymes. A. Kohen, E. E. Howell, A. Yahashiri 129. Theoretical and experimental electron affinities: Nucleobases, nucleosides and nitrogen heterocyclic compounds. E. C. Chen, E. S. Chen 130. Thermodynamics of protein-ligand interactions: Carbonic anhydrase as a model system. P. W. Snyder, K. A. Mirica, E. T. Mack, G. M. Whitesides

14–TECH

131. Toward antibody/quantum dot assemblies for early cancer detection. M. Kalita, S. Cingarapu, R. Jankowiak, K. J. Klabunde, S. H. Bossmann 132. Toward the structure of a novel RNA gene. M. R. J. Lares, W. Scott, D. Haussler 133. Transconformational specificity of a Ser-Pro directed kinase. F. A. Etzkorn, S. Zhao 134. Ultrasound-mediated gene delivery in vitro with gas-filled liposome. H. Feng, X. Cheng, M. D. Wang, L. L. Dong, Z. L. Fu 135. Utilizing the long lifetime decay of Tb3+ to observe nucleic acid interconversion rates. M. F. Homsher, B. S. Hudson 136. Visualization of pathogen invasion dynamics and mechanisms at the single cell level using ligand coated microspheres and a FRET reporter. Y-H. Woo, A. B. Artyukhin, C. D. Blanchette, T. Laurence, C. Thomas, T. A. Sulchek, N. Shen, A. Hiddessen 137. VraSR, a two-component system, mediates Staphylococcus aureus response to cell wall damage. D. Golemi-Kotra, A. Belcheva 138. Development of flow based bioassay systems. S. K. Hartwell, P. Kongtawelert, J. Jakmunee, S. Lapanantnoppakhun, K. Grudpan 139. Withdrawn. 140. Solution structure of human blood coagulation factor VIIIa: An all-atom molecular dynamics simulation. D. Venkateswarlu 141. Acid-base chemistry of clay nanoparticles for supporting myoglobin electroactivity and multiconformation continuum electrostatics. F. Amoako 142. Effect of steatosis and TNF on NFkB response of hepatocyte-derived reporter cells. A. V. Janorkar, K. R. King, Z. Megeed, M. Yarmush

WEDNESDAY MORNING Section A Morial Convention Center Rm. 230 New Techniques in Chemical Biology Cosponsored by ANYL, MEDI, and BTEC

T. P. Begley and C. A. Fierke, Organizers 9:00 143. Chemical probes for the identification of ubiqutin ligases. K. R. Love, R. K. Sastry, H. L. Ploegh 9:20 144. Cell-free detection of biological interactions using split-protein reassembly. J. R. Porter, C. I. Stains, B. W. Jester, I. Ghosh 9:40 145. Withdrawn. 10:00 146. High-throughput calorimetry: A dye-binding screen to characterize the thermodynamic properties of protein variants applied to four-helix bundle core packing. T. J. Magliery 10:20 147. Fluorous based peptide synthesis and immobilization in the formation of a protease microarray. T. Nagashima, B. Collet, M. S. Yu, N. L. Pohl 10:40 148. Dynamic titration methods for high throughput noncovalent binding constant. K. Schug 11:00 149. Identification of the human sigma-2 receptor using novel labeling, affinity. C. Bazemore-Walker 11:20 150. Micromass spectrometric analysis of natural products and toxins. P. C. Dorrestein


11:40 151. Real-time observation of stepwise DNA primer extension at the single-molecule level. J. Chu, S. L. Cockroft, M. Amorin, H. Bayley, M. R. Ghadiri

WEDNESDAY AFTERNOON Section A Morial Convention Center Rm. 230 Enzymes and Pathways Cosponsored by MEDI and BTEC

T. P. Begley and J. P. Richard, Organizers 2:00 152. Inducible nitric oxide synthase contributes to biopterin oxidation and protein tyrosine nitration during atherogenesis. R. K. Upmacis, M. J. Crabtree, R. S. Deeb, H. Shen, P. B. Lane, L. E. S. Benguigui, N. Maeda, D. P. Hajjar, S. S. Gross 2:20 153. A novel heterobinuclear manganese/iron cofactor in Chlamydia trachomatis ribonucleotide reductase. W. Jiang, D. Yun, L. Saleh, L. M. Hoffart, E. W. Barr, C. Krebs, J. M. Bollinger Jr. 2:40 154. Self-oxidation of the HIF-asparaginyl hydroxylase. M. J. Knapp 3:00 155. Mechanistic studies on pyridoxal phosphate synthase: The reaction pathway leading to a chromophoric intermediate. J. W. Hanes, K. E. Burns, D. G. Hilmey, A. Chatterjee, P. C. Dorrestein, I. Keresztes, T. P. Begley 3:20 156. Withdrawn. 3:40 157. Detection of intermediates in the synthesis of dTMP by flavin-dependent thymidylate synthase. B. A. Palfey, J. A. Conrad, M. Ortiz-Maldonado, S. G. Gattis 4:00 158. Structural and kinetic characterization of a retaining glycosyltransferase (MshA) involved in mycothiol biosynthesis. P. A. Frantom, M. W. Vetting, J. S. Blanchard 4:20 159. Structural basis of the substrate specificity of constitutive and inducible kynureninases. R. S. Phillips, S. Lima, S. Kumar, C. Momany 4:40 160. Synthesis of nucleotide analogs by a promiscuous phosphoribosyltransferase. R. A. Scism, D. F. Stec, B. O. Bachmann

WEDNESDAY EVENING Section A Morial Convention Center Hall A Poster Session

T. P. Begley, Organizer 5:00–7:00 161. Biophysical characterization of DNA quadruplexes. C. Cline, K. Scott, C. Antonacci, J. B. Chaires, R. D. Sheardy 162. Study on the catalytic mechanism of nitro compound using horseradish peroxidase. R. Dai, J. Lin 163. Withdrawn. 164. A new ELISA utilizing alcohol oxidase and a latent fluorophore. J. T. Ippoliti, K. A. Leehy, K. Olson, A. J. Johnson 165. Activating mutations in the human Glucokinase gene revealed by genetic selection. P. Pal, B. G. Miller 166. Adenylate-forming enzyme 4-chlorobenzoate CoA ligase/synthetase performs two unique half-reactions using a 140o C-terminal domain alternation. A. S. Reger, R. Wu, D. Dunaway-Mariano, A. M. Gulick 167. Aggregation behavior of sodium taurocholate at submicellar concentrations using a fluorescent phospholipid probe. R. L. Baskin, L. D. Frost 168. Antitumor studies of metal chelates of curcumin. M. D. Wang, X. Cheng, P. Wang, W. K. Su, H. Feng 169. Approaches to mimicking the OB-fold using WW domains as scaffolds. M. L. Waters, A. L. Stewart

170. Asymmetric reduction catalyzed by immobilized yeast cells in ionic liquids. J. Wu, G. Shen, G. Xu, L. Yang 171. Biochemical studies on the protein complexes that assemble lipopolysaccharide and membrane proteins in the outer membrane of Escherichia coli. L. S. Gronenberg, D. E. Kahne 172. Biosynthetic pathway of primary fatty acid amides. E. F. Morgan, D. J. Merkler 173. Biotransformation of steroids by Exophiala jeanselmei var. lecanii corni. K. P. McCook, P. B. Reese 174. Biotransformation of steroids by Thielaviopsis paradoxa. F. A. Russell, P. B. Reese 175. Chaperone activity of the nucleocapsid protein of feline immunodeficiency virus. D. F. Qualley, K. Musier-Forsyth 176. Characterization of nanometer-scale complexes formed by peptidomimetic transfection reagents and siRNA oligonucleotides. Y. Utku, R. N. Zuckermann, K. Kirshenbaum 177. Characterization of spin labeled estradiol as a probe for Estrogen Receptor binding interactions. S. V. Gulla, D. E. Budil, K. Hideg 178. Characterizing the behavior of tryptophan-containing amphiphiles at the airwater interface. M. M. Daschbach, E. K. Elliott, G. W. Gokel 179. Chemical modulation of telomerase. J. P. R. Soares 180. Chemoenzymatic synthesis of sialylated sugar units on glycoprotein. S. Huang, H. Yu, X. Chen 181. Cofactor free decarboxylases, mechanism and specificity of aryl malonate decarboxylation. K. Okrasa, J. Micklefield 182. Computational study of conformational switching of s-box riboswitch. W. Huang, F. Aboul-ela, S. Jha, V. Boyapati 183. Conformational changes of full-length HIV-1 gp120 upon binding the soluble domains of the CD4 receptor. C. D. Boone, F. Ashish, J. Krueger 184. Design of an intercalator-peptide conjugate for molecular recognition of RNA using cooperative binding. L. L. Cline, M. L. Waters 185. Design of RNA binding small molecule compound library: An in silico approach. V. K. Boyapati, A-E. Fareed, V. K. Gopu 186. Determination of pKa of heparin using FTIR-ATR spectroscopy. F. A. Rodrigues, P. Mayumi Matukawa, I. L. Santos Tersariol 187. Determination of strain and virulence markers in Staphylococcus aureus using Raman spectroscopy. D. I. Ward, J. P. Luba 188. Determination of the crystal structure of EntC, an isochorismate synthase from Escherichia coli. J. A. Sundlov, J. M. Carney, A. M. Gulick 189. Determining the organization of bacterial serine sensing receptor by unnatural amino acid incorporation. J. C. Peeler, J. R. Weinstein, R. A. Mehl 190. Develop a dietary supplement of gangliosides to rescue the GM3 synthase genetic mutation. J. L. Walck, R. A. Mehl 191. Development of recombinant bacterial based protein expression system for properly folded prorenin. J. L. Kear, J. Hewlett, G. E. Fanucci 192. Direct diazo-transfer reaction on ␤-lactam: Synthesis and preliminary biological activities of 6-triazolylpenicillanic acids. P. C. Chen, R. E. Wharton, P. A. Patel, A. K. Oyelere 193. Direct spectrophotometric quantification of incorporated biotin and digoxigenin on proteins and nucleic acids. D. Schwartz, C. Miller, J. Williams, J. McDonald, L. Mendoza 194. Directed evolution of the KDPG and KDPGal aldolases. M. J. Walters, E. J. Toone


BIOL/BMGT 195. Discovering E. coli methionyl-tRNA synthetase variants that activate azidonorleucine via library screening in vivo and in silico. I. C. Tanrikulu, W. A. Goddard III, D. A. Tirrell 196. Electrochemical signaling in mesoscale neuronal networks. A. Shalek 197. Energy changes during the catabolism of the amino acid leucine. H. C. Arvidson III 198. Evaluation of slide chemistries for use in ELISA microarrays. S. Servoss 199. Evaluation of the role of EphA2 activation in breast cancer therapeutics using adenoviral vectors. E. Morenu, S. Mittal, S-H. Yoo, E. Clark, A. Sharma, S. Mittal 200. Exploring cooperative domain dynamics in Thermus thermophilus leucyl-tRNA synthetase using low-frequency normal mode calculations and statistical coupling analysis. K. Weimer, M. Brunetto, S. Bhattacharyay, S. Hati 201. Withdrawn. 202. Expression, refolding and characterization of predicted beta-barrel proteins from Salmonella typhimurium LT2. T. C. Freeman Jr., W. C. Wimley 203. Fluorescent DNA nanotags based on tetrahedron nanostructures. H. Ozhalici Unal, B. A. Armitage 204. Fluorescent reporter assays for histone acetyltransferases. J. Wu, Y. G. Zheng 205. Fluorescent studies of labeled transmembrane helices reveal a lack of interaction despite apparent dimerization on SDS-PAGE gels. W. F. Walkenhorst, W. C. Wimley, L. Thomas, E. Batista 206. Formation of a labeled thialysine to study the pKa of a lysine residue using NMR. M. Rabago-Smith, L. Beltz, S. N. Yoon, D. Obdronair, B. Borhan 207. Fragile X mental retardation protein interactions with human semaphorin mRNA. M. Bole, L. Menon, M. R. Mihailescu 208. Getting the stain in: An investigation into the cresyl violet staining of nucleic acid molecules in PAGE. A. F. Charlebois, A. Brandolini, R. Rene, P. Patel 209. Hepatitis C Virus RNA dimerization is mediated by kissing interactions. K. A. Ruszkowski, S. Shetty, M. R. Mihailescu 210. Identification of the indanomycin biosynthetic gene cluster in Streptomyces antibioticus. W. L. Kelly, K. E. Roege 211. Immobilization of antibody on a quartz crystal microbalance for detection of Pseudomonas. A. J. Denson, S. A. Walper, S. Sullivan, K. Clarke, S. Heinhorst, G. C. Cannon, J. A. Evans 212. In vitro, high-throughput detection of protein-protein interactions. B. W. Jester, J. R. Porter, C. I. Stains, I. Ghosh 213. Withdrawn. 214. Intrinsic selectivity in binding of Matrix Metalloproteinase-7 to differently charged lipid membranes. B. Ganguly, A. Elegbede, D. Klocke, M. Haldar, S. Mallik, D. K. Srivastava 215. Investigation into high temperature transposition of Ty1 in the yeast mutants rfx1⌬ and sml1⌬. B. W. Sykes, J. B. Keeney 216. Investigation of oligomeric structure formation in phycocyanin. K. E. Murray, L. Bochner, Y. M. Gindt 217. Investigation of the mechanism of FlhB autocleavage. N. M. Kyriacou, J. L. McMurry 218. Investigation of the spectroscopy and reduction potential chemistry of VcCry1 cryptochrome. J. T. Freedman, B. M. Wertheim, F. Cortazar, J. Schelvis, Y. M. Gindt 219. Kinetic analysis of N-acylethanolaminehydrolyzing acid amidase toward a novel class of anti-inflammatory drugs. L. P. Pattison, R. E. East III, V. L. Mariani 220. Kinetic analysis of acetylation-dependent Pb1 bromodomain-histone interactions. C. Kupitz 221. Kinetic mechanism and characterization of arylamine N-acetyltransferase from Mycobacterium tuberculosis. A. L. Sikora, J. S. Blanchard

222. Kinetic mechanism of the 70 kDa 40S ribosomal protein S6 kinase-1 (S6K1). M. M. Keshwani, T. K. Harris 223. Kinetic model of lipase-catalyzed asymmetric alcoholysis of a-cyano-3-phenoxybenzyl acetate in organic media. J. Wu, G. Xu, L. Yang 224. Kinetic study on lipase-catalyzed ammonolysis of CHBE in organic solvent. J. Wu, Y. Jin, G. Xu, L. Yang 225. Kinetics of calcium-prothrombin binding as a function of temperature. J. M. Schrock, J. Hedstrom, W. G. Owen 226. Mechanism and selectivity of the MceIJcatalyzed posttranslational modification of Microcin E492: ATP-dependent linkage of ribosomal and nonribosomal peptide scaffolds. E. M. Nolan, C. T. Walsh 227. Mechanism of calcium-induced electron transfer in NADPH oxidase 5 and dual oxidase. L. N. Hamilton, S. Bux, T. Johnson, C-C. Wei, D. Powell 228. Mechanism of posttransfer editing of mis-charged Cys-tRNAPro by bacterial YbaK. B. R. So, K. Musier-Forsyth 229. Mechanisms of the structural stability and metal-dissociation properties of the eptide deformylase from E. coli. A. K. Berg, S. Manokaran, J. A. Kooren, D. R. Eiler, S. Mallik, D. K. Srivastava 230. Membrane binding and dissociation kinetics of GM2 activator protein. Y. Ran, G. E. Fanucci 231. Microwave enhanced enzymatic digestion. G. S. Vanier 232. Multiple unnatural amino acid incorporation in vivo: Development of improved suppressor tRNAs. E. A. Rodriguez, D. A. Dougherty 233. N-Acylethanolamines as substrates for ADH3. M. Ivkovic, D. J. Merkler 234. Novel chemotherapeutics against lung and colon cancer. E. Keller, I. Becker, C. A. Martey-Ochola 235. Organization of the flagellar export apparatus: Analysis of a FliO-FliP fusion protein. M. I. Kyriacou, J. L. McMurry 236. Withdrawn. 237. Polybromo-1 bromodomains bind histone H3 at specific acetyl-lysine positions. M. Thompson 238. Probing O-linked glycosylation using small molecule inhibitors of glycosyltransferases. J. G. Swoboda, B. J. Gross, S. Walker 239. Probing the significance of a hydrogen bond interaction in nicotinic acetylcholine receptors. N. L. Puskar, X. Xiu, D. A. Dougherty 240. Proposed role of the chitinase insertion domain in chitinase function. H. Li, L. Greene 241. Protein erectile dysfunction: Loss of structural rigidity in a Hsp40 J-domain mutant correlates with loss of Hsp70 activation. N. A. Bascos, S. J. Landry 242. Regulation of pyrimidine biosynthesis in Pseudomonas fulva. T. P. West 243. RNA polymerase binds to specific nonpromoter DNA sequences. S. Winkle, D. Arango, A. Landera, J. Pulido, A. Shaqra, L. Wedderburn, R. D. Sheardy 244. Role of agonist:protein interactions in the allosteric mechanism of activation in AMPA receptors. K. A. Mankiewicz, V. Jayaraman 245. Screening of natural compounds for antimycobacterial activity using a novel high-throughput assay for antigen 85C. J. Boucau, M. P. Hacker, D. R. Ronning 246. Self-inflicted oxidative damage in redox metalloproteins. F. Gasteazoro, P. Gil-Rodriguez, G. Paredes, G. Rodriguez-Alonso, B. Valderrama 247. Simocyclinone D8: Chemical biology of a new type-II topoisomerase inhibitor. K. C. Ellis, H. Hiasa 248. Site-directed mutagenesis of nucleoside hydrolase from Escherichia coli. B. Arivett, P. C. Kline, M. Farone, A. Farone, T. Quinn, A. Khaliq, Z. Sinkala

249. Site-directed spin labeling EPR studies for structural elucidation of the yeast proteinase A inhibitor IA3. N. L. Hurst, L. Galiano, J. Hewlett, G. E. Fanucci 250. Site-specific incorporation and photocrosslinking of benzophenone amino-acid derivatives at protein interface. D. Nguyen, R. A. Mehl 251. Solid state NMR structural analysis of the membrane associated influenza fusion protein. J. L. Curtis, D. P. Weliky 252. Spatial fluctuations affect the dynamics of motor proteins. R. K. Das 253. Spectroscopic characterization of a metal bound by Arginine: Glyoxalase 2-1 from Arabidopsis thaliana. P. Limphong, M. W. Crowder, B. Bennett, C. A. Makaroff 254. Spectroscopic studies of the inhibition of the Bacillus cereus 5/B/6 metallo-ß-lactamase. C. L. Sims, S-K. Kim, M. L. Cottenoir, K-M. Kim, D. Whitson, W. K. Myers, A. J. Fisher, D. L. Tierney, R. W. Shaw 255. Staphylococcus aureus response to cell wall stress involves a novel penicillinbinding protein. D. Golemi-Kotra, X. Fan, Y. Liu, D. Smith, L. Konermann, K. M. Siu 256. Stopped flow studies of hexamer formation and dissociation in phycocyanin. M. Tammaro, S. Sykes, D. Shellhamer, Y. M. Gindt 257. Strategy for selecting synergistic antibody pairs for sandwich immunoassays. E. R. Abboud, R. C. Blake II, D. A. Blake 258. Structural and thermodynamic effects of halogen bonds in proteins. S. Miyake-Stoner, R. A. Mehl 259. Structure based selection of inhibitors of cholera toxin from compound libraries. D. Chen, C. H. Schein 260. Structure of Acyl adenylate synthetase: A novel enzyme in the “wrong” conformation. M. Shah, C. Ingram-Smith, K. Smith, A. M. Gulick 261. Structure-based design and synthesis of peptides inhibitors for Factor VII-a. C. C. Clement, S. Zakia, L. Gingold, M. Philipp 262. Study the activity of the proteolytic enzymes. N. Davronova 263. Synthesis of biotinylated azido adenine ribose derivative analogs: Potential activity based protein profiling probes. S. Mahajan, D. J. Merkler, R. Manetsch 264. Synthesis of metabolic pathways using thermodynamic constraints: The AstrocyteNeuron Lactate Shuttle in mammalian brain tissue. F. P. Marealle, L. S. McFadden, J. E. Gatica 265. Terbium luminescence quenching for bioswitch applications. B. Michelle, B. S. Hudson 266. Testing the shifting specificity model for enzyme catalysis. B. M. Britt 267. Tetrahymena telomerase RNA structure. M. Jarstfer, J. D. Legassie 268. Thermodynamic analysis of acetylationdependent Pb1 bromodomain—histone H3 interactions. K. Bugielski 269. Thermodynamic parameters for 2x3 internal loops found in RNA. N. Zulic, B. M. Znosko 270. Toxicity of functionalized single-walled carbon nanotubes on cyanobacteria. S. N. Rodriguez, Y. M. Gindt, T. H. Huang 271. Use of posttranslational modifications to control peptide structure: Insights into the “histone code”. A. J. Riemen, M. L. Waters 272. Utilization of low molecular weight thiols by Staphylococcus aureus for protection against reactive oxygen species. M. T. Lancaster, S. Taylor, J. P. Luba


BMGT Division of Business Development & Management M. L. Hurrey, Program Chair

OTHER SYMPOSIA OF INTEREST: Government and Science: The Effects of Politics and Funding on Science and Technology (see YCC, Mon) STARS: Science & Technology Awards and RecognitionS—for Professionals in the Chemical Sciences (see WCC, Sun) Equipping the 2015 Chemical Technology Workforce (see TECH, Tue) Joint PMSE/POLY Poster Session (see PMSE, Tue) Chemical Pricing, Business and Industry Information: Determination, Dissemination, and Use (see CINF, Wed) The Chemistry of Alcohol (see YCC, Sun)

SOCIAL EVENT: ACS Industrial Chemistry Award Reception: 3:45PM: Mon

BUSINESS MEETING: Joint Executive Committee & Open Membership Meeting: NOON: Mon

SUNDAY MORNING Entrepreneurship in Polymers for Energy and the Environment Tutorial Sponsored by POLY, Cosponsored by AIChE Materials Engineering and Sciences Division (Group 8), BMGT, SCHB, CEPA, WCC, and ENGENV

SUNDAY AFTERNOON Entrepreneurship in Polymers for Energy and the Environment Sponsored by POLY, Cosponsored by AIChE Materials Engineering and Sciences Division (Group 8), BMGT, SCHB, CEPA, WCC, and ENGENV

MONDAY AFTERNOON Section A Marriott Convention Center Julia ACS Award in Industrial Chemistry: Symposium in Honor of T.J. Wallington: Greenhouse Gases Sequestration: Technology and Economics Cosponsored by AIChE Environmental Division (Group 9), PHYS‡, and ENGENV

J. L. Bryant, M. L. Hurrey, N. M. Assaf-Anid, R. D. Siegel, and M. E. Ternes, Organizers 1:30 Introductory Remarks. 1:35 1. Award Address (ACS Award in Industrial Chemistry, sponsored by ACS Division of Business Development and Management and the Synthetic Organic Chemical Manufacturers Association). Sustainable mobility: An automotive industry perspective. T. Wallington 2:15 2. Development of new post-combustion carbon dioxide capture solvents: Are ionic liquids the answer? E. J. Maginn, J. L. Anderson, J. Dixon, W. Shi, E. Mindrup, W. Schneidier, J. F. Brennecke 2:40 3. Postcombustion carbon dioxide capture research program at CSIRO, Australia. M. Attalla

TECH–15

TECHNICAL PROGRAM

BMGT/CARB 3:05 4. Understanding, developing and optimizing the chemistry of carbon dioxide capture. G. D. Puxty 3:30 Concluding Remarks.

TUESDAY MORNING Partnering for Innovation and Competitiveness: Opportunities for the Chemical Enterprise in Energy and Environment Sponsored by COMSCI, Cosponsored by AIChE Management Division (Group 5), ACS Corporation Associates, BMGT, CHAL, PETR, SCHB, ENGENV, ENVR, PROF, CEPA, and TECH Tools for Entrepreneurs from the Kauffman Foundation Sponsored by SCHB, Cosponsored by AIChE Management Division (Group 5), CHAL, POLY, YCC, WCC, and BMGT

TUESDAY AFTERNOON Section L Morial Convention Center Rm. 297 Global Climate Change: Legislation, Regulation and Policy Sponsored by AIChE Environmental Division (Group 9), Cosponsored by BMGT‡ and ENGENV

N. M. Assaf-Anid, R. D. Siegel, M. E. Ternes, J. L. Bryant, and M. L. Hurrey, Organizers 2:00 99089. Preparing for greenhouse gas regulations. G. Johnson 2:20 99090. Carbon trading: Enhancing business value through carbon reductions. D. D. Hirsch 2:40 99091. Monetizing greenhouse gas emission reductions: Opportunities in carbon trading. S. Deatherage 3:00 99092. The countdown to greenhouse gas management. B. Keogh Best Steps for the Chemical Entrepreneur Sponsored by SCHB, Cosponsored by AIChE Management Division (Group 5), BMGT, POLY, WCC, and YCC

CARB Division of Carbohydrate Chemistry D. P. Arya, Program Chair

12:00 6. Probing the thermodynamics and conformational dynamics of drug-RNA interactions: Amionglycoside targeting the rRNA A-site. D. S. Pilch 12:40 7. Targeting hepatitis C virus RNA. T. Hermann

SUNDAY AFTERNOON

Carbohydrates in Drug Development

D. P. Arya, Organizer G. R. Bishop and J. L. Castleberry, Presiding 2:00 8. DNA intercalation by ru(II)-bis(bipyridine)-pteridinyl complexes with complementary H-bonding patterns. S. Glazier, S. J. Burgmayer, S. R. Dalton 2:20 9. N2’-Functionalized 2’-amino-alfa-LLNA: A novel class of locked nucleic acids as emerging tools for nucleic acid therapeutics and diagnostics. T. S. Kumar, A. S. Madsen, N. K. Andersen, J. Wengel, P. J. Hrdlicka 2:40 10. Novel aminoglycoside analogs based on 2-deoxystreptamine. F. L. van Delft, W. Aslam, B. A. M. W. van den Broek, G. F. Busscher, B. W. T. Gruijters, R. H. Blaauw, F. P. J. T. Rutjes 3:00 11. Glycoconjugates bind, recognize, and neutralize of Bacillus anthracis protective antigen toxin and its complexes. J. L. Castleberry, P. Alusta, L. Soderberg, O. Tarasenko 3:20 12. Influence of antibiotics on inhibitory effects achieved by glycoconjugates. M. Park, L. Soderberg, O. Tarasenko 3:40 Intermission. 4:00 13. Probing O-linked glycosylation using small molecule inhibitors of glycosyltransferases. J. G. Swoboda, B. J. Gross, S. Walker 4:20 14. Synthesis of oligosaccharides derived from Burkholderia pseudomallei and mallei: Potential agents for bioterrorism. A. S. Mehta, G-J. Boons 4:40 15. Synthetic glycoconjugates for the detection and differentiation of shiga toxins. D. M. Hatch, R. R. Kale, C. McGannon, C. Fuller-Schaefer, M. J. Flagler, S. D. Gamage, A. Weiss, S. S. Iyer

MONDAY MORNING Section A



D. H. Appella, Organizer, Presiding 8:20 Introductory Remarks. 8:25 1. RNA Targeting with 2⬘-Fluoro-2⬘ -deoxyarabinonucleic acids (2⬘F-ANA). M. J. Damha, J. Watts, N. Bayó, J. Lackey, G. Deleavey, N. Wazen, M. El-Sabahy, J. Leroux 9:05 2. Therapeutic strategies using RNA interference pathways: Targeting RNA by RNA and RNA analogs. M. Manoharan 9:45 3. Exploring RNA–ligand interactions. Y. Tor 10:25 4. Discovery of new ligands for ribosomal RNA targets. C. S. Chow 11:05 Intermission. 11:20 5. Functionalized polyamines with selective binding to TAR RNA. D. H. Appella


16–TECH

Morial Convention Center Rm. 214 Bioenergy and Carbohydrate Structure: Modeling and Experiment Cosponsored by CELL and ENGENV

A. French, Organizer Morial Convention Center Rm. 214

Section A

M. Manoharan, Presiding

Section A

Section A

SUNDAY MORNING

RNA as a Drug Target Cosponsored by BIOL, MEDI, and ORGN

MONDAY AFTERNOON

Bioenergy and Carbohydrate Structure: Modeling and Experiment Cosponsored by CELL and ENGENV

A. French and A. Laederach, Organizers R. J. Woods, Organizer, Presiding 8:30 Introductory Remarks. 8:45 16. Nanoscale characterization of plant cell-wall microfibril structure. S-Y. Ding 9:15 17. Cooperativity effect of hydrogen bonding interactions in native celluloses from ab initio calculations. X. Qian 9:45 18. Thermal response in crystalline cellulose: A molecular dynamics study. M. Bergenstråhle, L. Berglund, K. Mazeau 10:15 Intermission. 10:30 19. Simulation of assigned infrared spectra from molecular dynamics simulations. B. L. Foley, R. J. Woods 11:00 20. A new era of carbohydrate modeling using cutting edge DFT methods. U. Schnupf, J. L. Willett, W. B. Bosma, F. A. Momany 11:30 21. Structural characterization of the esterified wheat straw hemicelluloses induced by microwave irradiation. F. Xu, R. Sun, B. Peng

R. J. Woods and A. Laederach, Organizers, Presiding 2:00 22. Substrate distortion in ␤-glycoside hydrolases: Insights from first-principles simulations. X. Biarnés, A. Ardèvol, A. Laio, M. Parrinello, A. Planas, C. Rovira 2:35 23. Efficient electron density functionals and basis sets for carbohydrates. G. I. Csonka, A. D. French, G. P. Johnson 3:10 24. Conformational landscapes of polysaccharides and glycopeptides: Spectroscopy and modeling of the building blocks. T. D. Vaden, E. C. Cocinero, E. C. Stanca-Kaposta, D. P. Gamblin, E. Scanlan, L. C. Snoek, B. G. Davis, J. P. Simons 3:45 Intermission. 4:00 25. New correlations between NMR J-couplings and saccharide structure and function. A. S. Serianni 4:35 26. Modeling the properties of cellulose microfibrils. T. Shen, A. D. French, P. Langan, G. Gnanakaran


D. P. Arya, Organizer 8:00–10:00 52-54, 56-58, 60-61, 63, 68-69, 71-72, 74-75, 78-80, 89, 91-92, 111, 118. See subsequent listings.

11:00 31. Oxidative footprinting with mass spectrometry and molecular modeling as methods for studying carbohydrate-protein interactions. O. Charvatova, B. L. Foley, M. Bern, J. Sharp, R. Orlando, R. Woods 11:30 32. Preparation and evaluation of chitosan sulfate-based proton exchange membranes for fuel cells. Z. Cui, Y. Xiang, T. Zhang

Section B Morial Convention Center Rm. 223 Sugar Alley Symposium Cosponsored by ORGN

W. Priebe and J. H. Lauterbach, Organizers J. R. Vercellotti, Organizer, Presiding 8:30 Introductory Remarks. 8:40 33. Sugar alley: Nine decades of carbohydrate chemistry. D. Horton 9:25 34. Derek Horton and carbohydrate chemistry. H. S. El Khadem 9:55 35. Heparan sulfate as a therapeutic target in amyloidogenesis. W. A. Szarek, R. Kisilevsky 10:25 Intermission. 10:40 36. Monosaccharide-based antimetabolites: 2-Deoxy-D-glucose and 2-DG analogs as potential anticancer agents. W. Priebe 11:10 37. Sugar alley recollections, 19601964. F. Komitsky Jr. 11:40 38. Trypanosoma cruzi transsialidase, substrates, and inhibitors. R. M. de Lederkremer

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 214 Bioenergy and Carbohydrate Structure: Modeling and Experiment Cosponsored by CELL and ENGENV

R. J. Woods, Organizer TUESDAY MORNING Section A Morial Convention Center Rm. 214 Bioenergy and Carbohydrate Structure: Modeling and Experiment Cosponsored by CELL and ENGENV

R. J. Woods, Organizer A. French and A. Laederach, Organizers, Presiding 8:30 Introductory Remarks. 8:45 27. Quantum chemical study on changes in structure and chemistry of lignin with energy. T. Elder 9:15 28. Automated docking shows that Asp463 is the catalytic proton donor in human endoplasmic reticulum ␣-1,2mannosidase I. D. Cantu, W. Nerinckx, P. J. Reilly 9:45 29. Conformation of the five-membered ring in 3,6-anhydrogalactose derivatives. C. A. Stortz, D. A. Navarro 10:15 Intermission. 10:30 30. Molecular dynamics in glassy methyl ␣-L-rhamnopyranoside and trehalose studied by solid-state NMR experiments in natural isotopic abundance. D. Reichert, N. Hunter, M. Kovermann, C. Forst, P. Belton

A. French and A. Laederach, Organizers, Presiding 1:30 39. Using replica exchange molecular dynamics to describe the free energy of disaccharide conformation change in vacuum and solution. R. K. Campen, A. Vila Verde 2:05 40. Computational analysis of the structure and dynamics of alginate oligosaccharides. R. A. Bryce 2:40 41. Molecular dynamics simulation studies of cellulose crystal models: Structure conversion upon swelling and adsorption behavior of a cellulose binding protein at the crystal surface. T. Yui, T. Arikawa, S. Hayashi 3:15 Intermission. 3:30 42. Stability of two-fold screw axis structures for cellulose. A. D. French, G. P. Johnson 4:05 43. GLYCAM06, a generalizable biomolecular force field: Carbohydrates, lipids, lipid bilayers and glycolipids. A. B. Yongye, M. B. Tessier, K. Kirschner, S. M. Tschampel, J. Gonzalez-Outeirino, C. R. Daniels, B. L. Foley, R. J. Woods

Section B Morial Convention Center Rm. 223 Sugar Alley Symposium Cosponsored by ORGN

J. H. Lauterbach and J. R. Vercellotti, Organizers


W. Priebe, Organizer, Presiding 2:00 44. Synthesis of mixed c/o- and s/olinked hyaluronic acid type oligomers. D. C. Baker, Q. Yang, Z-X. Ren, S. Hamilton, B. Jiang, A. Akue, K. N. Price

CARB 2:30 45. Carbohydrate chemistry in the tobacco industry. J. H. Lauterbach 3:00 46. Retrospect of heparin chemistry on Sugar Alley during the 1960’s. J. R. Vercellotti 3:30 Intermission. 3:45 47. Role of carbohydrates as precursors for heterocycles and acyclonucleosides. E. S. H. El-Ashry 4:15 48. Fenleuton: A process research and development story. A. V. Thomas 4:45 49. Experimental indication of a role for antimicrobials in individual respiratory protection. J. Wander, B. Heimbuch, C-Y. Wu

TUESDAY EVENING Section A Morial Convention Center Hall A General Posters

D. P. Arya, Organizer 6:00–8:00 50. N-pentofuranosyl-N’-[p-(isoamyloxy)phenyl]-thiourea derivatives: Potential anti TB therapeutic agents. A. Liav, S. K. Angala, P. J. Brennan 51. New insights on hard to boil massecuites in the sugarcane Industry. A. Antoine, G. Eggleston 52. Study of carbohydrate-carbohydrate interactions mediating the adhesion of melanoma cells to endothelial cells. N. Seah, A. Basu 53. Glycoconjugates mediate higher macrophage viability and destruction of bacillus spores either in presence or absence of antibiotics. D. Akpore, L. Soderberg, O. Tarasenko 54. Glycoconjugates stimulate nitric oxide production and enhance macrophage viability either in presence or absence of antibiotics. K. Hester, L. Soderberg, O. Tarasenko 55. Ionic strength induced conformational changes in L-arginine binding DNA aptamers. B. A. Mitchell, G. R. Bishop 56. Structure of a highly pyruvylated galactan sulfate from the Pacific green alga Codium yezoense (Bryopsidales, Chlorophyta). E. V. Vinogradova, M. I. Bilan, A. I. Usov 57. Synthesis and immunological properties of an oligosaccharide derived from the Bacillus anthracis cell wall. M. Vasan, G. J. Boons 58. Synthesis of Gb3 analogs as Shiga toxin binders. S. S. Mahajan, M. J. Flagler, A. A. Weiss, S. S. Iyer 59. The thermal stability of an AMP/ATP binding DNA aptamer. A. Montgomery, G. R. Bishop 60. Expanding the scope of oxyamine glycosylation leads to tumor-selective cardiac glycosides. L. K. Slevin, J. M. Engle, L. R. Fay, R. W. Lucker, K. Smith, M. Endo, J. M. Langenhan 61. Expression and purification of N-acetylglucosaminyltransferase III in Pichia pastoris. J. Yin, B. S. Hamilton, T. J. Tolbert 62. Flavonoids as Na,K-ATPase inhibitors: A QSAR study. B. Rasulev, Z. Khushbaktova, J. Leszczynski 63. Novel polysaccharide synthesis for use in artificial skin substitutes. B. T. L. Smith, A. Mueller 64. Probing the effects of ligand binding on the thermal unfolding of structurally diverse DNA aptamers by differential scanning calorimetry and circular dichroism spectroscopy. J. Lin, G. R. Bishop 65. Regioselective acylation of vicinal diols on monosaccharide derivatives. J. R. Ella-Menye, M. St. Martin, K. Williams, H. Yang, G. Wang


66. Sequence effects on ion induced-conformational switching in an L-Arg binding DNA aptamer. K. L. Munroe, P. W. Walker, R. Riley, J. C. Harvey, A. Montgomery, B. A. Mitchell, G. R. Bishop 67. Studies of heparin and its binding with biological molecules. K. T. Nguyen 68. Receptor mediated antibiotic delivery using synthetic mannan. M. S. Aqueel, V. Pathak, A. K. Pathak 69. Sonication-based studies toward the synthesis of oligomannosides. C. T. Tanifum, C. W. T. Chang 70. One-step reaction among ketoses, amines and organoboron compounds. N. A. Petasis, W. Huang 71. Solvent and C-5 effect for the synthesis of alpha sialosides. C. De Meo, N. Priyadarshani 72. Syntheses and immunological studies of tumor associated carbohydrate antigens. A. Miermont, X. Lu, Q. Wang, X. Huang 73. Design and synthesis of C-fucosyl analogs of GDP-fucose: Targeting fucosyltransferases for chemotherapy. U. Sahni, J. Gervay-Hague 74. Design of SCFAManNAc hybrid molecules for the selective control of sialic acid biosynthesis and toxicity. U. Aich, C. T. Campbell, S-G. Sampathkumar, N. Elmouelhi, C. Weier, A. M. Meledeo, F. Contijoch, K. J. Yarema 75. Development of a high-throughput assay for the Mycobacterium tuberculosis AftB enzyme involved in arabinan biosynthesis. J. Zhang 76. Disaccharide conformational maps: Adiabaticity in analogs with variable ring shapes. C. A. Stortz, A. D. French 77. Dumbbell-shaped circular oligonucleotides: As inhibitors of human topoisomerase I. M. T. Ng, T. Li 78. Approaches to glycoconjugate vaccines based on synthetic cryptococcus neoformans cps structures. L. Rydner, S. Oscarson 79. Biotechnological heparin anticoagulants without side effects. B. Kuberan, X. Victor 80. Convergent synthesis of homo-linear octamannan on an ionic liquid support. C. K. Yerneni, V. Pathak, A. K. Pathak 81. Covalent modification of silicone urinary catheters with mannose to enhance coverage and stability of benign E. coli. A. I. Lopez, B. W. Trautner, C. Cai 82. Cellulose from Distillers⬘ Dried Grain & Solubles (DDGS) and compared with it from corn kernel. W. Xu, Y. Yang 83. In vitro enzymatic generation of GDP-Lfucose and GDP-D-rhamnose by GDP-Dmannose 4,6-dehydratase and GDP-Lfucose synthetase from medicinal fungus Ling-Zhi. H-T. Chiu, S-J. Deng, C. C. Wu 84. Modification and characterization of r-carbamoylpropanoic acid modified chitosan. J. Lin, R. E. Utecht 85. Modified gum acacia: A potential emulsifier for high oil load emulsions. N. Naouli 86. A facile and regioselective synthesis of partially benzoylated sucralose suitable for chain extension at Position O-6. S. E. Soliman, R. W. Bassily, R. I. El-Sokkary, A. S. Nematalla, M. A. Nashed 87. DFT Solvation studies of carbohydrates: Implicit and explicit solvation. U. Schnupf, J. L. Willett, W. B. Bosma, F. A. Momany 88. Efficient conversion of thioglycosides into glycosyl sulphones. G. Ribeiro Morais V, A. J. Humphrey, R. A. Falconer 89. Glycopeptide synthesis by traceless decarboxylative condensation. A. K. Sanki, R. S. Talan, S. J. Sucheck 90. Synthesis of acyl glucuronide derivatives of biological applications. S. E. Soliman, R. W. Bassily, R. I. El-Sokkary, M. A. Nashed 91. Synthesis of methyl 5-deoxy-5-S-thioalkylD-arabinofuranosides and evaluation of their antimycobacterial activity. A. K. Sanki, P. Srivastava, S. S. Adams, J. Boucau, D. R. Ronning, S. J. Sucheck 92. Toward a modular approach for the synthesis of heparan sulfate fragments using orthogonally protected disaccharide building blocks. S. Arungundram, A. Venot, G-J. Boons

WEDNESDAY MORNING Section A Morial Convention Center Rm. 214 Recent Innovations in the Production of Sugar and Fuel Alcohol from Sugarcane and Sugarbeet in Memory of Margaret A. Clarke Cosponsored by BIOT, BTEC, and ENGENV

G. Eggleston, Organizer, Presiding 9:00 Introductory Remarks. 9:05 93. Some problems and solutions for the ethanol fermentation from sugarcane. H. Amorim 9:40 94. Advancements in the production of lignocellulosic ethanol from sugarcane bagasse. G. Luli 10:05 95. Recent developments in sugarcane agriculture that affect sugarcane and sugar quality. B. Legendre, G. Eggleston 10:30 Intermission. 10:45 96. New biobased and biofuel products from sugar beets. A. T. Hotchkiss Jr., L. Liu, J. D. Peterson, I. Simkovic, M. L. Fishman, K. B. Hicks 11:10 97. Glucans, biofilms and sugar: A biochemical and practical perspective. G. Cote, T. D. Leathers, G. Eggleston 11:35 98. Mannitol: A new chemical marker for the sugar industry. G. Eggleston, B. Legendre, H. Amorim

WEDNESDAY AFTERNOON Section A Morial Convention Center Rm. 223 Recent Innovations in the Production of Sugar and Fuel Alcohol from Sugarcane and Sugarbeet in Memory of Margaret A. Clarke Cosponsored by BIOT, BTEC, and ENGENV

G. Eggleston, Organizer 2:00 99. VHP and VVHP sugar production. F. C. Sampaio 2:40 100. Commercial applications of powdered activated carbons for decolorizing food products such as fruit juice concentrates and sugar. G. Kahn, J. R. Vercellotti 3:05 Intermission. 3:15 101. Cellulose-to-sugars: Bioprocessing “wastes” to biofuels, chemicals, and materials. S. P. Shoemaker 3:40 102. Innovations in clarification in the sugar industry. M. A. Godshall, M. McKee, R. Triche, C. Richard

3:45 108. Oxoammonium salt and nitroxide catalyzed oxidations of carbohydrates. J. M. Bobbitt, C. Bruckner, N. Merbouh, W. F. Bailey, A. L. Bartelson 4:15 109. Aminoacyl sugars as organocatalysts for asymmetric aldol reaction in aqueous media. T. Machinami, A. Tsutsui, M. Kimura, K. Sekihara, T. Fujimoto 4:45 Concluding Remarks.

THURSDAY MORNING Section A Morial Convention Center Rm. 214 Carbohydrate Chemistry and Biochemistry

D. P. Arya, Organizer T. J. Tolbert and S. J. Sucheck, Presiding 110. Withdrawn. 8:30 111. Synthesis of biotinylated bi- and tetra-antennary glycoconjugates for escherichia coli detection. D. M. Hatch, A. Jurkevica, E. Riley, R. R. Kale, K. T. Schlueter, B. H. Halsal, W. Heineman, A. Weiss, S. S. Iyer 8:50 112. Oxidation of carbohydrates using dimethyl sulfoxide and the pyridine-sulfur trioxide complex reagent. P. V. Santacroce, V. Pozsgay 9:10 113. Drastic influence of hydrogen binding and heteroatom on thermochemical properties of carbohydrates. A. Fattahi, M. Kurdtabar, M. Ghorat 9:30 114. Enzymatic synthesis of N-linked oligosaccharides. B. S. Hamilton, R. Chen, M. Pawlicki, J. Xiao, J. Yin, A. M. Kukuch, T. J. Tolbert 9:50 Intermission. 10:05 115. Glycopeptide synthesis by decarboxylative condensation. S. J. Sucheck 10:25 116. Scanning the potential energy surface of furanosyl oxocarbenium ions: Models for reactive intermediates in carbohydrate reactions. J. S. Rhoad, B. A. Cagg, P. Carver, E. Tylski, E. Wertin 10:45 117. Stereo- and chemoselective amidoglycosylation of glucal 3-carbamates. S. Bernard, R. Gupta, K. Sogi, J. Decatur, C. M. Rojas 11:05 118. Synergistic solvent effect in 1,2-cis-glycoside formation. A. Ishiwata, Y. Munemura, Y. Ito 11:25 119. Aza analogs of the ribosylhomocysteine. V. Malladi, A. J. Sobczak, S. F. Wnuk

THURSDAY AFTERNOON Section A

Section B



Carbohydrate Chemistry and Biochemistry

Sugar Alley Symposium Cosponsored by ORGN

D. P. Arya, Organizer

W. Priebe and J. R. Vercellotti, Organizers J. H. Lauterbach, Organizer, Presiding 1:00 103. The stereochemical dependence of 15N-1H NMR coupling constants in amino sugars. B. Coxon 1:30 104. Synthesis and activity of CPZEN45, a new antituberculous drug candidate. T. Miyake, Y. Takahashi, M. Igarashi 2:00 105. Antibodies to metal-chelate complexes: Basic science and biotechnology. D. A. Blake 2:30 106. Structural and functional peculiarities of LPS of coxiella burnetii, the etiological agent of Q fever. R. Toman, P. Vadovic, L. Skultety, K. Palkovicova 3:00 Intermission. 3:15 107. Polysaccharide purification with selective preparative membranes. J. R. Vercellotti, S. V. Vercellotti

B. Kuberan and M. Gonzalez-Moa, Presiding 1:30 120. Applications of cross-linked enzyme crystals (CLEC) in synthesis of designer carbohydrates for biomedical uses. N. K. Sharma, P. K. Sharma, A. K. Prasad, V. S. Parmar 1:50 121. Chemical transformations of chicory carbohydrates and their consumption in food technologies and medicine. G. Lezenko, I. Popova, V. Pavlenko 2:10 122. Mapping sialyltransferase active sites using isotopically labeled and spinlabeled NMR probes. S. Liu, J. H. Prestegard 2:30 123. Star polymers based on cyclodextrins are applied to artificial hemichannels. P. Guégan, H. Cecile, N. Badi, L. Auvray 2:50 124. Chemical biology of heparan sulfate proteoglycans. B. Kuberan 3:10 Intermission. 3:30 125. Intricate protein binding and neutralization of edema factor during phagocytosis. A. Jones, L. Soderberg, O. Tarasenko

TECH–17

TECHNICAL PROGRAM

CARB/CELL 3:50 126. New sensing tools for starch research. M. Jiang, A. Vo, A. J. Uzman, L. G. Spears 4:10 127. Synthesis of fluorinated SLex analogs to probe selectin-mediated adhesion. G. Akcay, K. Kumar, M. d’Alarcao 4:30 128. Template assembled artificial lectins. M. Gonzalez-Moa, K. Boltz, S. A. Johnston, S. A. Svarovsky 4:50 129. Kinetic and mechanistic study of iridium(III) catalyzed reduction of periodate by dextrose in aqueous alkaline medium. S. P. Singh, A. K. Singh, A. K. Singh 5:10 130. Theory and computer simulation of mechanical properties of carbohydrates and proteins in single molecule AFM experiments. I. M. Neelov, E. Paci, D. B. Adolf, T. C. McLeish

CELL Division of Cellulose & Renewable Materials O. J. Rojas, Program Chair

SOCIAL EVENTS: AP Banquet—7:00 PM: Tue Bioplastics Workshop—2:00 PM: Wed CELL Exec Committee Mtg—5:00 PM: Sat Open Business Mtg—5:30 PM: Wed Program Mtg—5:00 PM: Mon

SUNDAY MORNING

Structure vs. Function with Polysaccharides & Cellulose

D. O. Klemm and P. Gatenholm, Organizers J. V. Edwards, Organizer, Presiding 7:55 Introductory Remarks. 8:00 8. Bacterial glycoconjugate vaccines based on synthetic oligosaccharides. S. Oscarson 8:30 9. Control of structure and shape of bacterial synthesized nanocellulose. N. Heßler, D. Klemm 9:00 10. A degradable bacterial cellulose composite for bone replacement. B. R. Evans, H. O’Neill, S. A. Hutchens, R. S. Benson, C. J. Rawn 9:30 11. Cells like cellulose scaffolds. A. Bodin, H. Bäckdahl, B. Risberg, P. Gatenholm 10:00 Intermission. 10:15 12. Chemo-enzymatically modified xyloglucan: A versatile system for biomedical cellulose modification. H. Brumer 10:45 13. Artificial vascular implants from bacterial synthesized cellulose. D. A. Schumann, D. O. Klemm, F. Kramer, F. Wesarg, D. Koth, W. Fried 11:15 14. Matrix for wound care dressings: Structure – property relationships of bacterial cellulose membranes. B. M. Sultanova, W-M. Kulicke, A. Turaev

Section C Morial Convention Center Rm. R09 Properties of Chitosan and Other Polysaccharides

Section A Morial Convention Center Rm. R07 Structure and Properties of Cellulosic Polymers, Assemblies, and Nanocomposites Anselme Payen Award Symposium Honoring Professor Fumitaka Horii

Y. Nishio, J. Sugiyama, and W. T. Winter, Organizers F. Nakatsubo and J. F. Kadla, Presiding 7:55 Introductory Remarks. 8:00 1. Nonaqueous enzymatic synthesis of biofunctional glycomaterials by surfactantenveloped enzymes. T. Kitaoka 8:30 2. “Furan endwise peeling” of celluloses: Mechanistic studies and application perspectives of a novel reaction. Y. Yoneda, K. Krainz, F. Liebner, A. Potthast, M. Karakawa, F. Nakatsubo, T. Rosenau 9:00 3. Regioselective functionalization of cellulose with two kinds of alkyl groups and the structure-property relationships. H. Kamitakahara, T. Funakoshi, S. Nakai, T. Takano, F. Nakatsubo 9:30 4. Viscoelastic and microstructural properties of novel cellulosic gels. J. F. Kadla, R. Korehei 10:00 Intermission. 10:15 5. Enhancement of moisture sorption ability of cellulosic fibers by means of polymer blend and graft polymerization. Y. Uraki, M. M. H. Ibrahim, K. Itoyama, M. Ubukata 10:45 6. Characterization of highly porous materials from cellulose carbamate. H-P. Fink, M. Pinnow, C. Fanter, J. Kunze 11:15 7. Anodic photocurrent generation from cellulosic LB films. F. Nakatsubo, K. Sakakibara, Y. Ogawa

S. M. Hudson and W. E. Krause, Organizers 8:20 Introductory Remarks. 8:30 15. Replacement of water molecule from hydrated chitin slurry with nonpolar solvents. S. Tokura, H. Nagahama, N. Nwe, T. Furuike, H. Seo, H. Tamura 9:00 16. Some bioadhesive and hemostatic properties of chitosan/poly(aspartic acid) layered films surface modified with RGD peptides. S. M. Hudson, M. Yamazaki 9:30 17. Thiolated chitosan for siRNA delivery. S. Hein, K. A. Howard, E. Nielsen, J. Kjems 10:00 Intermission. 10:15 18. Release of ibuprofen under colon conditions from tequila agave fructansbased microspheres. G. Toriz, E. Delgado, V. Zuniga, R. Starbird, K. A. Rodriguez, C. S. Beltran 10:45 19. Preparation and characteristic evaluation of a new disintegrating agent. M. D. Wang, H. Feng, L. L. Dong, X. Cheng, Z. L. Fu Surfactants from Renewable Resources Fundamentals of Novel Surfactant Systems Sponsored by COLL, Cosponsored by CELL and ENGENV

SUNDAY AFTERNOON Section A Morial Convention Center Rm. R07 Structure and Properties of Cellulosic Polymers, Assemblies, and Nanocomposites Anselme Payen Award Symposium Honoring Professor Fumitaka Horii

Y. Nishio, J. Sugiyama, and W. T. Winter, Organizers

Section B

H. P. Fink and S. Kuga, Presiding

Morial Convention Center Rm. R08

1:00 20. Cellulose gel/aerogel as versatile nanoscaffold. S. Kuga 1:30 21. Facile pathway to prepare cellulose functional fibers containing iron oxide nanoparticles. L. Zhang, S. Liu, J. Zhou, R. Wu 2:00 22. Nanoincorporation of layered double hydroxides into miscible polymer blends of cellulose acetate. S. Yoshitake, R. Kusumi, Y. Nishio

Biomedical Applications of Cellulose-Based Materials


18–TECH

2:30 23. Preparation and characterization of cellulose nanofiber nonwoven fabrics. H. Ono, M. Nakamura, N. Okayama 3:00 Intermission. 3:15 24. Structure and properties of functional cellulose fibrils-based nanocomposites. C. Eyholzer, F. Lopez-Suevos, N. Bordeanu, T. Zimmermann, K. Oksman 3:45 25. Optically transparent cellulose nanocomposites. H. Yano, M. Nogi, S. Ifuku, K. Abe, S. Iwamoto, K. Handa 4:15 26. Processing of polysaccharide nanocrystals reinforced polymer nanocomposites. A. Dufresne

Section B Morial Convention Center Rm. R08 Biomedical Applications of Cellulose-Based Materials Structure vs. Function with Polysaccharides & Cellulose

J. V. Edwards and P. Gatenholm, Organizers D. O. Klemm, Organizer, Presiding 1:00 27. Photoactive cellulose and synthetic polymers as biocidal and self-cleaning materials. K. H. Hong, G. Sun 1:30 28. Biointeractive fibers with antibacterial properties. M. Ek, E-H. Westman, J. Karlsson, L. Wagberg 2:00 29. Rendering cellulose fibers antimicrobial using cationic-modified cyclodextrin polymers/butylparaben or triclosan complexes. L. Qian, Y. Guan, H. Xiao, B. He 2:30 30. Cellulose nanocrystals for targeted drug delivery applications. M. Roman, S. Dong, A. A. Hirani, Y. Lee 3:00 Intermission. 3:15 31. Absorbent silver (I) antimicrobial dressings. D. V. Parikh, J. V. Edwards, B. Condon, A. Parikh 3:45 32. Single bath process for imparting antimicrobial activity and ultraviolet protective property to bamboo fabric. S. Appidi, A. K. Sarkar 4:15 33. Wood pulp based filters for removal of nanoscale particles suspended in air. J. Mao, B. Grgic, W. Finlay, J. F. Kadla, R. Kerekes Jr.

Section C Morial Convention Center Rm. R09 Properties of Chitosan and Other Polysaccharides

S. M. Hudson and W. E. Krause, Organizers 1:30 34. Preparation and several properties of hemostat based on chitinous compound. H. Tamura, S. Nishimura, N. Nwe, S. Kurozumi, Y. Takamori, M. Fukuda, H. Iwase, M. Maeda, K. Kanoko, T. Furuike, S. Tokura 2:00 35. Linkage between chitin/chitosan and beta-glucan in the fungal cell wall and its application in the construction of scaffold for tissue engineering. N. Nwe, W. F. Stevens, S. Tokura, T. Furuike, H. Tamura 2:30 36. Rheological properties of chitosan and their influence on electrospinning. R. R. Klossner, H. A. Queen, A. J. Coughlin, W. E. Krause 3:00 Intermission. 3:15 37. Chitosan nanofibers from chitin and chitosan derivatives. Y-L. Hsieh, J. Du 3:45 38. Production of bicomponent coresheath nanofibers using chitosan and polyethylene oxide. R. E. Gorga, W. E. Krause, L. I. Clarke, S. Ojha, D. R. Stevens 4:15 39. Interactions of some polysaccharides with cellulose fibrils: Effect on paper properties. P. Myllytie, J. Laine Surfactants from Renewable Resources Application Properties Sponsored by COLL, Cosponsored by CELL and ENGENV

SUNDAY EVENING Section A Morial Convention Center Hall A CELL Poster Session

O. J. Rojas, Organizer 5:00–7:00 40. Homogenous synthesis of cellulose polyelectrolytes in NaOH/urea aqueous solutions. Y. Song, J. Zhou, L. Zhang 41. Adsorption and friction of triblock polymer on polypropylene, polyethylene, and cellulose surfaces in boundary lubrication. Y. Li, O. J. Rojas, J. P. Hinestroza 42. Effects of PEG600 and tween80 on performances and gelation kinetics of PPEK hollow fiber membranes. Y. Yun, Y. Tian, D. Sun, C-X. Chen 43. Polyelectrolyte complex formation between cellulose nanocrystals and chitosan. H. Wang, M. Roman 44. Preparation and characterization of cellulose-silica double network aerogel. J. Cai, S. Kuga 45. Preparation, characterization and rheological behavior of starch phosphate hydrogels. L. P. Passauer, K. Fischer 46. Solution behavior and thin films of carboxymethylcellulose acetate butyrate. J. Amim Junior, D. F. S. Petri 47. Study of cellulose/wood samples in deuterated conditions under tensile stress. A. N. Fernandes, M. C. Jarvis, C. Altaner 48. Study on a novel viscoelastic surfactantbased self-diverting acid. W. Wu, Z. Zhang 49. Swelling and water-holding ability of adsorbed polyampholytes: Electrolyte concentration effect at the cellulose-solution interface. D. Silva, T. Yamaguchi, S. W. Park, M. Hubbe, O. J. Rojas 50. Synthesis of cyclophosphamide conjugates of carboxymethylcellulose. A. Knihnicky, M. L. Dennis, C. A. Martey-Ochola 51. Biochip-inspired ATR analysis of nucleic acid-lipid self-assembling complexes for drug delivery. T. Neumann, S. Gajria, W. Smittipong, L. Jaeger, M. Tirrell Jr. 52. Cyto- and genotoxic effects in the human skin keratinocytes induced by silver nanoparticles. W. Lu, P. Ray, H. Yu 53. Drug release from electrospun biocompatible polymers: Influence of solvents and surface morphology. Z. Xie, G. Buschle-Diller 54. AFM studies of EB effects on cellulose and performance of biocomposite. S. O. Han, H. Y. Choi 55. Nanocellulose reinforcements isolated from banana rachis. R. Zuluaga, C. Castro, J. M. Vélez, P. Gañán 56. Effect of phenol-oxidase enzymes on thermo-mechanical properties of Musaceae green composites materials. C. Alvárez, P. Gañán 57. ATRP modification of cellulose fibers and nanocrystals. J. Zoppe, Y. Habibi, O. J. Rojas 58. Biodegradable polyhydroxyalkanoates/ SWNT nanocomposite spheres and films prepared by spray-drying method. S. I. Yun, G. E. Gadd, R. A. Russell, P. J. Holden 59. Biofunctional cellulosic nanomaterials designed by self-assembly. S. Yokota, T. Kitaoka, H. Wariishi, J. Sugiyama 60. Bionanocomposites based on polycaprolactone-grafted cellulose nanocrystals. Y. Habibi, A. Dufresne


CELL 61. Cellulose nanocomposites in grape seed extracts help antioxidants in preventing alpha synuclein aggregation. D. Guadamuz, V. O. Tinoco, A. D. Lee, B. Juma, S. Han 62. Cellulose whiskers reinforced polyvinyl alcohol copolymers nanocomposites. A. Dufresne 63. Chitin nanocrystals prepared by TEMPOmediated oxidation of alpha- and betachitin. Y. Fan, T. Saito, A. Isogai 64. Co-continuous approach: A new way of cellulose fiber surface modification to improve cellulose based composites properties. M. Krouit, J. Bras, M. N. Belgacem 65. Development of cross-linked starch microcellular foam by solvent exchange and reactive supercritical fluid extrusion. S. Patel, R. A. Venditti, J. J. Pawlak, A. Ayoub, S. S. H. Rizvi 66. Multiscale nanoparticles from sisal and compatibilization techniques to reinforce polycaprolactone. G. Siqueira, J. Bras, A. Dufresne 67. Nanocellulose reinforced polyurethane: Fibers and films. M. A. Mosiewicki, M. L. Auad, T. Richardson, M. I. Aranguren, N. E. Marcovich 68. Nanocomposites materials reinforced with surface modified cellulose whiskers. A. J. de Menezes, G. Siqueira, A. da Silva Curvelo, A. Dufresne 69. Production and characterization of carboxymethylated chitins to obtain nanomaterials. V. B. José, S. B. María, M-N. Alejandro, M-C. Sergio 70. Characterization of cellouronate lyase from Trichoderma reesei. N. Konno, K. Igarashi, M. Samegima, A. Isogai 71. Red algae fibre reinforced thermoplastic composites. S. O. Han, M. W. Lee, Y. B. Seo 72. Shape memory polyurethanes reinforced with electrically conductive cellulose nanocrystals. M. L. Auad, M. A. Mosiewicki, T. Richardson, L. H. C. Mattoso, W. J. Orts, N. E. Marcovich, M. I. Aranguren 73. Cellulose alkyl ester-graft-poly(␧-caprolactone) copolymers: Crystallization kinetics, molecular motions, and enzymatic degradation. R. Kusumi, Y. Nishio 74. Comparison of enzymatic pretreatments with three xylanases for enhancing hydrogen peroxide bleaching of wheat straw chemomechanical pulp. F. Hong 75. Efficient lipid production with Trichosporon fermentans and its use for biodiesel production. L. Y. Zhu, W. Y. Lou, H. Wu, M. H. Zong 76. Influence of a novel laboratory endoglucanase on the reactivity and accessibility of dissolving pulp. D. Ibarra, V. Köpcke, M. Ek 77. Nonaqueous enzymatic polymerization of bioactive sugars by surfactant-enveloped enzymes. S. Egusa, T. Kitaoka, Y. Ogawa, H. Wariishi, M. Goto 78. Quantum chemistry calculations of 13C chemical shifts for {beta}-D-glucose and {beta}-cellobiose. S. Suzuki, F. Horii, H. Kurosu 79. Recent advances in understanding the mechanism of action of CBH I cellulase through advanced MD simulations. R. C. Walker, M. R. Nimlos, M. F. Crowley, J. W. Brady, J. F. Matthews, L. Zhong, C. L. Brooks III, M. E. Himmel 80. Application of poultry litter-based activated carbon in wastewater treatment. G. Qiu, M. Guo 81. Batch and continuous adsorption of Cr(VI) using orange peels. B. Bilyeu, C. Barrera-Díaz, P. Balderas-Hernández, G. Roa-Morales 82. Removal of multiple toxic metals from mine drainage using cactus. B. Bilyeu, C. Barrera-Díaz, G. Roa-Morales, P. Balderas-Hernández, F. Ureña-Nuñez 83. Biodiesel production with microbial oil of high oleic acid content from a microalga Chlorella vulgaris No. 2. W. Zhang, W. Y. Lou, H. Wu, M. H. Zong 84. Converting organic residues to charcoal as soil amendments. Y. Lin, M. Guo 85. Fix-bed continuous flow biodiesel production from fish oil. P. Zhang, B. Wen 86. Infrared and spectral analysis of natural decomposition of leaf litter from the New Jersey pine barrens. K. Lammers, G. Arbuckle-Keil, J. Dighton

87. Landfill Mining as alternative way for waste reduction. S. M. Velázquez, N. Ortiz, N. O. Rivera, O. E. Félix 88. Lignocellulosic agriculture residues for biofuels production. C. Parra, C. Ocampos, J. Freer, J. Baeza 89. Production of butyric acid from acid hydrolysate of wastepaper by Clostridium tyrobutyricum. L. Jiang, J. F. Wang, S. Z. Liang, Z. N. Xu 90. Pyrolysis kinetics and decomposition characteristics of pine trees. S-S. Kim, Y-H. Park, J. Kim, Y-K. Park 91. Viscoelastic surfactant made from recycled vegetable oil and its application in petroleum industry. W. Wu, Z. Zhang 92. Characterization of cellulose fibers hydrophobically modified with alkyl ketene dimers. Y. Yoshida, A. Isogai 93. Characterization of hydrogen bonding in native cellulose by high-resolution solidstate 1H, 13C, and 2H NMR spectroscopies. Q. Luo, S. Suzuki, F. Horii, T. Shimizu, M. Tansho, K. Takegoshi, T. Mizuno, T. Nemoto 94. Characterization of cellulose fiber surfaces. F. J. Schmied, C. Teichert, A. T. Horvath, R. Schennach 95. Characterization of regenerated hemicelluloses. R. Junli, P. Feng, L. Weiying, L. Chuanfu, S. Runcang 96. Chemical composition, fiber morphology and pulping properties of the bast of Broussonetia Papyrifera. L. Weiying, L. Chuanfu, R. Junli, S. Runcang, S. Yinquan 97. Degradation and decrystallization of cellulose in ionic liquids. C. Liu, A-P. Zhang, R. Sun, F. Peng, W-Y. Li 98. Effect of phosphorus compounds on burning behavior of cellulose. S. Gaan, V. Salimova, D. Nazarov 99. Enhancement of photocurrent generation from cellulose Langmuir-Blodgett films containing porphyrin moieties: The effect of central metals in the porphyrin ring and fullerene. K. Sakakibara, F. Nakatsubo 100. Evidence for drying-induced chiral internal stress in paper sheets. T. Abitbol, D. G. Gray 101. Hybridization of cellulose nanofibers and vaterite form calcium carbonate. Y. Mori, T. Enomae, A. Isogai 102. Langmuir-Blodgett films of cellulose nanocrystals and their interfacial behavior. Y. Habibi, X. Turon, S. Ahola, M. Österberg, J. Zoppe, O. J. Rojas 103. Micropatterning of cellulose nanocrystals by ink-jet printing. F. Navarro, M. Roman 104. Ultrathin cellulose fibrils from parenchymal tissues. H. Niimura, Y. Matsumoto, S. Kimura, S. Kuga 105. Modification of bulk cellulose to generate antiviral surfaces. J. I. Rizzo, J. Nicotri, G. Wan, K. Melkonian, M. Michta, A. Adelmann, A. Melkonian, R. Engel 106. Near infrared spectroscopy and multivariate analysis for estimation of hexenuronic acids in kraft pulps of Eucalyptus globulus. M. Monrroy, J. Freer, J. Baeza, J. Rodriguez, J. Ruiz, A. Ferraz, R. Mendonça 107. Orientation of cellulose microfibrils under various types of magnetic fields. F. Kimura, T. Kimura 108. Proton conduction in hydrated polysaccharide membrane. D. Sawada, S. Kimura, M. Wada, S. Kuga 109. Regulated movements and cellulose nanofiber deposition of Acetobacter Xylinum on polysaccharide templates as a scaffold. W. Kasai, M. Nojiri, Y. Hishikawa, E. Togawa, D. Romanovicz, R. M. Brown Jr., T. Kondo 110. Spectrofluorometric study in aqueous solution of complex inclusion compounds between ␤-cyclodextrin and fluorescent whitening agents of the type stilbene sulfonate and benzoxazole. C. A. Ramírez, J. A. Andrade, H. J. Contreras, L. R. Bravo, H. Regla, G. Toriz, E. Delgado 111. Structural features of cellulose microfibrils observed by FTIR technique combined with deuteration/rehydrogenation at elevated temperature. Y. Horikawa, J. Sugiyama 112. Study on the improvement of paraffin technique and the morphology of Usnea betulina. P. Feng, R. Junli, S. Runcang, S. Yinquan

113. Surface modification of cellulose fiber using polycaprolactone via host-guest inclusion complexation. Q. Zhao, Y. Yang, R. C. M. Yam, R. K. Y. Li 114. The critical concentration of cellulose/ ZnCl2 solution. X. Zhao, J. Xiong, J. Ye, Y. Chen 115. The morphology of cellulose nanofibers obtained using the aqueous counter collision. R. Kose, T. Kondo 116. Antimicrobial polyester. X. Ren, S. D. Worley, L. Kou, H. B. Kocer, C. Zhu, R. M. Broughton, T. S. Huang 117. Self-decontaminating fabrics for protection against chemical warfare agents. Y. Lee, K. Bailey, A. Riecker, C. Gomes, J. P. Puglia 118. Cellulose acetate as raw material for synthesis cellulose beads. K. G. Thümmler, B. Volkert, K. Hettrich, S. Fischer 119. Effects of reactive dyeing and cellulase treatment on the pilling properties of cotton knitted fabric. C-W. Kan 120. Hydrolytic stability of perfluoropolyether macroinitiated polylactide. A. Singh, M. J. Drews, D. W. Smith Jr. 121. N-halamine diol coating of cotton with the cross-linking agent BTCA. X. Ren, S. D. Worley, C. Zhu, L. Kou, A. Akdag, H. B. Kocer, R. M. Broughton, T. S. Huang 122. The relationship of reactive dyeing and cellulase treatment on some properties of cotton knitted fabric. C-W. Kan 123. Poly(propylene carbonate)-konjac glucomannan blend. D. Xie 124. Rapid method for isolation of lignin from wheat straw. A-P. Zhang, R. Sun, C-F. Liu 125. Controlled exchange of cooking liquor compositions during kraft cooking: Effect on delignification and degradation reactions of carbohydrates. J. Bogren, H. Brelid, H. Theliander 126. Cellulose nanocrystals as additives for wood adhesives. J. K. Hong, C. E. Frazier, M. Roman

MONDAY MORNING Section A Morial Convention Center Rm. R07 Structure and Properties of Cellulosic Polymers, Assemblies, and Nanocomposites Anselme Payen Award Symposium Honoring Professor Fumitaka Horii

Y. Nishio, J. Sugiyama, and W. T. Winter, Organizers A. Isogai and D. G. Gray, Presiding 8:00 127. Electrospun polyethylene glycol/ cellulose acetate ultrafine fibers for thermal energy storage. Y. Huang, C. Chen, L. Wang 8:30 128. Preparation of cellulose single nanofibers by TEMPO-mediated oxidation of native celluloses: Fundamentals and applications. A. Isogai, T. Saito, H. Fukuzumi, Y. Okita 9:00 129. Bacterial cellulosebased nanocomposites with controlled cartilagelike mechanical properties. D. O. Klemm, F. Kramer, F. Wesarg, D. A. Schumann, W. Fried 9:30 130. Patterning in movements and deposition of the secreted cellulose nanofiber of Acetobacter xylinum directed by an interfacial interaction on ordered chitin templates. T. Kondo, W. Kasai, M. Nojiri, Y. Hishikawa, E. Togawa, D. Romanovicz, R. M. Brown Jr. 10:00 Intermission.

10:15 131. Assembly of cellulose and other polysaccharide building blocks into hierarchical materials. P. Gatenholm 10:45 132. Effects of added electrolytes on the phase separation behavior in aqueous suspensions of bacterial cellulose microfibrils and on the magnetic alignment of the chiral nematic phase. A. Hirai, O. Inui, F. Horii, S. Yamamoto, M. Tsuji 11:15 133. Chiral structures in plants. D. G. Gray

Section B Morial Convention Center Rm. R08 Biomedical Applications of Cellulose-Based Materials Fibers, Gels and Protein Interactions

D. O. Klemm and J. V. Edwards, Organizers P. Gatenholm, Organizer, Presiding 8:25 Introductory Remarks. 8:30 134. Cellulose aerogels: Highly porous, ultralightweight biomaterials. F. Liebner, E. Haimer, M. Wendland, A. Potthast, T. Rosenau 9:00 135. Microencapsulation of biological objects with cellulose sulfate. K. Hettrich, W. Wagenknecht, B. Volkert, S. Fischer 9:30 136. Novel photocrosslinked methylcellulose hydrogels for soft tissue engineering. S. S. Stalling, S. O. Akintoye, S. B. Nicoll 10:00 Intermission. 10:15 137. Functional hydrogels and nanofibers from enzymatically-modified polysaccharides for drug delivery. A. Chu, S. A. Khan 10:45 138. Conjugation of chemotherapeutics to carboxymethyl cellulose as a potential system for drug delivery and controlled release. M. L. Dennis, A. Knihnicky, C. A. Martey-Ochola

Section C Morial Convention Center Rm. R09 Cellulose Solvents Past and Future

T. Liebert, Organizer K. Edgar and T. Heinze, Organizers, Presiding 8:20 139. Cellulose solvents: Remarkable history and bright future. T. Liebert 9:00 140. Dissolution-swelling transition in cellulose fibers: The influence of water. P. Navard, N. Le Moigne, M. Spinu 9:30 141. Unique self-assembly of cellulose in NaOH-urea aqueous system at low temperature. L. Zhang, J. Cai, S. Liu, X. Chen, B. Chu, X. Guo, J. Xu 10:00 Intermission. 10:15 142. New solvents for cellulose: Dimethyl sulfoxide/ammonium fluorides. T. Heinze, S. Köhler 10:45 143. Preparation of superabsorbent hydrogels based on cellulose and chitin in some nonaqueous aprotic solvents and their characterization. T. Yoshimura, R. Fujioka 11:15 144. Studies on DMSO-containing carbanilation mixtures: Chemistry, oxidations and cellulose integrity. T. Rosenau, A. Potthast, U. Henniges, E. Kloser

Section D Morial Convention Center Rm. 232 Cellulose-Based and Other Green Composites Cosponsored by ENGENV


J. P. Hinestroza and A. N. Netravali, Organizers 7:55 Introductory Remarks. 8:00 145. Biodegradable polymer blends and composites from proteins produced by animal coproducts industry. S. Sharma, J. Hodges, I. Luzinov

TECH–19

TECHNICAL PROGRAM

CELL 8:30 146. Easy synthesis of noble-metal nanoparticles/wood biocomposites. V. Sanchez-Mendieta, R. A. Morales-Luckie, R. M. Gomez-Espinosa, J. P. Hinestroza 9:00 147. Polycaprolactone (PCL)/rice husk (RH) ecocomposites: Physical properties and biodegradation behavior. R. K. Y. Li, Q. Zhao, J. Tao, R. C. M. Yam, C. Song 9:30 148. Nanocomposite fibers electrospun from biodegradable polymers. C. Xiang, M. W. Frey 10:00 Intermission. 10:15 149. Synthesis and applications of plant oil composites reinforced by cellulose fibers. H. Uyama 10:45 150. Cellulose and cellulose/carbon nanotubes composite fiber processed from ionic liquid. A. Rasheed, S. Rahtekar, R. Jain, J. W. Gilman Sr., S. Kumar, A. H. Windle, K. Koziol 11:15 151. Cellulose fibers and microcellular foam starch composites. R. A. Venditti, J. J. Pawlak, A. R. Rutledge, J. L. Cibils Bioenergy and Carbohydrate Structure: Modeling and Experiment Sponsored by CARB, Cosponsored by CELL and ENGENV

MONDAY AFTERNOON Section A Morial Convention Center Rm. R07 Structure and Properties of Cellulosic Polymers, Assemblies, and Nanocomposites Anselme Payen Award Symposium Honoring Professor Fumitaka Horii

Y. Nishio, Organizer W. T. Winter and J. Sugiyama, Organizers, Presiding 1:00 152. Structures and interaction properties of cellulose revealed by molecular modeling. K. Mazeau 1:30 153. Structural and mechanical analysis of cellulose using Raman spectroscopy and X-ray diffraction. S. J. Eichhorn 2:00 154. Structural investigations of crystalline cellulosics. P. Zugenmaier 2:30 155. NMR for the softer regions in polysaccharides. W. T. Winter, D. Barnhart 3:00 Intermission. 3:15 156. Dimensions and structure of wood and primary cell wall cellulose microfibrils. A. N. Fernandes, M. C. Jarvis, A. Sturcova, D. C. Apperley, C. J. Kennedy, A. Parkin, T. J. Wess, C. Altaner 3:45 157. Surface structure of native cellulose fibrils. T. Iversen, P. T. Larsson, K. Wickholm, V. Bulone 4:15 158. Recent progress in MD simulations of the CBH I cellulase from T. Reesei bound to cellulose microfibrils. J. W. Brady, L. Zhong, J. F. Matthews, M. F. Crowley, J. M. Cleary, R. C. Walker, M. R. Nimlos, C. L. Brooks III, M. E. Himmel

Section B Morial Convention Center Rm. R08 Biomedical Applications of Cellulose-Based Materials Fibers, Gels and Protein Interactions

D. O. Klemm and P. Gatenholm, Organizers J. V. Edwards, Organizer, Presiding 1:30 159. Comparison of two protein binding models to explain the surface-mediated unfolding kinetics of globular proteins on cellulose and polymer beads. A. N. Patananan, J. V. Edwards, S. C. Goheen 2:00 160. Cellulose-binding modules for medical applications. N. Martins Silva, T. Matama, M. Casal, A. Cavaco-Paulo 2:30 161. Hybrid core-sheath nanofiber structures for medical applications. A. K. Moghe, B. S. Gupta

20–TECH

3:00 Intermission. 3:15 162. New development of polymerbased cotton for breathable material. S. Chang, B. Condon, N. Prevost 3:45 163. Modifications to cellulose as cotton-cased crotease-lowering and hemostatic wound agents. J. V. Edwards, P. S. Howley, B. Condon, N. T. Prevost, S. Goheen, J. Arnold, R. F. Diegelmann

Section C Morial Convention Center Rm. R09 Cellulose Solvents Fibers and Biomass

T. Liebert, T. Heinze, and K. Edgar, Organizers

Bioenergy and Carbohydrate Structure: Modeling and Experiment Sponsored by CARB, Cosponsored by CELL and ENGENV

1:20 164. Dissolution and processing of cellulosic and related biomass with ionic liquids: Fundamentals and applications. R. D. Rogers, M. Rahman, Y. Qin, N. Sun, M. L. Maxim 2:00 165. Fluoride ionic liquids: A new class of superefficient solvents for H-bonded materials. L. E. Fried, A. Maiti, P. F. Pagoria, A. E. Gash, C. Orme, R. Gee 2:30 166. Thorough chemical modification of wood-based lignocellulosic materials in ionic liquids. H. Xie, D. S. Argyropoulos, A. W. T. King, I. Kilpeläinen, M. Granstrom 3:00 Intermission. 3:15 167. Aspects of the interaction of native and synthetic polymers with direct dissolving liquids. F. Meister, B. Kosan, K. Schwikal, A. Nechwatal, S. Hesse-Ertelt, F. Hermanutz 3:45 168. Application of ionic liquids in the manufacture of cellulose fibers. G. Bentivoglio, T. Röder, H. Schottenberger, H. Sixta 4:15 169. Application of ionic liquids to create an environmental friendly process technology for cellulose fibers. Y. Zhang, L. Cheng, S. Wan, F. Pang, H. Wang Sr.

Section D Morial Convention Center Rm. 232 Cellulose-Based and Other Green Composites Cosponsored by ENGENV

J. P. Hinestroza and A. N. Netravali, Organizers 12:55 Introductory Remarks. 1:00 170. Hybrid green composites using soy protein, kenaf fibers and fibrillated bamboo. A. N. Netravali, Y. Yamamoto 1:30 171. Completely biobased composites of keratin and cellulose fibers. N. Budhavaram, J. R. Barone 2:00 172. Controlled deposition of silver nanoparticles on cellulosic nanofibers. N. L. Birbach, H. Dong, J. P. Hinestroza 2:30 173. Effect of compatibilization and nanoclay inclusion on the thermal dependency of Young’s moduli of wood/polymer composites. M. E. Hetzer, D. De Kee, T. Poloso 3:00 Intermission. 3:15 174. Biodegradable films prepared from cellulose in NaOH-urea aqueous system via green process. L. Zhang, H. Qi 3:45 175. Evaluation of heat sealability of wheat gluten films. S-W. Cho, M. S. Hedenqvist 4:15 176. Insulation material made from wheat gluten. T. O. J. Blomfeldt, M. S. Hedenqvist, E. Johansson



MONDAY EVENING Section A

Cellulose Solvents New Media and Reactions

Morial Convention Center Hall A

T. Liebert, T. Heinze, and K. Edgar, Organizers

Sci-Mix

O. J. Rojas, Organizer 8:00–10:00 41-43, 46, 51, 53, 58-60, 63, 75, 77, 79, 83, 88, 91, 97, 99-100, 104-105, 108, 113. See previous listings.

TUESDAY MORNING C. M. Buchanan and R. D. Rogers, Presiding

Section C

Section A Morial Convention Center Rm. R07 Structure and Properties of Cellulosic Polymers, Assemblies, and Nanocomposites Anselme Payen Award Symposium Honoring Professor Fumitaka Horii

Y. Nishio, Organizer W. T. Winter and J. Sugiyama, Organizers, Presiding 8:00 177. Intercalation behavior of amine molecules into cellulose crystals. M. Wada 8:30 178. Molecular dynamics simulations of cellulose allomorphs. J. F. Matthews, M. E. Himmel, J. W. Brady 9:00 179. Crystal structure refinement of cellulose using NMR constraints. U. Sternberg, R. Witter, A. S. Ulrich 9:30 180. Nanoscale nucleation of cellulose I during isolation, regeneration and in cellulose IV. R. H. Atalla 10:00 Intermission. 10:15 181. NMR studies on the cellulose I-EDA complex as intermediate of transformation from cellulose I to Cellulose III. T. Erata 10:45 182. Aspects of cellulose ultrastructure from solid state NMR experiments. L. Heux 11:15 183. Crystal structure of cyclohexyl 4’-O-cyclohexyl-{beta}-D-glucopyranosyl(1→4)-{beta}-D-glucopyranoside. Y. Yoneda, K. Mereiter, P. Kosma, T. Rosenau, A. D. French

Section B Morial Convention Center Rm. R08 Advances in Molecular Spectroscopy and Analyses of Cellulose Products

J. Rodgers, Organizer 7:30 184. Chemical differences in wood fibers and mechanical pulp by Raman spectroscopy. T. Hänninen, E. Kontturi, T. Vuorinen 8:00 185. Characterization of cellulose based materials by confocal Raman imaging: Wood cell wall and nanocellulose-polypropylene composite. U. P. Agarwal, R. C. Sabo, R. S. Reiner, C. M. Clemons 8:30 186. Raman spectroscopy of paper using fluorescence rejection method. S. V. Shilov, T. J. Tague, J. Zhao 9:00 187. Determining degree of mercerization of cotton textiles by NIR spectroscopy. M. L. Wallace 9:30 188. Cotton micronaire measurements by portable NIR: From the laboratory to the field. J. Rodgers, S. Y. Kang, G. Davidonis, V. Martin, M. Watson 10:00 Intermission. 10:15 189. Discrimination of cellulosic raw materials using an FT-NIR analyzer. T. Strother 10:45 190. Modeling of cotton NIR reflectance spectra. J. G. Montalvo Jr. 11:15 191. Low resolution NMR studies of hydrated cellulosic fibres. R. N. Ibbett, K. C. Schuster, M. Fasching, G. Zuckerstätter

T. Rosenau and H. Sixta, Presiding 8:30 192. Cellulose dissolution in ethylene diamine/salt systems. M. Xiao, M. W. Frey 9:00 193. Inorganic molten salts: A new reaction medium for cellulose. S. Fischer, K. G. Thümmler 9:30 194. Influence of the synthetic pathway on the properties of cellulose ethers. B. Volkert, W. Wagenknecht 10:00 Intermission. 10:15 195. Interfacial and rheological properties of enzymatically treated cellulose solutions. P. Fardim, P. Rosenberg, T. Budtova 10:45 196. Cellulose solutions in NaOH/ water and ionic liquid (EMIMAc): Similarities and differences. T. Budtova, M. Gericke, M. Egal, C. Roy, P. Navard, T. Heinze, T. Liebert 11:15 197. Low-cost cellulose solvent (concentrated phosphoric acid)-based lignocellulose fractionation. Y-H. P. Zhang, G. Moxley, Z. Z. Zhu Bioenergy and Carbohydrate Structure: Modeling and Experiment Sponsored by CARB, Cosponsored by CELL and ENGENV

TUESDAY AFTERNOON Section A Morial Convention Center Rm. R07 Structure and Properties of Cellulosic Polymers, Assemblies, and Nanocomposites Anselme Payen Award Symposium Honoring Professor Fumitaka Horii and Award Lecture

J. Sugiyama and W. T. Winter, Organizers Y. Nishio, Organizer, Presiding 2:00 Graduate Student Award Recipient. 2:30 198. Potential of cellulosics as a functional material. T. Shibata 3:00 199. Localization of cystalline allomorphs in algal cellulose microfibril. J. Sugiyama, Y. Horikawa 3:30 200. Processing of cellulosic materials under magnetic field. T. Kimura, F. Kimura 4:00 Intermission. 4:15 201. New developments in the characterization of the ordered and disordered structure for native cellulose. F. Horii

Section B Morial Convention Center Rm. R08 Surface Modification and Properties of Cellulose-Based Materials Model Cellulose Surfaces

P. Stenius and J. Laine, Organizers 1:15 Introductory Remarks. 1:30 202. Effect of crystallinity on surface wetting hysteresis for model cellulose surfaces. T. A. Dankovich, D. G. Gray 2:00 203. Hydrophobically modified cellulose model surfaces: Characterization and application in enzyme adsorption studies. M. Suchy, L. Nyfors, E. Kontturi, J. Laine, T. Vuorinen 2:30 204. Methods to render paper superhydrophobic. O. Werner, C. Quan, C. Turner, L. Wågberg


CELL 3:00 Intermission. 3:15 205. On the differences between Langmuir-Blodgett deposited and spin coated cellulose films. E. Kontturi, M. Österberg, A. Lankinen 3:45 206. Preparation, characterization and wetting of fluorinated cellulose surfaces. C. Aulin, L. Wågberg, T. Lindström

Section C Morial Convention Center Rm. R09 Cellulose Solvents Cellulose Chemistry

T. Heinze and K. Edgar, Organizers P. Fardim, Presiding T. Liebert, Organizer, Presiding 1:00 207. Esterification of cellulose dissolved in ionic liquids. C. M. Buchanan, N. L. Buchanan 1:30 208. Novel cellulose products prepared by homogeneous functionalization of cellulose in ionic liquids. T. Heinze, S. Dorn 2:00 209. Imidazolium based ionic liquids as solvents for cellulose chemistry. T. Erdmenger, J. Vitz, U. S. Schubert 2:30 Intermission. 2:45 210. Solution behavior of cellulose in a low-viscose and halide free ionic liquid [BMIM]COOH. W. Liu Sr., D. Liang, M. Yu, H. Wang Sr. 3:15 211. Succinoylation of cellulose in ionic liquid using NBS as a catalyst. C-F. Liu, W-Y. Li, A-P. Zhang, J-L. Ren, R. Sun, J-Y. Deng 3:45 212. Novel ionic solvents for lignocellulose analysis and derivatization. A. W. T. King, H. Sun, H. Xie, I. Kilpeläinen, D. S. Argyropoulos Bioenergy and Carbohydrate Structure: Modeling and Experiment Sponsored by CARB, Cosponsored by CELL and ENGENV

11:30 218. Comparison of acid and enzymatic hydrolysis of hardwood hemicelluloses for the development on an integrated forest biorefinery. L. B. Graham, A. O’Farrill, J. M. Genco, R. C. Fort Jr., B. J. W. Cole

Section B Morial Convention Center Rm. R08 Surface Modification and Properties of Cellulose-Based Materials Preparation and Properties of Cellulose Fibrils

P. Stenius and J. Laine, Organizers 8:30 219. Hygro-expansive behaviors of cellulose fibrils from kraft pulp-based fibers. J. M. Lee, J. J. Pawlak, J. A. Heitmann 9:00 220. Withdrawn. 9:30 221. Effects of fiber size and size distribution on performance of cellulose-reinforced composites. R. K. Johnson, A. Zink-Sharp, W. G. Glasser 10:00 Intermission. 10:15 222. Chemical routes for functional redispersible cellulose nanofibrils. N. Bordeanu, C. Eyholzer, T. Zimmermann, K. Richter 10:45 223. Strength and permeability of microfibrillar cellulose films. K. Syverud, P. Stenius, M. Andresen 11:15 224. Preparation of opto-active materials from microfibrillated cellulose. L. Wagberg, H. Granberg, S. Forsberg

Section C Morial Convention Center Rm. R09 Biobased Nanocomposites and Nanotechnology

J. Simonsen and S. J. Eichhorn, Organizers

WEDNESDAY MORNING Section A Morial Convention Center Rm. R07 Cellulase Enzyme

M. E. Himmel, Organizer 9:00 213. “Emerging cellulases”: Genomic analyses of cellulolytic microbes provide new paradigms of cellulose degradation. L. E. Taylor II, W. S. Adney, S. R. Decker, R. M. Weiner, M. E. Himmel 9:30 214. Free vs. cellulosomal enzymes as designer cellulosome components. E. A. Bayer, J. Caspi, S. Ouanounou, F. Mingardon, H. Gilary, Y. Barkan, Y. Barak, D. Irwin, R. Lamed, H-P. Fierobe, D. B. Wilson 10:00 215. Deconstruction of biomass: Understanding enzyme/substrate interactions. W. S. Adney, L. E. Taylor II, D. Johnson, S. Park, E. P. Knoshaug, M. R. Nimlos, S. R. Decker, T. B. Vinzant, M. J. Selig, M. E. Himmel 10:30 216. Chitin binding to cellulase catalytic domains. D. B. Wilson, Y. Li 11:00 217. Comparative study of three family 3 {beta}-glucosidases from Hypocrea jecorina. P. Ntarima, A. Fagerström, N. Callewaert, K. Piens, M. Scheffers, P. van Solingen, P. Neefe, D. Meijer, Y. Verburg, B. R. Kelemen, E. Larenas, S. Kim, C. Mitchinson

8:00 225. High potential of cellulose nanofibrils for technical applications. T. Zimmermann, N. Bordeanu, C. Eyholzer, K. Richter 8:30 226. Bacterial cellulose/polyvinyl alcohol nanocomposites. M-P. Laborie, E. Brown 9:00 227. Assembly and characterization of lignin nanostructured films and xylan nanoparticles. S. Renneckar, K. V. Pillai, D. Riedlinger, A. R. Esker 9:30 228. Mannan-cellulose nanocomposites. K. S. Mikkonen, A. P. Mathew, C. Xu, S. M. Willför, M. Tenkanen, K. Oksman Niska 10:00 Intermission. 10:15 229. Tying cellulose whiskers together. L. A. Goetz, A. J. Ragauskas, A. Mathew, K. Oksman 10:45 230. Microfiber composites with cellulose whiskers produced by electrospinning. G. A. Montero, O. J. Rojas 11:15 231. Synthesis and stabilization of inorganic nanoparticles in cellulose gel. J. Cai, S. Kimura, M. Wada, S. Kuga 11:45 232. Cellulose as a novel bioadditive for the preparation of stable colloids based on ionic liquids. C. Guerrero-Sanchez, T. Erdmenger, J. Vitz, U. S. Schubert

WEDNESDAY AFTERNOON Section A Morial Convention Center Rm. R07 Cellulase Enzyme

M. E. Himmel, Organizer


1:30 233. Analysis of functional divergence within cellulase families. B. Mertz, X. Gu, P. J. Reilly 2:00 234. Energetics of rearrangement of Family 1 carbohydrate-binding modules. M. Nimlos, M. F. Crowley, M. E. Himmel, J. M. Cleary, J. W. Brady, J. F. Matthews, L. Zhong, C. L. Brooks III, R. C. Walker

2:30 235. Mechanism and energetics of processive action of catalytic domain of the cellobiohydrolase, Cel7a, from Trichoderma reesei. M. F. Crowley 3:00 Intermission. 3:15 236. Stability and interactions of cellulases with lignocellulosic hydrolysis products. L. Wallace, N. Chow, B. R. Kelemen, S. Lantz, E. Larenas 3:45 237. The impact of various beta glucosidases on the specific performance of T. reesei cellulase mixtures. M. Fujdala, B. Caldwell, R. Chin, L. Edmundo 4:15 238. Toward in-depth understanding of cellulose hydrolysis mechanisms mediated by noncomplexed cellulases. Y-H. P. Zhang, Z. Zhu, J. Hong, X. Ye

Section B Morial Convention Center Rm. R08 Surface Modification and Properties of Cellulose-Based Materials Chemical and Enzymatic Modification

P. Stenius and J. Laine, Organizers 1:00 239. TEMPO-mediated oxidation of cellulose substrates. Y. Habibi, M. R. Vignon 1:30 240. Enzymatic modification of cellulose acetate with fusion proteins. T. Matama, R. Araujo, M. Casal, A. Cavaco-Paulo 2:00 241. Grafting antimicrobial polymers on the surface of cellulose fibers via in situ polymerization. L. Qian, Y. Guan, H. Xiao, A. Zheng, B. He 2:30 242. Modification of linerboard softwood kraft pulp with laccase and amino acids. S. Witayakran, A. J. Ragauskas 3:00 Intermission. 3:15 243. Controlled graft polymerization from cellulose. S. Perrier 3:45 244. Compatibilization of lignocellulosic fibers with synthetic polymers using triblock copolymers as coupling agents. P. Tingaut, N. Henry, T. G. Rials, D. P. Harper, M. D. Dadmun

Section C Morial Convention Center Rm. R09 Biobased Nanocomposites and Nanotechnology

J. Simonsen and S. J. Eichhorn, Organizers 1:00 245. Cellulose infiltrated carbon nanotube composites as supercapacitors and batteries. T. J. Simmons, D. P. Hashim, R. J. Linhardt, P. M. Ajayan 1:30 246. Modulation of zero-valent iron nanoparticles reduction of hexavalent chromium by carboxymethylcellulose encasement. C. A. Martey-Ochola, K. Grauer, K. Koller 2:00 247. Structure and properties of the regenerated cellulose/Fe3O4 nanocomposite films. J. Zhou, R. Li, S. Liu, Q. Li, L. Zhang 2:30 248. Immobilization of lipase onto ultrathin films of cellulose esters. D. F. S. Petri, P. M. Kosaka 3:00 Intermission. 3:15 249. Electrospun metal nanoparticlealginate based polymer blend nanofiber composites for biomedical applications. C. D. Saquing, J. L. Manasco, S. A. Khan 3:45 250. RNA lipid films with programmable mechanical, biodegradable and drug release properties. T. Neumann, S. Gajria, W. Smittipong, L. Jaeger, M. Tirrell Jr. 4:15 251. Preparation of bionanocomposites for medical applications. W. Stelte, A. Mathew, K. Oksman Niska 4:45 252. DNA/Cellulose hybrid nanomaterials. A. Mangalam, J. Simonsen, A. S. Benight

THURSDAY MORNING Section A Morial Convention Center Rm. R07 Cellulase Enzyme

M. E. Himmel, Organizer 8:30 253. Enzymatic hydrolysis of cellulose thin films with different crystallinities and morphologies studied by QCM-D and AFM techniques. X. Turon, S. Ahola, M. Österberg, O. J. Rojas 9:00 254. Adsorption studies of cellulase toward cotton cellulose. C. Caparrós, A. Cavaco-Paulo 9:30 255. Hydrolytic activity of immobilized cellulase onto silicon wafers. I. R. M. Tébéka, D. F. S. Petri 10:00 Intermission. 10:15 256. Partial characterization of crude cellulase from cirina forda westwood. E. C. Egwim, S. O. Ajeigbe 10:45 257. Study on the feasibility of converting kraft pulps into dissolving pulps: Accessibility and reactivity. V. Köpcke, D. Ibarra, M. Ek 11:15 258. Effect of cellulose oxidation on cellulase-catalyzed hydrolysis. F. Xu, H. Ding, A. Tejirian

Section B Morial Convention Center Rm. R08 Surface Modification and Properties of Cellulose-Based Materials Adsorption of Polysaccharides

P. Stenius and J. Laine, Organizers 8:30 259. Adsorption of cationic starch on cellulose and silica studied by QCM-D and XPS. P. Stenius, K. S. Kontturi, L-S. Johansson, T. Tammelin 9:00 260. Top-down grafting of xyloglucan to gold monitored by QCM-D and AFM: Enzymatic activity and interactions with cellulose. N. Nordgren, J. Eklöf, Q. Zhou, H. Brumer, M. W. Rutland 9:30 261. Modification of cellulose fibers by controlled adsorption of xylans with various molecular structures. T. Köhnke, P. Gatenholm 10:00 Intermission. 10:15 262. Interactions between rod-like cellulose nanocrystals and xylan derivatives: A light scattering study. J. H. Sim, K. Schwikal, T. Heinze, S. Dong, M. Roman, A. R. Esker 10:45 263. Adsorption behavior of pullulan derivatives onto regenerated cellulose surfaces via surface plasmon resonance spectroscopy. Z. Liu, A. Kaya, W. Glasser, A. R. Esker 11:15 264. Adsorption of hydroxypropyltrimethylammonium xylan onto self-assembled monolayers and model cellulose surfaces. A. Kaya, D. A. Drazenovich, W. Glasser, K. Scwikal, T. J. Heinze, A. R. Esker

Section C Morial Convention Center Rm. R09 Nanotechnology: A Fiber Perspective

L. Lucia and D. S. Argyropoulos, Organizers 8:20 Introductory Remarks. 8:30 265. Cellulose aggregate structure: Variation and relation to properties. L. Salmén 9:00 266. Determination of the accessible hydroxyl groups in cellulose by using phosphitylation and 31P NMR spectroscopy. I. Filpponen, L. A. Lucia, D. S. Argyropoulos

TECH–21

TECHNICAL PROGRAM

CELL/CHED 9:30 267. Characterization of mechanically and enzymatically produced nanofibrillated cellulose (NFC) from wood pulp. N. Sidduqui, R. Lena, D. Bousfield, R. Mills, D. J. Gardner, R. C. Fort Jr., B. J. W. Cole 10:00 Intermission. 10:15 268. Facile in situ syntheses of monoand bimetallic nanoparticles on cellulose nanocrystal. Y. Shin, I-T. Bae, B. W. Arey, G. J. Exarhos 10:45 269. Cellulose nanocrystals as scaffolds for nanodevices. I. Filpponen, L. A. Lucia, D. S. Argyropoulos 11:15 270. Encapsulation of fluorescent dyes in cyclodextrins for brightness enhancement of paper. E. Delgado, C. A. Ramírez, G. Toriz, J. A. Andrade, H. J. Contreras, L. R. Bravo, H. Regla

THURSDAY AFTERNOON Section A Morial Convention Center Rm. R07 Renewable Chemicals from Plant and Animal-Based Agricultural Wastes Cosponsored by ENGENV

I. M. Lima and K. Fitzmorris, Organizers 12:50 Introductory Remarks. 1:00 271. Analysis of trihalomethane adsorption by a broiler manure-based carbon using solid phase microextraction and purge and trap techniques. I. M. Lima, T. K. Klasson 1:30 272. Application of organic wastesderived charcoal for soil quality improvement. M. Guo, Y. Lin 2:00 273. Simple esters of crude glycerol and citric acid. N. Budhavaram, J. R. Barone 2:30 274. Perfluoropolyether macroinitiated polylactide with unique surface and crystallization properties. A. Singh, M. J. Drews, D. W. Smith Jr. 3:00 Intermission. 3:15 275. Effect of isolation conditions on the structure and material properties of barley arabinoxylans. A. Höije, P. Gatenholm 3:45 276. Microbial lipid production with mixture sugar by Rhodotorula glutin. J. Zhang, H. Liu, J. Li, J. Liu 4:15 277. Isolation of hemicelluloses and lignin in high yield and purity from mild ball-milled Periploca sepium. F. Xu, R. Sun, J. Sun, M. Zhai

Section B Morial Convention Center Rm. R08 Surface Modification and Properties of Cellulose-Based Materials Adsorption of Polyelectrolytes

P. Stenius and J. Laine, Organizers 1:30 278. Adsorption of polyampholytes on silica and cellulose surfaces. J. Song, O. J. Rojas, M. A. Hubbe 2:00 279. Polyelectrolyte diffusion into cellulose fibers: Tailoring the surface from the bulk. A. T. Horvath, A. E. Horvath, L. Wagberg 2:30 280. Structural details of cellulose nanocrystals/polyelectrolytes multilayers probed by neutron reflectivity and AFM. B. Jean, L. Heux, F. Dubreuil, F. Cousin 3:00 Intermission. 3:15 281. Novel high-speed jet mixing method for the formation of polyelectrolyte complexes used for fiber surface modification. C. Ankerfors, L. Wågberg, L. Ödberg, J. Carlén, M. Persson 3:45 282. Colloid-probe AFM of polyelectrolyte multilayers containing cellulose nanocrystals. E. D. Cranston, D. G. Gray 4:15 283. Making biointeractive fibers: Buildup of antibacterial multilayers studied by QCM-D and SPAR. J. Karlsson, M. Ek, L-E. Enarsson, L. Wagberg


22–TECH

Section C

Section B


Hilton New Orleans Riverside Melrose

Nanotechnology: A Fiber Perspective

Visualization and Learning Chemistry Classroom Visualization Exercises

L. Lucia and D. S. Argyropoulos, Organizers

C. L. Aronson, Organizer, Presiding

1:30 284. A facile fabrication of tunable submicro- or nanostructured polyethylene materials from cellulose ester blends. D. Wang, G. Sun 2:00 285. Cellulose composite fibers prepared from ionic liquid-based solution. N. Sun, R. P. Swatloski, M. L. Maxim, M. Rahman, A. G. Harland, A. Haque, S. K. Spear, D. T. Daly, R. D. Rogers 2:30 286. Adsorption and friction of triblock polymer on polypropylene, polyethylene, and cellulose fiber surfaces in boundary lubrication. Y. Li, O. J. Rojas, J. P. Hinestroza 3:00 Intermission. 3:15 287. Stability of macromolecular lignin domains: Causes and consequences. Y-R. Chen, S. Sarkanen 3:45 288. On the propensity of lignin to associate static light scattering measurements on native lignins. I. S. Contreras, A. R. Gaspar, A. Guerra, L. A. Lucia, D. Argyropoulos 4:15 289. Stone cells in southern pine bark: Architecture and cell wall chemistry. T. L. Eberhardt, T. Elder, T. C. Pesacreta 4:45 Concluding Remarks.

CHED Division of Chemical Education J. M. Smist, T. Jordan, and R. W. Schwenz, Program Chairs

OTHER SYMPOSIA OF INTEREST: America Competes: Innovations in Science Education for the 21st Century (see PRES, Sun) Celebrating Ten Years of Beckman Scholars in Chemistry (see PRES, Sun, Mon) Transformation of Library Services in the Digital Age (see CINF, Sun)

SOCIAL EVENTS: Luncheon: Sun Reception: Sun Social Hour: Sun

8:30 Introductory Remarks. 8:35 5. Helping learners understand chemistry by visualizing the unseen. J. I. Selco, M. Bruno, S. Chan 8:55 6. Chemical principles visualized. D. A. Katz 9:15 7. Chemistry and Itunes: Expanding learning through technology. N. J. Gardner, W. Gajewski 9:35 Intermission. 9:45 8. Incorporating spectral reference sources and software into chemical information and spectroscopy laboratory assignments. A. Langley, L. Collins 10:05 9. Role of scientific cartoons in teaching of chemistry, biology and engineering. N. K. Sharma 10:25 10. Visualizing molarity (M) with macroscopic metaphors. J. C. Noveron, R. Roacho 10:45 Discussion. 11:05 Concluding Remarks.

Section C Hilton New Orleans Riverside Magnolia POGIL: Process Oriented Guided Inquiry Learning

R. S. Moog, Organizer F. J. Creegan, Presiding 8:30 Introductory Remarks. 8:35 11. POGIL and the POGIL project. R. S. Moog 8:55 12. Development of a national achievement test to investigate the effects of using POGIL in general chemistry. D. M. Bunce, J. R. VandenPlas 9:15 13. Immediate feedback testing in a POGIL classroom. S. M. Ruder 9:35 Intermission. 9:45 14. Strategies for student success in gateway science courses. R. E. Riter 10:05 15. Improving retention in general chemistry: POGIL recitations for weaker math students. S. L. Bretz, M. E. Fay, M. O’Donnell 10:25 16. Implementation of a POGIL approach in a descriptive inorganic chemistry course. G. M. Edvenson 10:45 Intermission. 10:55 17. Creating a portable and coherent biochemistry course with an active learning emphasis. J. E. Lewis, J. Loertscher, V. Minderhout 11:15 Panel Discussion.

SUNDAY MORNING Section D Section A Hilton New Orleans Riverside Rosedown High School Day Program

L. Blanchard, Organizer S. Allen, Organizer, Presiding 8:30 Introductory Remarks. 8:35 1. Award Address (James Bryant Conant Award in High School Chemistry Teaching, sponsored by Thermo Fisher Scientific, Inc). Great demos and teaching strategies for high school and AP chemistry. R. Goodman 9:35 2. Green chemistry: Technologies to make a difference. K. R. Birdwhistell 10:05 Intermission. 10:15 3. Lowering students’ activation energy for learning chemistry. L. Hogue, A. Sarquis 11:15 4. From silly putty to superconductors: Careers in materials engineering and science. B. S. Mitchell

Hilton New Orleans Riverside Jasperwood Green Chemistry & Engineering: Equipping Scientists and Engineers to Achieve Sustainability Cosponsored by ENGENV

P. A. Hogan and M. Kirchhoff, Organizers, Presiding

8:35 18. Green chemistry for secondary educators: Instilling green principles in middle school science and high school chemistry. A. Ratcliffe 8:55 19. From traditional teaching topics to green chemistry and sustainability in industrial processes. D. G. Kovacs 9:15 20. “Environmentally Conscious Design and Manufacturing”: A course on sustainability. J. Aurandt 9:35 Intermission. 9:45 21. Authentic learning experience at community college: Sustainable business practices, green college campuses, and healthy living. R. A. Manghani, K. Francis-McWhite 10:05 22. Integrating green and sustainable chemistry at Bridgewater State College: From classroom to lab to office operations. E. J. Brush 10:25 23. Green chemistry education for nontraditional students. E. S. Beach, N. Eghbali, T. J. Sommer, J. B. Zimmerman, P. T. Anastas 10:45 24. Service learning projects in sustainability: Another teaching and learning avenue to promote green chemistry and engineering. P. A. Hogan

Section E Hilton New Orleans Riverside Oak Alley Faculty Development in Chemical Education Personal Experiences Cosponsored by PROF

B. Blake, Organizer, Presiding 8:30 Introductory Remarks. 8:35 25. A beginning chemical educator’s path from assistant professor to associate professor and center director. W. J. Donovan 9:00 26. From FT NMR to chemical epistemology: It is still research. G. M. Bodner 9:25 27. Developing an academic research program. G. Bhattacharyya 9:50 Intermission. 10:00 28. Putting students first: Opportunities and challenges associated with committing to the education of first-year chemistry students at a research-intensive university. D. B. Exton, P. Kelter 10:25 29. Learning to play the game. M. J. Sanger 10:50 30. Ten year process: From inorganic chemistry to chemical education. B. Blake 11:15 31. Another brick in the wall. T. J. Greenbowe 11:40 Concluding Remarks. NanoPower: Creating Energy for the Future Sponsored by I&EC, Cosponsored by CHED, ENGENV, and PRES Transformation of Library Services in the Digital Age Sponsored by CINF, Cosponsored by CHED Undergraduate Research at Two-year Colleges Sponsored by SOCED, Cosponsored by Council on Undergraduate Research, NSF-REU Chemistry Leadership Group, CMA, CHED, and YCC

SUNDAY AFTERNOON Section A Hilton New Orleans Riverside Rosedown High School Day Program

8:30 Introductory Remarks.

L. Blanchard, Organizer S. Allen, Organizer, Presiding


1:30 Introductory Remarks. 1:35 32. Chemical connections: Aerospace to teacher. M. Javery, M. C. McBain 2:05 33. Basic polymer chemistry for the high school classroom. D. A. Goodwin 3:05 Intermission. 3:15 34. Ready-to-use resources from the Journal of Chemical Education. J. W. Moore, L. N. Fanis, E. K. Jacobsen, L. E. Slocum

CHED 3:55 35. Dead chemists society presents: From molecules to bowling balls. W. C. Deese 4:55 36. Frontier research at the high school level. A. K. F. Rahman 5:15 Concluding Remarks.

Section B Hilton New Orleans Riverside Melrose Visualization and Learning Chemistry Molecular Modeling and Computation

C. L. Aronson, Organizer, Presiding 1:30 Introductory Remarks. 1:35 37. Utilizing a commercial computational platform within the undergraduate curriculum. M. J. D’Souza 1:55 38. Expert and novice visualizations of chemical equilibrium. S. Akaygun, L. Jones 2:15 39. Eye-tracking patterns of chemistry experts and novices while viewing animations. J. R. VandenPlas 2:35 Intermission. 2:45 40. Visualization and computational techniques for teaching polymer chemistry to engineering undergraduates. C. L. Aronson, J. A. Charbonneau, D. R. Knack, R. L. Aiken, M. S. Parker, T. D. Rau, E. M. McDermott, L. D. Aronson, D. Eddy, J. Gurst, M. T. Huggins 3:05 41. Visualizing and teaching where the reality of chemistry meets the imagination. P. Garik, A. D. Crosby, D. Dill, A. Golger, M. Z. Hoffman 3:25 42. Visualizing the molecular world. B. Venkataraman 3:45 Discussion. 4:05 Concluding Remarks.

Section D Hilton New Orleans Riverside Jasperwood Green Chemistry & Engineering: Equipping Scientists and Engineers to Achieve Sustainability Cosponsored by ENGENV

P. A. Hogan and M. Kirchhoff, Organizers, Presiding 1:30 Introductory Remarks. 1:35 50. Thinking outside the solvent: The catalyst for creation of green organic chemistry experiments. T. E. Goodwin 1:55 51. Sustaining the green revolution through green analytical education. L. Gron 2:15 52. Trash talk: The many green-chemical applications of post-consumer waste PLA. J. N. Boice, N. E. Lee, R. W. Gurney 2:35 Intermission. 2:45 53. Green asymmetric synthesis, an upper-level undergraduate, research based laboratory course. D. S. Bass, J. N. Boice, J. E. Haffner, H. Huang, V. S. Liu, B. M. Oheim, S. Y. Tsui, A. A. Warsame, N. E. Lee, R. W. Gurney 3:05 54. Environmental impact of green chemistry in developing economies. D. Shukla, A. Shukla, B. Wang, M. Musaddaq, S. Shukla 3:25 55. Is chemistry education sustainable? M. M. Kirchhoff 3:45 Discussion.

R. S. Moog, Organizer, Presiding 1:30 Introductory Remarks. 1:35 43. Enhancing POGIL activities with online homework. D. Krone, B. Howson 1:55 44. Logical thinking skills assessment in a preparatory chemistry course. J. L. March, C. P. McClure, B. F. Matin, S. M. Cooks 2:15 45. Preparatory chemistry students’ attitudes toward science. C. P. McClure, J. L. March 2:35 Intermission. 2:45 46. After four semesters of POGIL, what have I learned, what have they learned? L. D. Frost 3:05 47. Results of teaching general chemistry using Process Oriented Guided Inquiry Learning (POGIL) interactive methods. K. M. Elkins 3:25 48. Integrating tablet PCs into a POGIL introductory organic course. R. D. Libby 3:45 Intermission. 3:55 49. POGIL activities in the lecture integrated with the science writing heuristic laboratory format: An example from a one semester organic chemistry course for nonscience majors. J. D. Schroeder, T. J. Greenbowe 4:15 Panel Discussion.


Transformation of Library Services in the Digital Age Sponsored by CINF, Cosponsored by CHED Women Chemists in the National Inventors’ Hall of Fame: Telling Their Stories Sponsored by HIST, Cosponsored by CHED, TECH, WCC, and I&EC

SUNDAY EVENING Section A

Hilton New Orleans Riverside Oak Alley


Faculty Development in Chemical Education Diverse Institutions and Positions Cosponsored by PROF

General Posters

B. Blake, Organizer, Presiding

POGIL: Process Oriented Guided Inquiry Learning POGIL Across the Curriculum

NanoPower: Creating Energy for the Future Sponsored by I&EC, Cosponsored by CHED, ENGENV, and PRES

Section E

Section C Hilton New Orleans Riverside Magnolia

2:45 65. Collaborative materials research across university, industry, government and international laboratories. R. Hull 3:05 66. Research and education in the Penn State Center for Nanoscale Science. R. D. Redwing, J. Skluzacek, V. H. Crespi, T. E. Mallouk 3:25 67. Enhancing the participation of Puerto Rican men and women in materials research and education through a strong partnership: The UPRH-PENN PREM. I. Ramos 3:45 Intermission. 3:55 68. Howard/Hopkins/Prince George’s Community College PREM. J. B. Halpern, G. L. Harris, D. H. Reich, S. A. Sinex 4:15 69. CSULA-Caltech partnership for research and education in materials (PREM) program: Empowering students through research. F. A. Gomez 4:35 70. NSF support of research and education in biomaterials. D. A. Brant

1:30 Introductory Remarks. 1:35 56. Postdoctoral training in chemistry education. A. K. Szeto 2:00 57. Chemical education opportunities for community college faculty. K. J. Smith 2:25 58. Tenure and promotion at a small college: Looking back over 34 years of teaching. F. J. Torre 2:50 Intermission. 3:00 59. Structuring tenure-track science education faculty positions in CSU science departments. J. A. Rudd II, S. D. Bush, N. J. Pelaez, M. T. Stevens, K. S. Williams, K. D. Tanner 3:25 60. In the middle: Chemical education and professional development at a doctoral I comprehensive university. W. J. F. Hunter, F. Mumba, J. S. Carver 3:50 61. Dual appointments and the death of junior faculty: Possible solutions to a typical problem. E. G. Malina, S. D. Wiediger 4:15 Concluding Remarks.

Section F Hilton New Orleans Riverside Elmwood Research and Education in Material Science Partnerships in Education

P. C. Ray, C. Hawker, and M. W. Urban, Organizers C. R. Rinaldi, Presiding 1:30 Introductory Remarks. 1:35 62. Nanomaterials for environment protection: Promises and challenges. P. Ray 1:55 63. NSF-PREM: Multidisciplinary research and education in computational materials science. N. Kioussis 2:15 64. Materials informatics: A new pedagogical framework for materials chemistry. K. Rajan 2:35 Intermission.

R. Macaluso, Organizer, Presiding 7:30–9:30 71. Crystal face dependence of p-Cu2O stability as photocathode. C. Engel, K. Sowers, I. Weiss, A. Fillinger 72. Analyzing homemade biodiesel toward accreditation. J. Hershenson, A. Fillinger 73. Solid-phase peptide synthesis and characterization in the undergraduate lab. A. J. Langione, R. B. Davis Jr., K. M. Masters 74. Student centered outreach and inreach programs at Lamar University. S. Shukla, A. Shukla, M. Musaddaq, D. Shukla, R. Shukla 75. Simulations of electronic properties of disordered and self assembled soft materials. S. V. Kilina 76. Strategy for developing a nanoscience concept inventory. A. K. Szeto 77. 20th Biennial Conference on Chemical Education . S. M. Wietstock, K. Reck, R. Zibuck 78. Albion College: First ever women in science day. R. N. Lippert 79. Catch the chemistry bug: Community outreach. G. McManus, A. Shearer 80. Chemists Celebrate Earth Day 2008: Streaming chemistry. C. V. Gauthier, A. Jorgensen, M. Burgener, Y. Furukawa, K. M. Jackson, I. Montes, J. B. Trent 81. Developing and maintaining successful Chemists Celebrate Earth Day (CCED) programs. C. H. Jaworek-Lopes, P. G. Fox, C. V. Gauthier, I. Montes, T. Williams 82. Making connections: The city as a science classroom. M. Carnes, E. Kissoon, L. Fine, S. Brydges 83. Science resource center is in the best position. P. J. Iles, L. Giddings, R. Valcarce, N. Bastian, S. Seshadri, C. Roller, S. Bremmer, E. McGill, M. McKinnel, S. Kang, M. Hebert 84. SEGQuim: Enhancing the academic experience in graduate chemistry school. I. Rodriguez, R. Cardona, R. Montano, K. Gonzalez, B. Casañas, A. Diaz 85. Spectrum of interactive activity for NCW. H. Truitt, J. W. Harworth, B. R. Lyda, K. Nelson, T. Rajale, R. Schaffer, S. Sharma, N. R. Natale 86. Withdrawn.

87. Using nanoscience as a focus for science outreach activities. B. A. Reisner, B. H. Augustine, K. L. Caran, S. A. Paulson 88. A new semester-long inquiry-based general chemistry laboratory. J. G. Morton, C. H. Londergan 89. Action and strategies for improving performance in general chemistry at Florida A&M University. J. Edwards III, S. Roberts, J. Robinson, A. Addison, M. Ignatz, R. Giroux, M. Weininger, R. B. Little, B. Mochona, M. Owens, M. Blanchard 90. Asymmetric synthesis of warfarin in the undergraduate laboratory. D. A. Vosburg, T. C. Wong 91. Investigation of energy misconceptions in general chemistry students. A. O. Gonzales, M. M. Cooper 92. Chemical bingo: Introducing the elements. P. J. Iles, L. Giddings, R. Valcarce, N. Bastian, S. Seshadri, M. Hebert, S. Kang, S. Bremmer, T. Feagin 93. Connecting the general chemistry laboratory to the real world: An environmental study of acid-mine drainage. M. S. Crowell, S. Swope 94. Freshmen chemistry: A contextual learning laboratory experience. S. Basu-Dutt 95. Chemistry laboratory courses: Are students and faculty being short changed? L. D. Pedersen 96. Pre- and post-assessment of general chemistry students. T. Kennon, W. A. Burns, M. Draganjac, K. Redeker, C. Dowling, S. Cron, B. Rougeau, M. Bryant 97. Alternative assessment methods in upper division chemistry courses: Benefits to students, faculty and the department. C. LeMaster, S. Ruettgers 98. Assessing student learning via laboratory practical exams. B. J. Stanton, L. Zhu 99. Effects of authentic assessment on student engagement levels in an undergraduate chemistry laboratory setting. C. J. Campo, V. L. Armella, K. R. Boyle, K. E. Fritzinger, N. E. Hall, A. M. Hens, J. L. Kreinsen, B. D. Montague, K. C. O’Connor 100. An experiment involving the nitration of salicylic acid and subsequent separations, reactions, and analysis. W. D. Korte 101. Impact of a spiral organic curriculum on student attrition and learning. N. P. Grove, J. W. Hershberger, S. L. Bretz 102. Introduction to 2-D NMR spectroscopy in the undergraduate organic chemistry laboratory. L. J. Anna 103. Midcourse corrections: Using mid-semester evaluations to make changes in teaching and learning organic chemistry. W. G. Hollis Jr. 104. Chemical profiling clandestine methamphetamine. S. B. Madireddy, J. O. Boles 105. Organic textbooks:What really matters? E. G. Ennis, A. J. Phelps 106. Recasting the usual distillation experiment in the first semester of organic chemistry laboratory into a guided-inquiry “separations” experiment. L. L. Garcia 107. Using advanced spectroscopic techniques to provide a fresh look at the DielsAlder reaction in undergraduate organic chemistry. T. A. Knoerzer, N. Heimer 108. Arrow-pushing in first semester organic chemistry. V. J. Geisler 109. Evaluation of the use of pictograms in teaching qualitative analysis laboratories. J. H. Meiser, J. W. Ribblett 110. Microfluidic capillary electrophoresis experiment for the undergraduate chemistry laboratory. S. Teerasong, K. J. Niemi, R. McClain 111. Stimuli-responsive phospholipid stabilized poly(ethoxyethyl methacrylate-co-nisopropylacrylamide) (PEEMA-coPNIPAm) colloidal dispersions and their films. S. S. Huskey, A. Rutland, L. G. Kolibal, M. W. Urban 112. Computational studies for the undergraduate laboratory: Identifying site susceptibility to hydroxyl radical attack on aromatic molecules. P. Flanders, M. E. Brandt, T. J. Strathmann, P. L. Miller

TECH–23

TECHNICAL PROGRAM

CHED 113. Preparing a primary standard solution: Understanding the interplay of experimental design, accuracy, and precision. A. A. Russell, L. M. Wesoloski 114. Exploring the effects of ligand substituents on the electron density of transition metal centers: Tuning a system in inorganic chemistry. J. T. York 115. Numerical approximation method for a seven-step radioactive decay sequence using Excel. B. E. Peyton, B. C. Carson 116. POGIL activities for advanced inorganic chemistry courses. J-U. Kuhn, J. D. Martin 117. Opening and sharing online college chemistry and inorganic chemistry resources. L. Hu, L. Qiang, D. Tang 118. Teaching physical chemistry conceptually. S. Pazicni, R. J. Sension, J. E. Penner-Hahn 119. Analysis of energy packed goo: An undergraduate physical chemistry experiment. M. McConico-Lewis, A. J. LaFramboise, J. L. Evans Jr. 120. From the science to the clinical: Integrating literature reviews and case studies. M. D. Kelley 121. JCE Data-driven exercises: A new addition to the JCE DLib. W. T. Grubbs 122. Development of hands-on nanotechnology learning modules. D. Moyses, B. D. Fahlman 123. Green chemistry and art: A biodiesel fueled outdoor raku kiln. R. Hartmann 124. How does an “arts and media” student learn biochemistry? B. Büdy 125. Hybrid class: The best of both worlds. N. D. Jesalva 126. Laboratory program in forensic chemistry for nonscience majors. B. P. Huddle 127. Science of the small: A new upperdivision undergraduate nanoscience course at James Madison University. K. L. Caran, B. A. Reisner, B. H. Augustine, S. L. Torcivia 128. Introduction to science research: An honors colloquium to develop proposal writing skills. S. C. Haefner, E. J. Brush 129. Synthesis and evaluation of derivatives of the antibiotic sulfanilamide: A collaborative experiment between the organic and biochemistry laboratories. C. E. Stilts, R. H. Fisher 130. Improving chemistry literacy for nonscience majors through food and cooking: Development and assessment of an introductory chemistry course. S. A. Wasileski, K. Peterson 131. Color to dye for: An interdisciplinary course a chemist can love. J. M. Buccigross 132. Integrating design projects in chemistry and physics into a science course for preservice elementary teachers. S. D. Wiediger, T. Foster 133. Nonmajor’s chemistry online and in person: A hybrid model that works. K. A. Lawler-Sagarin 134. The effects of pc-based laboratories on student learning. L. L. Pesterfield, S. Burris, D. B. Dahl, H. Palandoken, J. Pope-Tarrence 135. Use of a wiki to enhance group projects. K. M. Williams 136. Using geographic information systems (GIS) tools in chemical education: Chem map web site. S. M. Reed, B. R. Ayres, A. Kulkarni, N. Sanghvi, W. Garrick 137. Chemistry laboratories in a box: Thinking outside of the box. J. R. Jeitler, M. E. Jeitler, D. E. Arrington 138. Practice and effect of accomplishing different teaching levels and cultivating innovative talents for applied chemistry specialty undergraduates. L. Qiang, D. Tang, L. Hu 139. Strategies for the growing undergraduate research program at Bridgewater State College. S. A. Waratuke 140. Study and practice of reinforcement in the undergraduate practice-teaching segment of the applied chemistry specialty. D. Tang, L. Qiang, L. Hu

141. Tackling the problem of declining numbers of undergraduate chemistry majors: The role of student personality and behavioral characteristics. J. Rivet, B. D. Fahlman 142. Encouraging undergraduate research in programs predominantly at the associate degree level. T. Pagano 143. Double discovery at Columbia University: Educators and scientists sharing perspectives. K. E. Kristian, L. W. Fine, S. Brydges 144. Factors that affect students’ positive and negative perceptions of chemistry. N. M. Grove, M. B. Nakhleh 145. Motivation and self-efficacy of high school chemistry students. S. A. Cunningham, M. Dianovsky, D. J. Wink, K. Gomez 146. Undergraduate students’ beliefs about matter. J. K. Weller, M. B. Nakhleh 147. Analogies, anthropomorphisms and chemistry. J. R. Jeitler 148. Bridging the bilingual gap: Using chemistry to enhance science education in the bilingual classroom. M. G. Hilfiger, C. Piedra, C. Avendano, C. Everett, K. R. Dunbar, E. Simanek 149. From the molecular to macroscale with no black box. J. Elliott, C. T. Lira 150. Cognitive load theory: A comparison of conceptual and algorithmic problems. S. M. Underwood 151. Particulate nature of matter, self-efficacy, and pedagogical content knowledge: Case studies in inquiry. K. Nafziger, S. L. Bretz

MONDAY MORNING Section A Hilton New Orleans Riverside Rosedown Research and Education in Material Science Center Inspired Education

P. C. Ray, C. Hawker, and M. W. Urban, Organizers A. A. Odukale, Presiding 8:30 Introductory Remarks. 8:35 152. MRSEC and PREM programs in 2008. M. M. Kukla 8:55 153. Engaging students and the public through materials science and engineering research. K. Hollar, H. A. Stone, R. L. Graham Jr., D. A. Weitz, C. M. Friend 9:15 154. Partnerships to broaden participation at the UC Santa Barbara Materials Research Laboratory. D. K. Pak, C. J. Hawker 9:35 Intermission. 9:45 155. Bringing materials science to New York City high schools. I. P. Herman 10:05 156. Educational outreach activities at the Northwestern University Materials Research Science & Engineering Center. M. Olvera de la Cruz 10:25 157. Multilevel research in an interdisciplinary center. F. W. Snowden, T. P. Lodge 10:45 Intermission. 10:55 158. Growth and characterization of interfaces: Mechanisms for student participation. J. C. Tully, C. Ahn, E. I. Altman, C. Broadbridge, V. E. Henrich, M-R. Padmore, Y. Segal, F. Walker 11:15 159. Materials education: Teaching the teachers. T. P. Russell 11:35 160. Integration of research and education with industrial and shared facilities outreach. S. E. Morgan, S. Bayley, M. W. Urban

Section B Hilton New Orleans Riverside Melrose ACS Award for Achievement in Research for the Teaching and Learning of Chemistry: Symposium in Honor of Dorothy L. Gabel Cosponsored by WCC

S. L. Bretz, Organizer, Presiding ‡ Cooperative Cosponsorship

24–TECH

8:30 161. Chemistry education research. S. L. Bretz

8:35 162. Investigating children’s ideas about chemicals. M. O’Donnell, S. L. Bretz 8:55 163. Particles and kids: How does understanding develop? M. B. Nakhleh, A. Samarapungavan, Y. Saglam, J. K. Weller 9:15 164. Effect of gender on achievement when particulate level explanations are used in high school chemistry. D. M. Bunce 9:35 165. The particulate nature of matter: The quest for student understanding. V. M. Williamson 9:55 Intermission. 10:05 166. What do you mean it was a good class? SourceView’s role in modeling chemistry teaching. A. J. Phelps 10:25 167. Target inquiry: Transforming high school teacher professional development through research. E. J. Yezierski, D. G. Herrington 10:45 168. ChemCom, particulate representations, and chemistry education in an urban classroom. D. J. Wink 11:05 Introduction of Dr. Gabel by S.L. Bretz. 11:10 169. Award Address (ACS Award for Achievement in Research for the Teaching and Learning of Chemistry, sponsored by Pearson Education). Chemistry for K-8 prospective teachers. D. L. Gabel

Section C Hilton New Orleans Riverside Magnolia POGIL: Process Oriented Guided Inquiry Learning Getting Started With POGIL

R. S. Moog, Organizer R. E. Riter, Presiding 8:30 Introductory Remarks. 8:35 170. Using rubrics to write and assess POGIL activities. C. F. Bauer, R. Cole, K. Anderson 8:55 171. Varieties of the POGIL experience. B. D. Gilbert 9:15 172. Easy migration to POGIL: Parttime approach to implement guided-inquiry method in physical chemistry to reinforce students’ learning. N. Matsuno 9:35 Intermission. 9:45 173. Getting started with POGIL: Lessons from a biochemistry course. T. A. Murray 10:05 174. Incorporation of POGIL lesson plans into freshman chemistry at Louisiana Tech. U. Siriwardane 10:25 175. Hybrid POGIL-lecture general chemistry: An entry point for the timedeprived or faint of heart. R. S. Lumpkin 10:45 Intermission. 10:55 176. Learning topics on solutions, chemical equilibrium and pH through the POGIL methodology. A. Jubert, C. Pogliani, M. Midhi, A. Vallejo 11:15 Panel Discussion.

Section D Hilton New Orleans Riverside Jasperwood Chemistry in Informal Learning Environments

R. M. Theall, Organizer, Presiding 8:30 Introductory Remarks. 8:35 177. A historical look at informal chemical education in science museums. A. N. French, J. A. Heppert 8:55 178. “The Amazing Chemical Circus”: Theater + chemical demonstrations = effective outreach event. H. W. Kerby 9:15 179. Box of mysteries show: Using street theater as a tool for chemical education outreach. C. Babiarz, H. W. Kerby, M. Weiland, J. Cantor 9:35 Intermission. 9:45 180. Communicating chemistry. D. A. Katz 10:05 181. SOS (Science on Saturdays) educational program: Using hands-on experiments to expose K–8 students to the world of chemistry. P. Leggett-Robinson, A. E. Russell, N. Powell, B. G. Rackley, G. Pritchett

10:25 182. Bringing forensic chemistry to the public through volunteer education programs. D. LaVictoire, J. W. McGill, R. A. Morgan Theall 10:45 Intermission. 10:55 183. Where is Science in the City? R. A. Morgan Theall 11:15 Discussion.

Section E Hilton New Orleans Riverside Oak Alley Using Social Networking Tools to Teach Chemistry Cosponsored by CINF

H. E. Pence, Organizer L. E. Pence, Organizer, Presiding 8:30 Introductory Remarks. 8:35 184. Development of chemical forums, blogs, wikis, RSS feeds, crowdsourcing, and social bookmarking websites for chemistry. M. A. Garcia, M. N. Ali, N. N. Chang, H. Nitsche 8:55 185. Using Facebook as an online scientific community where students can interact with each other and discuss chemical concepts covered in the laboratory. J. D. Schroeder, T. J. Greenbowe, G. McKiernan 9:15 186. Being there: Using social networking services for engaged library instruction. G. McKiernan 9:35 Intermission. 9:45 187. Off the beaten path: del.icio.us and social tagging in the classroom. L. E. Pence 10:05 188. Social networking: The challenges of audience participation. J. Wilde 10:25 189. Social networking and virtual worlds at the Nature Publishing Group. J. Scott 10:45 Intermission. 10:55 190. Project Prospect from the RSC: The evolving journal article and chemical education. R. Kidd 11:15 191. Bridging the divide: The integration of scientific data and journal literature. B. Losoff 11:35 192. Open access: Toward the mainstream? B. A. Vickery, G. G. D’Oca

Section F Morial Convention Center Hall A Undergraduate Research Poster Session: Analytical Chemistry Cosponsored by SOCED and ANYL

N. Bakowski and E. Cook, Organizers 11:00–1:00 193. Modified reactive distillation for producing biodiesel. L. J. Voss, D. J. LeCaptain 194. Analysis of red dye in unburned and combusted diesel fuel. J. L. Virginia 195. Withdrawn. 196. Detection of important secondary amines using nitroferricyanide. B. Newhouse, E. P. Hoy, E. C. Lisic 197. Adsorption of fatty acids using soy hull and rice hull. V. Brooks, U. Kalapathy 198. Thermogravimetric and differential thermal analyses of various materials. D. J. Gotz, C. M. Binz 199. Tungsten coil atomic emission spectrometry with a fiber optic spectrometer. A. M. Gray, C. P. Calloway 200. Comparison of mercury levels in fresh tuna and canned tuna. A. E. Rollins, G. Seebach 201. Determination of arsenic species in grape-based beverages. L. M. Chirino, T. Xu, K. O’Shea


CHED 202. Measurement of dissolved metals in Brewer Lake, Arkansas. M. P. Murray, M. W. Teague 203. Analyzing for lead in low-cost toys. E. Secrest, J. E. Bradshaw 204. Quantifying inorganic contaminants in the municipal drinking water using ICPMS. U. Obianagu, A. D. Oyewole, F. Conley, R. L. Thomas, B. L. Wilson 205. Comparison of separation/preconcentration methods for toxic metal ion speciation with ICP-OES detection. B. Klinger, D. Y. Mei-Ratliff 206. GC x GC simulator calibration. A. N. Smith, A. M. Gressick, P. D. Schettler 207. Reduction of substituted nitrobenzenes by anaerobic solutions of humic acid. P. D. Ford, M. W. Teague 208. Determination of the origin of Central Texas chardonnay white wines with gas chromatography-mass spectroscopy. E. Salinas, H. Altmiller 209. Trilauroylglycerol as a model system to study transesterification kinetics using high-temperature gas chromatography. C. P. Schrader, R. Hartmann 210. GS-MS quantitation analysis of an eight component mixture. F. N. Wydra, L. Macri, D. E. Mencer 211. Development of GC-MS and chemometric methods for the analysis of accelerants in arson cases. B. M. Prentice, M. C. Rhoten, S. E. G. Porter 212. GC-MS analysis of the flavor and aroma components of pumpkin pie spice. A. Butler, G. Shovlin, K. Willis, J. Wagner, F. Wydra, D. E. Mencer 213. Curry and component analysis. K. L. Green, B. Beaver, L. Macri, S. Payne, E. Serembus, J. Thomas, D. E. Mencer 214. Developing a method for detecting caffeine, nicotine, and marijuana in human hair using GC/MS. J. E. Dexheimer, G. R. Dubay 215. Analysis of votatile chemical compounds in medicinal plants used in the treatment of hypertension. A. M. Cavazos, A. R. Chaudhuri, E. E. Gonzalez 216. Analysis of arson accelerants using gc-ms. E. Clark, H. Altmiller 217. Determination of pesticides and semivolatile organo-compounds in river waters and tributaries surrounding the San Antonio, Texas metropolitan area. D. Carrillo, P. Gonzalez, A. R. Chaudhuri, E. E. Gonzalez 218. Determination of caffeine in environmental wastewater processed at Dos Rios water treatment plant in Bexar County, Texas. A. Garcia, P. Gonzalez, A. R. Chaudhuri, E. E. Gonzalez 219. Development of a method for analysis of organo-arsenic compounds in air. K. E. Vessels, B. M. Hopkins 220. Analysis of organics in soils. M. E. Shannon, S. J. Wetzel 221. Use of double isotopic dilution in the analysis of drugs in postmortem tissues. O. Qasba, J. S. Wilkes, J. A. Levisky, W. Jenkins 222. Forensic analysis of unknown substances: A sequence of laboratory experiments for quantitative and instrumental analysis undergraduate courses. A. Crook, C. Brennan 223. Comparison of SPME fibers in the detection of VOCs resulting from the decomposition of organs from a domestic hog. A. B. Bailey, P. C. Norris, M. S. Sabo, B. A. Eckenrode 224. Pressurized liquid extraction for pyrethroid insecticides from sediment. J. A. Cardarella, J. You 225. Detection of volatile and semivolatile target odor compounds associated with drugs, explosives, and residual solvents in pharmaceuticals by ion mobility spectrometer. Y. Delgado, M. Joshi, H. Lai, P. Guerra, J. R. Almirall 226. Forensic application of gas chromatography/mass spectrometry in hair analysis: Extraction and identification of Diazepam and Lorazepam. J. A. James, G. P. Foy 227. Caffeine determination in beverages labeled as energy drinks. J. Taylor, J. T. Long, J. J. O’Donnell 228. Identification of characteristic scent compounds in lemurs via gcms. W. W. Kesler III, G. R. Dubay

229. Development of an explosive residue identification procedure for quantitative or instrumental analysis courses. I. S. Campbell, C. Brennan 230. Determination of the concentration of genistein in various parts of psoralea esculenta (prairie turnip). D. Stoos, P. L. Weber 231. Accumulation of tricyclic antidepressants and selective serotonin reuptake inhibitors in the hair of mice. L. K. Cambal, C. Fish 232. Determination of acrylamide in fast food items. S. Tewani, N. Grewal 233. Polyphenol antioxidants in commercial green and black teas. M. A. Strunk, P. E. Donnelly, H. Tan, G. Agbor, J. A. Vinson 234. Determination of 2-mercaptobenzothiazole in rubber gloves and elastic wraps. R. H. Vomsaal, M. P. Woodburn, C. Párkányi, Z. Zajickova 235. HPLC determination of progesterone from water sources in the Decatur, Illinois area. K. W. Kunz, E. R. Acheson 236. Quantitative identification of hop (Humulus luplus) alpha- and beta-acids and their degradation at different temperatures in an N2 atmosphere vs. an air exposed atmosphere via HPLC. E. Sellitto, B. S. Burnham 237. HPLC analysis of the percent composition of alpha acid homologues in commercial hops. Z. D. Zuschlag, P. A. Brletic 238. Evaluation of reversed-phase HPLC columns packed with sub-3μm particles. L. Santiago-Capeles, R. W. Brice, L. A. Colón 239. Investigations into the conversion of cellulose to simple sugars for ethanol production. L. A. Williams, G. M. Giampa, G. P. Foy 240. Effect of negative ion-interaction reagent and pH on the HPLC separation of preservatives. D. Schwartzenburg, R. Nguyen, J. A. Palasota 241. Monitoring ink degradation for forensic investigations by HPLC. J. L. Hornock, K. A. Kneas 242. Validation of a high pressure liquid chromatography assay for the quantization of the DB-67 camptothecin analog in human whole blood. B. A. Roach, E. Csuhai 243. Investigating properties of porous stationary phase particles in reversed-phase liquid chromatography. M. Evans, C. R. Simmons 244. Chromatographic characterization of a carbon-clad zirconia stationary phase for HPLC. J. D. Kromer, P. W. Carr, D. R. Stoll 245. Separation of racemic tryptophan using hollow-fiber membranes. A. Stender, D. M. Besemann 246. Synthesis of and investigation of enantioselective properties of covalently linked vancomycin dimer. M. Oglesbee, K. Parsons, E. Redman, B. A. Baker, T. J. Ward 247. Decontamination of 2-chloroethylphenyl sulfide, chemical warfare agent simulant, with tetramethylammonium hydroxide in 1,2-dimethyl-3-propylimidazolium bistrifluoromethylsulfonyl amide (DMPI Tf2N) ionic liquid. M. F. Ditson, P. J. Castle, J. S. Wilkes, J. A. Levisky, D. M. Bird, A. Hermosillo, R. Hutchinson, C. Wamsley 248. Validation of an LCMS method for fatty acid quantification. K. E. Murphy, N. E. Breen 249. Comprehensive speciation analysis of selenium in garlic through liquid chromatography-particle beam/electron impact mass spectrometry. G. Ojeda Torres, J. Castro, B. M. Krishna, R. K. Marcus 250. Measurement of dissolved ions in Brewer Lake, Arkansas. S. E. Williams, M. W. Teague


251. Withdrawn. 252. Enantioseparation of profen drugs by capillary electrophoresis: Using vancomycin and cyclodextrin as chiral selectors. R. A. Hunter, K. H. Bennett 253. Monitoring metabolism changes in Escherichia coli during amino acid starvation using CE-MS. G. A. Hightower, M. Traxler, T. Conway, J. T. Smith 254. Determination of L-fucose concentration in intestinal mucus of CD-1 mice. D. A. Crawford, G. A. Hightower, A. Fabich, T. Conway, P. Cohen, J. T. Smith 255. Consecutive reaction monitoring desorption electrospray ionization mass spectrometry for rapid authentication of potentially counterfeit Tamiflu capsules. K. Johnson, L. Nyadong, M. Green, F. M. Fernandez 256. Kojic acid metal complexation characterized via ESI ion-trap mass spectrometry. S. M. Reilly, A. Stenson 257. Plasma oxidation and accelerator mass spectrometry of charcoal and inorganic Australian rock paintings. J. L. Mackey, J. D. Loewen, K. L. Steelman, J. McDonald, P. Veth, T. P. Guilderson 258. Optimizing layer thickness in porous silicon vapor sensors. D. D. Swanson, Y. Lu, K. L. Campbell, C. Lee, R. H. Terrill 259. Functionalized polylactic acid micro- and nanoparticles for targeted drug delivery. J. K. N. Mbindyo, S. W. Peurifoy 260. Solvent-free Biginelli reaction on silicasupported TLC plates. V. Nguyen, J. Stoddard 261. Curve-fitting and deconvolution methods applied to spectroscopic measurements in simple two-state chemical systems: Acidbase indicators. C. dela Cruz, H-E. Mendoza Solano, D. R. Brown 262. Tryptic peptide tagging for visualization using trypsin. T. Tucker, R. Holloway 263. Exploration of anthraquinones in the aloe plant. K. E. Louden, A. Moore 264. Binding studies of organic dyes to DNA aptamers and B and Z-DNA. M. Guericke, A. E. Holmes, K. Wilcox, C. L. Gustafson 265. Development of molecular colorimetric sensors for Flunitrazepam and other narcotics and the use of circular dichroism to determine absolute configuration of methamphetamine. K. Wilcox, A. E. Holmes 266. Studies of chicken antigen/antibody interactions with gold and silver nanoparticles. J. N. Proctor, R. M. Bright, C. S. Seney 267. Chemiluminescence analysis of bromide in saline wetland samples. S. D. Barraza, D. Carter 268. An analysis of the ability of luminol. M. Jennewine, S. J. Gravelle 269. Chromatographic separation of the components and spectroscopic characterization of the dyes present in commercial lightsticks. A. E. Comfort, T. S. Kuntzleman, B. W. Baldwin 270. Preparation and spectroscopic characterization of silica aerogels doped with metal porphyrin complexes. S. Baig, C. W. Wattley, A. M. Anderson, M. K. Carroll 271. Luminescent nanobeads for optical sensing and imaging of pH. S. M. Borisov, D. L. Slomberg, I. Klimant 272. Measurement of temperature and pH using an environment-sensitive luminophore in a gold-cored “smart” gel. C. A. Strulson, K. A. Kneas 273. Quantum dots as internal reference for luminescence-based sensors. S. V. Wallen, C. A. Strulson, L. M. Krieger, K. A. Kneas 274. Interactions of cyclopeptides containing Cys2/His2 or Met2/His2 residues and Hg2+, Pb2+, and Cd2+. K. Askew, M. Ngu-Schwemlein 275. Is it time to change the oil yet? Monitoring engine wear. G. E. Macek, D. E. Lewis 276. Studies of fluorescence quenching mechanisms. G. Kennedy, T. Pagano 277. Fluorescent 4-acylpyrazolone ligands for metal ion detection. L. J. Fisher, J. C. Easdon, K. E. Garrison

278. Rubrene crystallization in 3-D focusing microfluidic devices. C. A. Croushore, V. Genot 279. Trace sulfur determination in biomass resources using ED-XRF. J. M. Robinson, K. Nhoy, J. Phillips 280. Analysis of a series of medieval Korean coins via energy dispersive X-ray fluorescence spectroscopy. H. Attar, J. Shango, M. A. Benvenuto 281. Biomolecular sensing using Brewster’s angle straddle reflective interferometry. B. W. Martin, L. J. Rothberg 282. Detection of lead in environmental water samples using an organoclay attenuated total reflectance sensor. A. L. Drake, I. Lagadic, J. N. Richardson 283. Noninvasive characterization of maturity status to optimize caviar yield and quality in white sturgeon. S. A. Servid, A. L. Bowers, L. R. Twombly, A. G. Cavinato 284. Rapid screening method for nonlethal detection of bacterial kidney disease in Pacific salmon. K. Troutman, T. L. Boethin, M. M. Hammers, L. R. Twombly, S. A. Servid, A. G. Cavinato 285. Investigation of a modified fenton reaction of chromium with tartrates. H. J. Burchett, E. Csuhai, G. Seebach 286. Reaction of copper(II) with tartaric acid and peroxide. E. B. Gay, E. Csuhai, G. Seebach 287. Analysis and characterization of flavoring compounds in bourbon. C. J. Boyd III, A. L. Keskey, G. Seebach 288. Quantitative determination of the ethanol content of alcoholic beverages using proton NMR. J. Wagner, D. E. Mencer, K. L. Green, L. Macri, B. Beaver, F. Wydra, A. Butler 289. Investigation of spin lattice relaxation (T1) of n-propyl benzoate in various solvents. E. Serembus, F. Wydra, K. Willis, S. Payne, D. E. Mencer 290. Using NMR spectroscopy to study temperature dependent hydrogen bonding in N-methylformamide. K. M. Lee, J. A. Goodnough 291. DMSO as an internal standard for the analysis of solvent mixtures by qNMR. P. T. Bell, A. D. Adkins, O. Hicks, L. D. Schultz 292. Determination of sodium concentration by Na-23 NMR using an Anasazi conversion of a Varian A-60 NMR. T. M. Smith, N. V. Duffy 293. Effects of redox magnetohydrodynamics on anodic stripping voltammetry of arsenic. A. C. Ring, I. Fritsch 294. Comparison of pH values for four different buffer solutions of TAPSO at 25 and 37°C. D. A. Kaufmann, C. N. Roy, N. W. Grove, L. N. Roy, R. N. Roy 295. pH Values of the zwitterionic buffer AMPSO from 5 to 55°C. J. L. Durden, T. Ghosh, H. Dang, B. M. Bodendorfer, L. N. Roy, R. N. Roy 296. Second stage dissociation (pK2) for the biological buffer CAPSO from 5 to 55°C. C. H. Grove, S. R. LeNoue, B. T. Morris, H. M. Hughes, L. N. Roy, R. N. Roy 297. Dissociation constant (pK2) and pH values of the buffer DIPSO from 5 to 55°C. J. T. Wollen, A. Bwashi, S. J. DeArmon, H. M. Long, L. N. Roy, R. N. Roy 298. Spectroelectrochemical sensor: The effect of ionic strength on sensor response. C. R. Bowman, S. E. Andria, L. K. Morris, C. J. Seliskar, W. R. Heineman 299. Comparing hexavalent chromium and trivalent chromium in color deposit and plating quality. L. A. Maher, G. P. Foy 300. Comparative study of methods for enzyme immobilization based on glucose oxidase response with a rotating amperometric biosensor. A. Peverly, N. J. Ronkainen-Matsuno 301. Voltammetry of propazine. M. J. Bruzek, J. H. Brown

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TECHNICAL PROGRAM

CHED Section G Morial Convention Center Hall A Undergraduate Research Poster Session: Nanotechnology Cosponsored by SOCED

N. Bakowski, Organizer 11:00–1:00 302. Bioeffects of carbon nanotubes. E. Obot, R. L. Thomas, P. Ramesh, P. Ravichandran, G. Ramesh 303. Biosynthesis of silver nanoparticles using Capsicum annum L. J. Fuselier, M. Allen, N. Phambu, A. Sunda Meya 304. Characterization of phosphonate terminated polyethylene glycol on Si (111) wafers. R. K. Bogdon, J. S. Burgess, D. M. Stallings 305. Characterizing protein and folate coated nanoparticles and analyzing their toxic effects on cancerous and normal keratinocytes. B. M. Herzberg, R. Ramjeawan, Y. Sun, A. I. Frenkel, M. Rafailovich 306. Cobalt oxide nanoparticles synthesized from metal carboxylates. B. S. Henderson, C. Hofmann, K. H. Whitmire 307. Comparing various methods of synthesis and analysis of gold nanoparticles. F. Dukesz, A. I. Frenkel, M. R. Bromberg, Q. Wang, N. Asherie, S. Blass, M. H. Rafailovich, Y. Sun, J. Kang 308. Continued synthesis of surface-modified PAMAM dendrimers for use as a drug delivery system. C. D. Girten, J. R. Helton, H. A. Bullen, K. A. Walters 309. Controlled deposition of silver nanoparticles on cellulosic nanofibers. N. L. Birbach, H. Dong, J. P. Hinestroza 310. Controlling surface functional groups on monolayer protected porous silicon. J. L. Siegel, L. A. Porter Jr. 311. Cytotoxicity assessments of thoroughly characterized single-walled carbon nanotube (SWNT) materials. D. A. Victor, M. T. Arraya, R. N. Azad, E. K. Walker, M. N. Wallack, R. Wang, P. Pantano 312. Degradation studies of alkyl-functionalized porous silicon in organic solvents. N. J. Line, L. A. Porter Jr. 313. Detection of DNA in impure solutions using gold nanoparticles. A. M. Dunn, A. Rammelsberg 314. Dispersion, templating, and imprinting of carbon nanostructures. D. R. Davis, D. S. V. Olesik 315. Efficiency of magnetic filtration of nanoscale magnetic particles used for remediation of arsenic contaminated groundwater. G. R. Medders, A. R. Isley, P. Hari, G. H. Purser 316. Emphasizing the importance of undergraduate research. J. Hartshorne, G. W. Britton, Y. Z. Snyder, P. Y. Furlan 317. Expression of protein based poly(GVGVP) for nanoscale transducers. J. A. Hayes, N. B. Holland 318. Functionalized porous silicon oxidation in simulated gastric and intestinal fluids. J. T. Lee, N. Molby, L. A. Porter Jr. 319. Induced viscoelastic in poly(etherimide) solutions and its effect in the production of nanofibers. J. D. Uribe, K. C. Mills, J. P. Hinestroza 320. Inverse gas chromatography characterization of acidic funtionalized nanotubes. C. B. Seevers, L. Cortez, J. R. Hardee, J. Deville 321. Investigation of the graphitization process during the formation of carbon nanotubes. B. D. Fahlman, L. E. Slusher 322. Kinetics of the remediation of arsenic contaminated groundwater using nanoscale magnetite particles. A. R. Isley, G. R. Medders, P. Hari, G. H. Purser 323. Loading and release characteristics of halloysite. J. C. Wuellner, M. H. Rakowsky, B. W. Hicks, G. R. Johnson 324. Manufacture and characterization of a layered carbon fiber material covered with carbon nanotubes. W. J. Ready, G. P. Sanborn, K. Keppel, K. Gruenberg


26–TECH

325. Mechanistic considerations in the lowtemperature growth of carbon nanofibers. L. A. Nezeritis, B. D. Fahlman 326. Mid-infrared characterization of volume holographic gratings and nanofabrication of optical structures. M. Alingog, H-E. Mendoza Solano, D. R. Brown, G. J. Steckman, C. Moser 327. Nanostructuring porous evanescent wave biosensors. P-E. J. Duhamel, C. S. Bonifacio, L. Chang, M. McNeil, T. P. Magbitang, J. E. Frommer, V. Y. Lee, O-H. Park, C. M. Jefferson, W. P. Risk, H-C. Kim, J. Sly, R. D. Miller 328. Photocatalytic degradation of ammonia over platinized titania. L. A. Pretzer, P. J. Carlson, J. E. Boyd 329. Preparation of functionalized nanotubes for inverse gas chromatographic analysis. L. K. Cortez, C. B. R. Seevers, J. R. Hardee, J. P. Deville 330. Preparation of well-ordered poly(methyl methacrylate) photonic crystals on liquid substrates. J. S. Wignall, C. J. Campo 331. Reacting soluble single-walled carbon nanotubes with singlet oxygen. M. A. Hamon, K. L. Stensaas, M. A. Sugar, K. C. Tumminello, A. K. Allred 332. Reaction of NO2 with purified singlewalled carbon nanotubes. P. Ting, H. M. Bevsek 333. RuO2/PEDOT composite nanotubes: A new material for energy storage. T. K. Lane, R. Liu, S. B. Lee 334. Self assembly of nanoscopic structures in 2-D using diblock copolymers: Effect of blending with a dye. T. Neiman, S. M. Baker 335. Size-dependent protein binding in bioconjugates. R. A. Hickerson, J. A. Jamison 336. Withdrawn. 337. Solution phase encapsulation of fullerene[C60] in carbon nanotubes: Formation of fullerene peapods. E. A. Akam, G. P. Miller 338. Strength enhancement through carbon nanotube functionalization using a pendant norbornene. A. L. Shipman, M. R. Kessler, J. C. DiCesare 339. Structural investigation of the effects of pH on an acid terminated self-assembled monolayer on a Au(111) surface using scanning tunneling microscopy. K. M. Yoshinaga, K. E. Johnson 340. Surface modification using thin films of gold nanoparticles. A. J. Bear, N. T. Flynn 341. Synthesis and characterization of copper nanowire arrays. R. L. Butt, L. Rickard, Y. Habib 342. Synthesis and characterization of silica microspheres. J. Brantley, L. L. Pesterfield 343. Synthesis and photophysical properties of luminescent lanthanide containing semiconductor nanoparticles. S. H. Johnson, A. Yingling, S. Petoud 344. Synthesis and reactions of HFe4(μ4-␩2CH)(CO)12. C. Lam, A. Kelly, K. H. Whitmire 345. Synthesis of PAMAM dendrimers to be functionalized as drug delivery agents: Comparing product quality to commercially available sources. K. Byrd, S. Macon, D. Matthews, S. C. DiMaggio 346. Toward the electrochemically-triggered assembly of gold nanoparticles in aqueous solution. G. N. Gantos, S. Kim, N. T. Flynn 347. Functionalization of nanowire arrays for the development of a biosensor. C. M. Flynn, N. Dower, T. Rhoads, M. J. Cosentino, Y. Habib, L. Rickard

Section H Morial Convention Center Hall A Undergraduate Research Poster Session: Chemical Education Cosponsored by SOCED

N. Bakowski, Organizer 11:00–1:00 348. Showing the advancement of science through the progression of battery technology. N. Bjorge, J. Brewer, P. Reichert, G. Russell, N. Wang, T. G. Richmond

349. Interactive techniques employed to promote the advancement and participation in chemistry with emphasis on adolescents. G. K. Ghahramani, M. E. Shirley, R. S. Black, P. R. Hanson 350. Laser-pointer spectrometry revisited: Application of light sensor and data acquisition device. S. V. Wallen, K. A. Kneas 351. Measurement of glucosamine in dietary supplements by HPLC. J. L. Hornock, K. A. Kneas 352. Measuring ecotoxicity: Green chemistry experiment for the undergraduate laboratory curriculum. S. Y. Kwon, I. J. Levy, M. R. Levy, D. V. Sargent, M. A. Weaver 353. MENTOS姞 morphology: A study of surface structure using AFM. M. D. Korb, T. L. Fisher 354. Microwave-assisted click chemistry. T. J. Auvil, B. K. Southerland, D. M. Ketcha 355. Modern designs of flash games raise interest in chemical education. C. M. Hill, M. G. Bakker 356. Multinuclear nmr of some fluorine containing compounds. M. M. Nunes, T. B. Malloy Jr. 357. New approach to the lab manual for the General, Organic, and Biochemistry for the Health Sciences course at Ball State University. S. Idlewine, A. Rector, C. Suskovich, J. W. Ribblett 358. NMR determination of the kinetics of deuterium exchange in acyclic hexanones. A. Knutson, T. B. Malloy Jr. 359. Not so simple: Students’ and teachers’ conceptions of chemical and physical changes. G. T. Rushton, T. Bowen 360. Online guidelines as a tool to improve learning of general chemistry concepts. M. A. Fuentes, K. M. Matos, S. Negretti, C. M. Torres 361. Online book on Basic GC-MS. J. Ginsbach, F. M. Dunnivant 362. Outreach initiatives to improve the enrollment of underrepresented students in the field of science. K. Edenzon, A. Ross, T. Pagano 363. Raman and 31P nmr characterization of the pH dependence of aqueous phosphates: An undergraduate experiment. J. Jabbour, D. Dolino, S. Simmons, M. A. Steiger, T. B. Malloy Jr. 364. Real world organic chemistry. R. LaTerra, L. Farber 365. Rotationally resolved fluorescence spectroscopy of molecular iodine: Using inexpensive DPSS lasers to enhance a familiar p-chem lab experiment. C. M. Lemon, S. G. Canagaratna, J. A. Gray 366. Solar photovoltaic cells: An interdisciplinary experiment for high school students. H. Hershberger, M. G. Olds, J. W. Ribblett, M. A. Rose 367. Substituting vitamin C for thiosulfate: Greening a kinetics lab. A. M. Alexander, R. E. Belford 368. Synthesis and colloidal study of cationic gemini surfactants: A series of experiments to introduce nanoscience into introductory, organic, physical and upperlevel chemistry laboratories. S. L. Torcivia, K. L. Caran 369. Target inquiry: Impacts of a research experience for teachers. R. Wissner, D. G. Herrington, E. J. Yezierski 370. Testing a CASPiE module for students at Ball State University: Band gap tuning of zinc oxide films for solar energy conversion. A. R. Campbell, J. Hui, S. Savoy, R. Short, N. Evans, T. Macarthy, J. Dunham, J. W. Ribblett 371. Testing a CASPiE module for students at Ball State University: Biodiesel. R. Short, N. Evans, T. Macarthy, J. Hui, S. Savoy, A. R. Campbell, J. Dunham, J. W. Ribblett 372. Undergraduate peer teaching assistants in chemistry and biology labs. C. Jeannot, R. Alexandre, J. Murillo, D. Dickson, L. Revoredo, K. Sebekos, M. Exposito, M. Delgado 373. Use of high performance liquid chromatography (HPLC) to analyze lycopene isomers in tomato, an undergraduate experiment. A. L. Miller, P. P. Vaughan, T. M. Sirvent 374. Using dynamic simulations to improve learning of general chemistry concepts of stoichiometry. L. Rodríguez, A. Santana, C. M. Torres

375. Using the California Chemistry Diagnostic Exam (CCDT) as a predictor for success in general chemistry courses. G. T. Rushton, W. Maples 376. Wiki hyperglossary and links index server-side scripting. S. Z. Sullivan, R. E. Belford 377. “Greening” the separation of anthocyanins from coleus plants: TLC and Kadetermination. L. Revoredo, D. Dickson, M. Exposito, A. Tomonto, A. Evans, M. Gregory, C. Oliveros, D. Ruizcalderon, K. Roque 378. Green synthesis of (-)-ethyl L-lactate and pyruvic acid from post-consumer polylactic acid waste. M. A. McFarland, J. E. Haffner, J. N. Boice, L. E. Morrell, M. S. Gidwani, K. T. Souza, C. Cacoq, N. E. Lee, R. W. Gurney 379. Microscale laboratory procedure for undergraduate organic chemistry students when learning about chirality and stereochemistry. C. L. Gustafson, A. E. Holmes 380. Acetic acid adsorption on powdered tire rubber. A. Torres-Fontan, L. Granda-Marulanda, N. Granda-Paz, S. P. Hernandez 381. Adapting a CASPiE module for Ball State University: Phytochemical antioxidants with potential health benefits in foods. S. Savoy, T. Macarthy, N. Evans, A. R. Campbell, J. Hui, R. Short, J. Dunham, J. W. Ribblett 382. Adapting the three man game scenario as a collaborative learning strategy in chemistry. E. M. Deemer, J. E. Hernandez, G. Heredia, C. Gonzalez, J. E. Becvar 383. Evaluation of study habits for freshman chemistry students using the James’ internal-external locus of control scale. K. E. Carter, B. D. Fahlman 384. Analysis of oxidative damage in calf thymus DNA solubilized in 3-methyl-1butylimidazolium chloride. M. S. Johnson, N. F. Campbell 385. Appreciate and bring chemistry alive. M. Park, C. Cole, C. Lemons 386. Assessment of student learning after incorporating circular dichroism in the undergraduate chemistry curriculum. M. L. Anderson, A. E. Holmes 387. Big pH-in’ up in STL. J. Badhwar, A. Young, P. Thulasi, G. Lehn, B. M. Znosko 388. Biotechnology interdisciplinary students association. L. Lee, C. Brewer, S. Madain, R. Lai, J. K. Weir, K. A. Kantardjieff 389. Carbon nanotube catalysts for environmental applications. L. C. Martin, N. Bezares Saker 390. Chemistry outreach programs: Chemical education impact on teacher assistants. D. Acevedo-Acevedo, I. Padilla, S. Mercado, J. López-Garriga 391. Chemistry, education, and UCF: A multistep approach. C. E. Pellizzeri, K. Ferstadt, B. Wormsbacher, M. Gittings 392. Chiral chromatography utilizing postconsumer polylactic acid waste. S. Y. Tsui, J. E. Haffner, M. A. McFarland, J. N. Boice, L. E. Morrell, K. T. Souza, C. Cacoq, G. L. Petrozziello, N. E. Lee, R. W. Gurney 393. Creating a solutions manual for Home Laboratory For General Chemistry I and II. D. K. McGill, R. E. Miller 394. Determining absolute zero in the general chemistry lab. E. L. Brown, M. E. O’Reilly 395. Development of an undergraduate experiment in fluorescence lifetime quenching using an improved pulsed LED photon source. C. M. Zall, S. M. Drew, W. E. Hollingsworth 396. Energy transfer in DNA oligomers. Y. J. Gaudard, C. Chester, V. Vilchiz, S. E. Bradforth


CHED 397. Enthalpy of combustion of sucralose. A. Gilmore, N. Richards, M. Spaulding, J. Croffie, J. W. Ribblett 398. Expository programs: A model to improve teaching and learning of chemistry. S. Mercado-Feliciano, J. López-Garriga 399. Finding oneself in the research laboratory. J-P. G. Clark, B. Walls, G. Bhattacharyya 400. Four chemistry experiments for the home school setting. B. R. Myers, S. L. Lyons, M. Joseph 401. Fourier analysis of voices. M. Van den Bergh, D. R. Fry 402. Fresh pineapple gelatin: Development of a nonscience major’s experiment. L. M. Stronz, A. M. Camelio, C. C. Raymond 403. GC/MS analysis of the dehydration of 2-methylcyclohexanol. E. C. Klein, G. R. Dubay, H. L. Sebahar 404. Getting students to generate their own problems to solve. R. Roacho, J. E. Becvar 405. Green asymmetric synthesis, an upperlevel undergraduate, research based laboratory course. C. M. Wiggins, G. L. Petrozziello, Y. Y. Lin, C. M. King, D. S. Bass, J. N. Boice, J. E. Haffner, H. Huang, V. S. Liu, B. M. Oheim, S. Y. Tsui, A. A. Warsame, N. E. Lee, R. W. Gurney 406. Withdrawn. 407. Greener oxidation reactions using microwave radiation. A. C. Weiss, S. M. Ensel 408. Using an unknown reaction as the basis for a full-semester laboratory course. J. G. Morton, C. H. Londergan 409. Identification of diastereomeric interactions in zeolites: Application of solid state nuclear magnetic resonance. H. T. Huynh, S. Alcala, V. Martinez 410. Impact of a multidisciplinary sciences professional development program on teachers’ content enhancement and classroom practices. C. Shipp, H. Arredondo, E. E. Gonzalez, A. R. Chaudhuri 411. Withdrawn.

Section I Morial Convention Center Hall A Undergraduate Research Poster Session: Organic Chemistry Cosponsored by SOCED

N. Bakowski, Organizer 11:00–1:00 412. Cleavage of epoxides with functionalized alkynylaluminum reagents. K. F. Morales, D. M. Rivera, J. A. Prieto, G. Torres 413. Titanium aryl oxide catalyzed hydroamination reactions of enynes. T. D. Palluccio, S. A. Waratuke 414. Electron microscopy of the Ce(IV)/SiO2 solid-supported reagent. M. V. Stewart, K. J. Stanislav 415. Hantzsch synthesis of 1,4-dihydropyridines. K. Ivanova, K. Yamaguchi 416. Synthesis of a novel ionic liquid for HPLC studies and characterization of novel ionic liquids. D. L. Quach, G. Donald, A. B. Carle, A. M. Stalcup 417. Progress toward the synthesis of a 1-iodo-2-naphthol-based chiral hypervalent iodine reagent. R. Stowe, A. N. French 418. Progress toward the synthesis of azacalixarenes. D. R. VanGorder, J. L. Katz 419. Progress toward the asymmetric generation of the quaternary stereocenter in Lyngbyatoxin A. D. B. Ball, K. Voigtritter


420. Progress toward the synthesis of a gem-difluorinated perhydroisoquinoline skeleton. J. M. Jacobsen, S. Arimitsu, G. B. Hammond 421. Progress toward the synthesis of dragmacidin alkaloids. D. R. Miles, C. R. Whitlock 422. PTC preparation of 7,7dichlorobicyclo[4.1.0]heptane: Effect of added alcohols or carboxylates. W. P. Reeves, T. S. Adams 423. Purification of intermediates and byproducts in the synthesis of (2,6-dimethylphenyl)-triphenylmethane. K. C. Strohl, T. S. Repas, D. R. Powers 424. Pyridinium anthraquinones as co-catalysts in N-hydroxphthalimide catalyzed oxidations. C. M. Falk, A. S. Koch 425. Quantitation of fluorinated fungicides by fluorine-19 NMR. D. A. Underkoffler, H. Hunt, D. P. Predecki 426. Radical cyclization of ␤-keto allyl esters using manganese triacetate. R. D. Yu, J. Stoddard 427. Reaction of ferrocenylketene with 2,3dihydropyran. J. A. Wallace, J. M. Ferguson 428. Reaction of halogens and interhalogens with 1,1,2-trifluorobut-1-ene-4-ol. R. J. Weiss, R. N. Jones, D. F. Shellhamer 429. Reaction of halogens and interhalogens with 4-halo-1,1,2-trifluorobut-1-enes. R. N. Jones, R. J. Weiss, D. F. Shellhamer 430. Reactions of atomic carbon with alkynes. D. B. Herrick, D. M. Thamattoor 431. Reactions of sulfone-substituted ketenes. J. Hill, J. Wilson, L. Myers, N. Russo, J. Schesser, A. T. Beard 432. Reactive indicator for use in an enzymelinked immunosorbent assay. A. J. Johnson, J. T. Ippoliti 433. Reactive intermediates in Diels-Alder cycloadditions. K. Fofung, J. P. Deville 434. Recyclable nitration catalysts: An environmental and economical alternative to classic aromatic nitration. B. C. Tlach, D. J. Oostendorp, P-P. Ilich 435. Reduction of a ketone using chiral polylactic acid as solid support. V. S. Liu, J. N. Boice, R. W. Gurney, N. E. Lee 436. SAR study of the N-terminal histidine of GLP-1. K. Lipford, E. Chapman, D. R. Haines 437. Scent vs. structure: Vanillin and its derivatives. R. Mansfield, E. Csuhai 438. Scope and limitations of the Mukaiyama oxidative cyclization of bis-homoallylic alcohols. D. Porras, J. S. T. Gorman, B. L. Pagenkopf 439. Scope of the tandem chain extensionaldol reaction of ␤-keto imides. C. M. Sadlowski, C. K. Zercher 440. Selective monoalkylation of tetraethylene glycol. Y. C. Liu, K. Yake, R. W. Fitch 441. Selective synthesis of monosubstituted and disubstituted malononitrile derivatives. R. L. Miller, R. E. Sammelson 442. Solid phase synthesis and evaluation of novel amino acid based 3,2-hydroxypyridinone (HOPO) chelators for iron(III). A. S. Gopalan, H. A. Brown, R. Pandey, V. J. Huber, H. K. Jacobs 443. Solvent-free method for the oxidation of alcohols. B. N. Humphrey, D. Fulmer, J. Mack 444. Withdrawn. 445. Spde/gc-ms analysis of volatile organic compounds in maned wolf urine: Comparison of males and females in breeding and nonbreeding seasons. M. E. Rountree, C. J. Chen, L. J. Broederdorf, S. R. Jackson, T. E. Goodwin, N. Songsasen, W. K. Baker, J. P. Helsper 446. Stereocontrolled formation of a quaternary carbon using a rigid bicyclo-[3.3.0]octane. J. B. Moore, D. K. Dillner 447. Structure and dynamics relationships in coordinatively cross-linked polymer networks. B. M. Neilson, S. L. Jeon, D. M. Loveless, S. Craig 448. Studies in the development of an ibuprofen preparation suitable for use in introductory organic chemistry laboratory courses. L. R. Edenburn, R. A. Kjonaas 449. Studies toward the construction of spirocyclic amines. R. B. Ahmed-Schofield, T. Pham, C. Creighton

450. Study of the mechanism of formation of symmetric bis-dibenziodolium salts: Substituent effects. S. M. Paradine, S. Capehart, W. D. Andert, A. N. French 451. Study of the synthesis and chemistry of metallaanthracenes. O. R. Pickett, N. T. Allison 452. Substituent effects on electron exchange in phenoxide-bridged dimanganese complexes. S. E. Kelley, M. Soler, L. Cargill, D. Guo, J. K. McCusker, V. P. McCaffrey 453. Substituent effects on OH stretching bands in mono- and disubstituted phenols. D. Chiluvuri, J. D. Lewis 454. Substituted dianilinoquinones as ligands in magnetic materials. A. T. Brusoe, J. R. McDade, V. P. McCaffrey 455. Supercritical conversion of cellulosic materials to glycosides. A. A. Hurd, R. C. Holtan, W. S. Trahanovsky 456. Suzuki coupling of a zwitterionic boronic acid. R. W. Flurie, A. S. Koch 457. Suzuki-Miyaura cross-coupling of arenediazonium salts and potassium aryltrifluoroborates utilizing recyclable heterogeneous palladium catalyst systems. J. M. Hanna Jr., B. D. Angel 458. Synthesis and application of polymerbound IBX toward the oxidation of phenols to o-quinones. J. Phillips, C. Taylor, J. Zhang 459. Synthesis and biological activity of thymol derivatives. M. Haltom, R. Staton, J. P. Deville 460. Synthesis and characterization of 2,6dimethyl-4-p-substituted phenyl-3-cyclohexenecarboxylic acids. C. R. O’Hearn, S. Xie 461. Synthesis and characterization of a new series of 5-formyl-2-furan-sulfonic acid thiosemicarbazone compounds. E. P. Hoy, E. Stoner, R. C. Huxford, E. C. Lisic 462. Synthesis and functionalization of a dibenzo-30-crown-10 derivative for incorporation into a light-emitting polymer. E. E. Fortin, R. A. Giles, P. A. Bonvallet 463. Synthesis and ion binding properties of a 2-quinoxalinol salen schiff-base ligand. J. M. Davis, J. D. Caraway, Z. A. Juhl, A. Roberts 464. Synthesis and luminescence properties of substituted triphenylene derivatives. S. Atim, E. Hamilton, M. R. Omary, P. Vasabhaktula 465. Synthesis and metalation of thermally unstable adducts of bis(carbene) CCCtype pincer ligands. P. L. Osburn, A. J. Schmidt 466. Synthesis and photochemistry of cyclam-4. R. L. Wilson, J. E. Elbert 467. Synthesis and photochemistry of Cyclen-4. J. N. Scott, J. E. Elbert 468. Synthesis and properties of polystyrenesupported dppa ligands. L. Thompson, K. Hoppert, R. Tarkka 469. Synthesis and radical trapping of novel heterocyclic aromatic nitrones. C. W. Beier, M. A. LaFontaine, F. T. Ladipo 470. Synthesis of (3-nitro-4-hydroxyphenyl)phosphonic acid. I. M. Yarger, B. W. Kail 471. Withdrawn. 472. Synthesis of 2,3-dihydro-1H-1,5-benzodiazepines. A. Conklin, K. Yamaguchi 473. Synthesis of 2,6-dimethyl-4-m-methylphenyl-3-cyclohexenecarboxylic acid. H. J. Stein, S. Xie 474. Synthesis of 9-(methylsulfoxide)anthracene in the investigation of photoinduced DNA cleavage. C. Sacco, A. H. Predecki 475. Synthesis of N-butyl-4-[(N,N-bis-2’aminoethyl)amino]-1,8-naphthalimide. B. J. Hale, J. E. Elbert 476. Synthesis of a histidine analog: (2-Imidazolyl)alanine. G. Logan, K. A. Lipford, E. Oxford, D. R. Haines 477. Synthesis of a model compound of corydendramine A. T. N. Gruber, C. J. Nichols 478. Synthesis of a novel NHC and analysis of its selectivity in Ni-catalyzed rearrangements of cyclopropylen-ynes. K. M. Wiggins, J. Louie 479. Synthesis of the capture ligand ethyl (4-nitrophenyl)[11-([1,3-diazole]carbamate)undecyl]phosphonate. A. B. Thomas, D. M. Stallings

480. Synthesis of bis-naphthoic acid disulfide: An aged soot aerosol model. K. A. Koopman, R. T. Amel, K. M. Backstrand 481. Synthesis of chalcones and flavones via TLC. Q. H. Trang, L. T. Tsang 482. Synthesis of chiral N-alkoxybenzohydroximoyl halides. G. M. Landry, B. R. Williams, T. E. Thomas, D. D. Dolliver 483. Synthesis of diazo dyes. J. L. Ketron, M. J. Harlow, G. Seebach 484. Synthesis of dipyrazoles using a vinamidinium salt. W. A. Stull, S. R. Nunes, S. Q. Smith 485. Synthesis of electron rich dehydrobenzoannulenes for incorporation into multicomponent devices. C. P. Miller, K. Russell 486. Synthesis of ethyl-4-phenylbenzoate via aqueous Suzuki coupling: Development and implementation of a novel green chemistry experiment for the undergraduate organic chemistry laboratory. N. E. Costa, J. M. Simard, C. A. Syvinski, A. M. Deveau 487. Synthesis of halogenated azulenic ketones. A. Blice-Baum, B. Gros, G. T. Spyridis 488. Synthesis of heterocyclic molecules via room temperature decarboxylation of cyclic carbamates. P. H. Willoughby, A. E. May, T. R. Hoye 489. Synthesis of highly enantiopure chroman-4 and thiochroman-4-amines by the catalytic reduction of oxime o-benzyl ethers using the novel spiroborate ester/ borane system. F. G. Merced Ortiz, H. Melendez Gonzalez, K. Huang, M. Ortiz 490. Synthesis of latent chromophores for coupling with alcohol oxidase as a novel visual indicator system for ELISA. L. M. Gaworski, J. T. Ippoliti 491. Synthesis of nucleoside monomers: Precursors for the preparation of phosphinate DNA. S. P. Drew, D. J. E. Hanson 492. Synthesis of optically active sevenmembered carbocyclic rings via a microwave-assisted oxyanionic 5-exo dig cyclization–Claisen rearrangement sequence. J. A. Sullivan, T. V. Ovaska 493. Synthesis of organocatalysts for asymmetric Robinson annulations. S. E. St. John, K. E. Lazarski, A. A. Rich, C. M. Mascarenhas 494. Synthesis of phenanthro-fused quinoxalenediynes to examine enediyne photoreactivity with visible light. K. A. Rivera, J. D. Spence 495. Synthesis of phenoxide ligands and titanium catalyzed hydroaminations. K. Awasung, S. A. Waratuke 496. Synthesis of polyaza macrocyclic hosts and characterization of fluorescent dye guest-host complexes. D. E. J. Atkinson, J. E. Lee, T. McCann 497. Synthesis of potential muscarinic agents for alzheimer’s application. A. Ovierto, Y. Cruz, J. Boulos, A. Soprani, C. Akel 498. Synthesis of serrulatane-type compounds with antimicrobial properties. K. Pfirman, L. D. Pedersen 499. Synthesis of sulfur-bridged bis-phenanthroline molecules for telomerase inhibition. A. D. Leenstra, A. P. Krapcho 500. Synthesis, purification, and characterization of a highly fluorinated dendrimer. J. B. Stegall, W. G. Hollis Jr., P. A. Deck 501. Synthetic and conformational studies on ␣,␣⬘-bis(2-naphthyloxy)-para-xylene and para-bis(2-naphthylmethoxy)benzene for potential molecular assembly. R. Hicklin, S. Sarkar 502. Synthetic approaches to a three-pronged C60 molecular transistor. D. M. Rivera, A. J. Athans, A. L. Ortiz, L. Echegoyen 503. Synthetic studies of spiroketal enol ether natural products. E. N. Lakin, J. L. Koviach-Côté 504. Synthetic studies on (+)-boronolide. K. J. Quinn, J. M. Curto, T. Vo 505. Synthetic studies toward the frondosins: Total synthesis of (±)-frondosin A. A. E. Keon, T. V. Ovaska 506. The development of molecular color sensors for abused narcotics incorporated into sol-gels. S. E. Pacquette, A. Holmes 507. The photochemistry and electrochemistry of 4,N-dibutyl-1,8-naphthalimide. D. M. Thomas, D. J. Elbert

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CHED 508. The synthesis and structures of arylpyran pseudoacyl derivatives. W. D. Robinson, E. J. Valente 509. The synthesis of heterotelechelic macroinitiators. T. Tomlin, H. N. Gray 510. Total synthesis and evaluation of T4 lysozyme activity of two N-acetylmuramic acid derivatives. K. N. Pobanz, D. J. E. Hanson 511. Toward a biomimetic synthesis of (+)davanone. K. C. Brown, K. L. Poindexter, P. D. Dossa, D. A. Vosburg 512. Toward P-heterocyclic carbenes: Synthetic efforts from amine precursors. W. F. Lebbos, K. M. Biggs, J. E. Williams 513. Toward the development of site-switchable DNA-binding peptides with built-in functionality for late-stage dimerization by 1,3-dipolar cycloaddition. D. P. Curran III, V. Dodero, T. A. Knoerzer, J. L. Mascareñas 514. Tris(2-fluoroethyl) phosphite as a coinitiator for diaryliodonium salt-induced cationic polymerization. D. J. Schraufnagel, T. W. Nalli 515. Use of a quinidine derivative to form an asymmetirc catalyst with sodium borohydride. E. E. Hoke, W. E. Dasher 516. Use of automated solid phase dynamic extraction (spde)/gc-ms as a solventless, green chemistry technique for headspace analysis of tea: An undergraduate lab experiment. C. A. Washington, S. V. Ray, D. A. Fuller, L. J. Broederdorf, S. R. Jackson, T. E. Goodwin 517. Use of spacers in the preparation of antiaromatic dications. C. Fuller, E. Darius, N. S. Mills 518. Use of spacers in the preparation of antiaromatic dications: Dications through oxidation. A. Lopez, C. M. M. Hurd, N. S. Mills 519. Using a [2+2] photocycloaddition approach to synthesize sterpurene. J. K. Larson, K. McMahon 520. Utilizing olefin cross metathesis for the synthesis of peptide isosteres. A. L. Cianci, B. R. Sculimbrene 521. Work on the synthesis of a symmetrical dihydroxydibenzo-26-crown-8. M. Hartley, J. S. Howard, J. T. Copenhaver, L. R. Sousa 522. N-Ethylmaleimide and anthracene reaction kinetics in high temperature water. L. Gron, M. Ayres 523. Highly enantioselective cyclopropanation of substituted allenes using rhodiumstabilized carbenoids. T. M. Gregg, M. K. Farrugia 524. Highly enantioselective reduction of thiofuranyl ketones with borane and the spiroborate ester derived from (S)-diphenyl prolinol as catalyst. C. Vazquez, L. Bermudez, M. Ortiz, V. Stepanenko, W. Correa, M. De Jesús 525. Identification of singlet oxygen as the reactive oxygen intermediate generated by a photoexcited solution of lucifer yellow CH. B. A. McCutcheon, M. J. Wilcox, J. S. Wilkes 526. Infrared study of changes in conformation associated with intermolecular hydrogen bond formation in aliphatic alcohols. A. Riojas, J. D. Lewis 527. Inter- and intramolecular ketene-nitrile oxide cycloadditions. M. Clements, J. P. Deville 528. Intermolecular C-H insertions and ylide formation by donor/acceptor-substituted rhodium (II) carbenoids. A. L. Grote, H. M. L. Davies 529. Inverse electron demand Diels-Alder reactions of terminally-activated dienes. C. L. Berdahl, N. A. Yakelis 530. Investigation of 1,2-sigmatropic rearrangements in N-phenylpyrazoles. J. C. Sloop, J. R. Rhode, G. Washington, R. H. Hoff 531. Investigation of compounds isolated from Eurycoma longifolia. R. M. Stolley, P. Kittakoop 532. Investigation of Montmorillonite K10 clay-catalyzed ring expansion reactions. M. Damiano, M. M. Zuziak, M. R. Dintzner


28–TECH

TECHNICAL PROGRAM 533. Investigation of the antioxidant levels in the pulp, peel and seed of the mango fruit. N. Vasumathi, N. Mwebi, A. C. Nichols, A. Casey, K. Greer 534. Investigation of the formation of o-quinones from annelated phenols with o-iodoxybenzoic acid. A. M. Fung, R. M. Miller, J. Zhang 535. Investigation of the plp-beta-chloraalanine reaction by mass spectrometry. T. King, D. J. Swartling, J. O. Boles 536. Investigation of the reactions and mechanisms of 1-methoxy-1,3-butadiene and related compounds with the chloramines. J. L. Boerneke 537. Investigations of Hartwig-Buchwald amination reactions in air with new bulky neopentyl phosphine palladium catalysts. J. Crowell, S. Tutwiler, L. L. Hill, K. H. Shaughnessy 538. Iron- and cobalt-catalyzed cross-couplings of phenylmagnesium bromide to cyclohexane-based alkyl halides of varying substitution. J. M. Penich, J. K. Vohs 539. Isolation and characterization of compounds found in Maquira calophylla. C. T. Pfeiffer, K. M. Halligan 540. Knoevenagel reactions of Meldrum’s acid with aldehydes and ketones. D. J. Roubik, C. J. McCormick, A. B. Guerrero, D. J. Swartling 541. Charge transfer in copper(I) complexes with a strongly coordinating counterion. L. M. Matosziuk, T. Pintauer, J. D. Evanseck 542. Lewis acid-catalyzed reactions of allyl silanes with N,O-acetals: Toward the asymmetric synthesis of unnatural amino acids. K. F. Potter II, A. D. Wier, T. J. Peelen 543. Light-mediated decomposition of fludioxonil. H. Hunt, D. A. Underkoffler, T. Hurd, A. H. Predecki, D. P. Predecki 544. Mechanism of lucigenin fluorescence quenching by chloride ions. C. A. Ragland, N. Cristea, J. Kugler, E. F. Healy, J. S. T. Gorman 545. Mechanistic studies in enamine organocatalysis: A simple assay for identifying kinetically controlled organocatalysis. N. C. Bair, T. J. Peelen 546. Mechanistic studies of free radical azidation. J. P. Shackleford, D. S. Masterson 547. Microsolvation of cysteine: A computational study. T. Nguyen, S. M. Bachrach 548. Microwave assisted and copper(I)-thiophene-2-carboxylate mediated synthesis of azalamellarins. C. J. Bruns, N. Thasana 549. Microwave assisted synthesis of tetrahydrofuran via acid catalyzed cyclodehydration of 1,4-butanediol. M. J. Gorka, P. M. Smith 550. Microwave-assisted Clauson-Kaas synthesis of pyrroles. S. M. Mays, B. K. Southerland, B. G. VanNess, D. M. Ketcha 551. Microwave-assisted hydration of alkynes over Montmorillonite K10 clay. S. McKean, M. R. Dintzner 552. Modeling the 6 pi-e− electrocyclization reaction: Looking for torquoselectivity. D. Smith, S. M. Bachrach 553. Montmorillonite K10 clay-catalyzed synthesis of phenazines. M. Pacilli, D. J. Pileggi, M. R. Dintzner 554. Natural products: Divine inspiration for chemistry. S. M. Quan, S. A. Snyder 555. New esters for probing the IrelandClaisen reaction. R. Johnston, W. Beale, M. J. Campbell 556. New quaternary ammonium fluoride salts for fluorination. G. K. Agbleze, A. S. Koch, S. G. DiMagno 557. New synthetic approaches toward pentacyclo[4.3.0.02,4.03,8.05,7]non-4-ene. M. A. Forman, M. Ortlip, M. Connolly 558. Novel synthetic approach to a perhydroazulene through a decalin rearrangement. M. A. Drahl, C. E. Schiaffo, L. J. Stephens 559. On the synthesis and circular dichroism of porphyrin DNA conjugates: Cu-TPyrPhPorphyrin-5’-TGCGCGCA. A. Wolfe, S. Chaturantabut, A. Mammana, K. Nakanishi, G. A. Ellestad, N. D. Berova 560. One pot synthesis of novel 2-amino-3cyano-4H-chromenes. K. R. Vonderfecht, F. Tayyari, R. E. Sammelson 561. Optimization of the methodology for the synthesis of phosphinate esters. M. E. Barter, J. E. Hanson

562. Optimization of the total synthesis of a branched chiral selector stationary phase with vancomycin termini. S. A. Henrie, W. H. Stepp, D. E. Verbist 563. Optimized synthesis of 2,2’-carbonyldiisoxazolidine, a convenient reagent for the stepwise synthesis of ketones. M. R. Uehling, N. A. Yakelis 564. Organic reactions at polymer coating interfaces. L. Williams, H. N. Gray 565. Organic solar cells: Synthesis and testing of novel, soluble fullerene derivatives. M. J. Bruzek, J. E. Anthony, S. R. Parkin 566. Palladium ␲-allyl route to the endiandric acid cascade. T. C. Wong, K. Loh, K. C. Gray, S. J. Sobelman, D. A. Vosburg 567. Palladium catalyzed coupling reactions using water-soluble phosphine ligands: DTBPSP and DAPSP and their ability to promote coupling reactions. M. E. Killian, S. E. McLendon, W. S. Brown, K. H. Shaughnessy 568. Palladium catalyzed Sonogashira coupling with water-soluble phosphine ligands to promote activation of aryl halides. D. D. Boykin, W. S. Brown, K. H. Shaughnessy 569. Palladium catalyzed Suzuki coupling with water-soluble phosphine ligands to promote activation of aryl halides. M. Q. Sonnier, W. S. Brown, K. H. Shaughnessy 570. Palladium-catalyzed C-H activation of tertiary amides. R. Demerzhan, O. Daugulis 571. Palladium-catalyzed homocoupling of arenediazonium salts: Scope and limitations. J. M. Hanna Jr., V. S. Kochurina 572. Palladium/phosphine catalyzed coupling of aryl bromides with phenyl selenolates: Synthesis of asymmetric diaryl selenides. F. V. Brown, K. H. Shaughnessy 573. Pechmann and Knoevenagel synthesis on TLC plates. S. B. Waraprateep, S. M. Beamesderfer, J. Stoddard 574. Per-Gd-DTTA-␤-cyclodextrin: An easily functionalized MRI tag. A. S. Wolf, J. M. Bryson, T. M. Reineke 575. Polymer-supported anhydrous fluorination reagents. J. H. Lee, A. S. Koch, S. G. DiMagno 576. Practical synthesis of gem-difluorohomopropargyl carbonyl analogs and their application toward gem-difluoro heterocycles. R. Bottom, M. Ali, S. Arimitsu, G. B. Hammond 577. Prediction of reduction potentials from electron affinities for metal-salens: A dual experimental/computational approach. K. R. England, H. Kaur, A. R. Mitchell, B. R. Gherman, J. A. Miranda 578. Preparation and characterization of alpha phytanyl D-mannopyranoside. M. L. Schulte, R. A. Kjonaas 579. Preparation of analogs of Indolactam V via chemoenzymatic aryl amination. D. B. Ball, D. J. Edwards, T. N. Gruber 580. Preparation of di-tert-butyl cyclo-L-cysteine and its corresponding sulfoxide. M. A. Miller, M. Cox, R. W. Fitch 581. Preparation of dipolar crystals of m-phenylenediamines. L. T. Kyser, L. T. Gray III, S. C. Blackstock 582. Withdrawn. 583. Preparation of photoreactive analogs of an inverse agonist of the glucagon-like peptide-1 receptor. M. W. Thompson, D. R. Haines 584. Preparation of silyl enol ethers from acyloin derivatives using silyllithium reagents. B. D. Robertson, A. M. Hartel 585. Preparation, characterization, and exploratory photochemistry of 3-(N-methylanilino)-2-butenoic acid and its ester derivatives. D. G. Watson, S. R. Woodruff


586. Progress toward a chiral hypervalent iodonium ylide. W. D. Andert, T. Giacomazzi, A. N. French 587. Progress toward the enantioselective total synthesis of angelmarin: A natural product targeting pancreatic cancer. C. Woo, J. Ngai, D. Carrico-Moniz 588. Effects of Lewis acids on the Cope rearrangement of 3-vinyl-5-hexen-2-one. G. M. Williams Jr., H. H. Hamide, K. D. Becnel, K. M. Morgan 589. Effects of steric hindrance on a key cyclization in the synthesis of the alkaloid lunamarine. K. R. Lloyd, M. S. Leonard 590. Efforts toward the synthesis of (+)kalkitoxin and some analogs. A. A. Oni, R. J. Mullins 591. Efforts toward the synthesis of (+)pilosine. M. T. Corbett, R. J. Mullins 592. Electronic effects on diastereoselectivity. K. L. Shaw, R. E. Rosenberg 593. Electronic perturbation of N-sulfonyl oxaziridines. A. C. Jacobsen, D. J. Michaelis, T. P. Yoon 594. Electrophilic aromatic substitution reactions with selected catalysts in ionic liquids. K. M. Traister, M. W. Thomsen 595. Enantioselective synthesis of 2-aminocyclobutanol. R. R. Chase, R. W. Fitch 596. Epoxidation and epoxide ring-opening reactions of carvone. L. A. Ruiz, L. J. Anna 597. Epoxy alcohol catalysts. E. Black 598. Examining the intramolecular silyl nitronate cycloaddition using O18. J. Horter, J. L. Duffy-Matzner 599. Exo- and enantioselective Diels-Alder reactions: Pyrazolidinone auxiliaries are able to override secondary orbital interactions. J. P. Shackleford, L. Stanley, M. P. Sibi, X. Nie, F. Bouret 600. Experimental and theoretical investigation of 2-methoxyethylidene. K. S. Graves, D. M. Thamattoor 601. Extensions to modeling and acid dependency in the Evelyn effect. R. P. Donohoue, J. O. Currie Jr. 602. Extraction of glucosinolates from cruciferous vegetables. L. M. Taylor, J. K. Vohs 603. Fluorescent nature of N-[2-(2-Aminoethylamino)-ethyl]-4-butylamino-1,8-napthalimide with various transition metals. M. M. Kelly, J. E. Elbert 604. Fluoroalkenes as peptide bond replacements: A computational study of the conformational ramifications. B. E. McKinney, J. J. Urban 605. Formation of proximal ␤-hydroxy silyl enol ethers from ␣,␤-epoxyketones using silyllithium reagents. H. K. Baker, A. M. Hartel 606. Functionalized small molecules in the development of site-switchable DNAbinding peptides. E. K. Burns, S. B. Robinson, V. Dodero, T. A. Knoerzer, J. L. Mascareñas 607. Gas phase studies of the stereochemistry of E2 reactions. A. J. Alexander, S. Gronert 608. Generation and characterization of ferrocenylphenylketene. J. M. Henderson, J. M. Ferguson 609. Dichlorocarbene addition to cycloalkenes. W. P. Reeves, A. L. Cockrell 610. Diels-Alder reactions: Synthesis in high temperature water. L. Gron, R. Parish, M. Ayres 611. Diols as chiral auxiliaries in the separation of racemic mixtures. N. M. Glagovich, D. M. Mooney Jr. 612. Effect of carbinol group placement on complementary reactions of a dipyrromethanedicarbinol + 2,2⬘-bipyrrole and a 2,2⬘bipyrroledicarbinol + a dipyrromethane leading to corrole and an octaphyrin. K. C. Braaten, D. G. Gordon, M. M. Aphibal, G. R. Geier III 613. Modifications of T-0632, an inverse agonist of GLP-1R. L. Kim, J. Y. Lin, D. R. Haines 614. Effect of substitution on the molecular conformations and crystal structures of some centrosymmetric benzylideneanilines. B. Balidemaj, W. H. Ojala 615. Solid-state investigation of halogen-nitrile contacts in isomeric benzylideneanilines. K. M. Lystad, W. H. Ojala 616. Crystal structure of a pyridyl-benzylideneaniline. E. M. Korman, W. H. Ojala

CHED 617. Synthesis of enamines for ortho-quinone hetero-Diels-Alder reaction. D. Nayyar, C. Taylor, J. Zhang 618. Configurational analysis of D and L-methamphetamine by the exciton chirality method. C. C. Flitcroft 619. Continuing studies toward the construction of spirocyclic ethers. R. B. Ahmed-Schofield, D. Milner, A. Scioneaux 620. Contrast between complementary dimeric carboxylic acid and pseudoacid hydrogen-bonding in a single system. M. C. Milling, E. J. Valente 621. Controlled ring opening metathesis polymerization (ROMP) with 1st and 2nd generation Grubbs-type olefin metathesis catalyst derivatives. M. N. Dunbar, H-J. Schanz 622. Copper catalyzed sp2 C-H bond arylation. R. K. M. Khan, O. Daugulis 623. Creation of web accessible NMR spectral database. S. A. Klankowski, T. W. Nalli 624. Crystal engineering with flavonoids. D. J. Timmons, A. A. Bernas, M. R. Pacheco, K. A. Fricke 625. Concise syntheses of three biologically active natural products. J. S. Beckett, J. Hofferberth 626. Curtius rearrangement using environmentally friendly conditions. J. L. Kuhler, R. T. Brooks, W. K. Helms, K. D. Holley, O. I. Koriko 627. Decarboxylation reactions with alkyne acid derivatives. T. A. Hirsch, A. M. Schoffstall 628. Design and synthesis of 5-arylisoxazolines and 5-arylisoxazole libraries as GABA receptor probes. D. K. Miller, C. A. Bailey, R. E. Sammelson 629. Design and synthesis of novel pyrazolidinone compounds. M. J. Caspers, C. P. Jasperse 630. Designing stable, aromatic Möbius annulenes. E. Noey, W. L. Karney, C. Castro 631. Determination of the 1HNMR Karplus constants of bicyclic oxolactams for solution-phase structure analysis. S. M. Cyrus, P. T. Buonora 632. Developing computational models of organic reduction potentials for photooxidant design. A. L. Speelman, J. G. Gillmore 633. Development of a new organic chemistry lab procedure: Fermentation and distillation of ethanol. A. J. Albrecht, N. E. Carpenter 634. Development of new methods for catalytic phosphorylation. P. B. Brady, B. R. Sculimbrene 635. DFT modeling of the transition state topologies of the amide-acetal Claisen rearrangement. S. M. Vine, S. K. Avrantinis, R. J. Cave, G. W. Daub 636. Dianions of derivatives of 1H-benzocycloheptene: The effect of benzannulation on antiaromaticity. D. J. Swingle, N. S. Mills 637. Diastereoselective addition of chiral ketone enolates to benzyne: Asymmetric synthesis of biologically active benzocyclobutenols. O. J-C. Nicaise, J. A. Schneider, C. L. Rose 638. 1, 2-Amino alcohols from aza nucleophile addition to epoxides. J. J. Badillo, P. T. Buonora 639. 3-Isoxazolidinone: A new achiral template for enantioselective transformations. K. Kalliokoski, B. Gustafson, M. P. Sibi, J. Coulomb 640. Further analysis of solvolysis mechanisms of aromatic chloroformates. K. E. Shuman, S. E. Carter, M. J. D’Souza, D. N. Kevill 641. A highly electron-deficient benzoquinone, 2,3-dicyano-5,6-difluoro-p-benzoquinone. N. C. Bruno, A. S. Koch 642. A new stereoselective “green” Morita−Baylis−Hillman reaction. N. E. Craig, J. A. Struss 643. A photochemically-triggered amino acid radical precursor. T. M. Green, K. N. Carter 644. A self-assembled multivalent receptor for peptides. A. A. Kennedy, J. Reczek, A. R. Urbach 645. A study of nucleophilic displacement reactions in the bicyclo[4.2.1]non-3-en-2-yl system. J. A. Doran, D. W. Boerth

646. A synthetic route toward P-heterocyclic carbenes starting from phosphites. J. D. Meserve, T. A. Peryea, J. E. Williams 647. Aldol condensation of aromatic aldehydes with acetophenone. A. B. Guerrero, D. J. Roubik, D. J. Swartling 648. Aldol condensation reaction of 1-pentanal via mechanochemical processing in the presence of aluminum. J. Gonzalez, B. Mitchell, A. Heintz 649. Alkynoic acid cyclization. Z. Ostojic, W. Ting Ting, T. N. Jones 650. Alternative route to 4-hydroxyisoquinolines. N. A. Hastings, J. Post, J. C. DiCesare 651. An improved method for the synthesis of corannulene. F. A. Fullilove, P. Bachawala, J. Mack 652. An intermolecular conjugate addition approach to the synthesis of lunamarine. L. L. Tomasevich, M. S. Leonard 653. An intramolecular conjugate addition approach to the synthesis of lunamarine. L. K. Amos, M. S. Leonard 654. An intramolecular conjugate addition approach to the synthesis of lunamarine congeners. N. J. Graf, M. S. Leonard 655. Analysis of pyrrolizidine alkaloid in Cacaliopsis nardosmia. D. S. Kelley, D. W. Erickson, D. L. Canavan, R. B. Kelley 656. Anion binding studies with pyrrole sulfonamides. M. T. Huggins, T. Butler, P. Barber 657. Application of germyldesulfonylation reactions in nucleoside chemistry. J. A. Restrepo, P. R. Sacasa, J-P. Pitteloud, S. F. Wnuk 658. Application of hypervalent iodine in the synthesis of alkaloids. B. P. Struss 659. Applications and synthesis of a pyrazolidone chiral relay system for asymmetric alkene additions. K. Brandvold, C. P. Jasperse 660. Asymmetric addition of Grignard reagents to chiral N-phosphonyl imines. A. Kattuboina, P. Kaur, T. Nguyen, G. Li 661. Asymmetric methylidene transfers using sulfur ylide technology. D. C. Forbes, S. C. Pischek 662. Attachment of tris(pyrazolyl)methane ligands to synthesis beads. T. Linz, E. Mangum, R. Tarkka 663. Lewis acid-catalyzed alkylation of 4,5,6,7-tetrahydroindole: A possible route to 2-substituted indoles. R. G. Dehkharghani, C. E. Ballard 664. Chiral amidines as nucelophilic organocatalysts. B. E. Cox, C. E. Ballard 665. Combination of solid phase dynamic extraction (spde), chiral column gas chromatography, and mass spectrometry for analysis of compounds found in elephant excretions and secretions. S. R. Jackson, L. J. Broederdorf, M. E. Rountree, S. B. Bradley, T. E. Goodwin, B. A. Schulte 666. Comparing pyrrolizidine alkaloids in Onosmodium decipiens and O. virginianum. W. R. Parker, K. L. Miller, R. B. Kelley 667. Comparison of fused and nonfused tricyanovinyl-substituted ring systems for organic materials applications. B. J. Hermanson, T. M. Pappenfus 668. Competitive oxidation of organic alkyl and aryl polysulfides. K. L. Stensaas, S. R. Herman, S. Ahuja 669. Complementary chemical and biological studies of elephants in captivity and in the wild: A route to understanding mammalian chemical communication. L. J. Broederdorf, S. R. Jackson, T. E. Goodwin, J. M. Meyer, B. A. Schulte 670. Computational estimates of energy barriers to pyramidal inversion of sulfur ylides. C. Richards, S. A. Stoffregen, W. S. Jenks


671. Computational study of Schmidt-analogous rearrangements of N-alkoxyimine azides. R. J. Weber, T. Sommerfeld 672. Schmidt-type rearrangement reactions of N-alkoxyimidoyl azides. M. L. Lanier, V. S. Wills, C. J. Costanza, J. A. Dinser, D. D. Dolliver, A. S. McKim 673. Reactions of carbene complexes to create cyclic, phosphine containing compounds using nontraditional heating methods. G. J. Meyer, D. S. O’Reilly 674. Study of an alternate ␣-elimination reaction to form carbenes. M. E. Super, N. T. Allison 675. Synthesis and chemistry of di-tert-butylcycloheptatrienylidene when attached as a ligand with a transition metal. T. Binz, N. T. Allison 676. Synthesis of hematite in the presence and absence of water. R. E. Vanderslice, B. P. Huddle 677. Synthetic studies and characterization of porphyrins immobilized in a sol-gel matrix. P. Simon, D. E. McCall, C. H. Lisse, R. A. Richards

Section J Morial Convention Center Hall A Undergraduate Research Poster Session: Polymer Chemistry Cosponsored by PMSE, POLY, and SOCED

N. Bakowski, Organizer 11:00–1:00 678. Adsorption of bovine serum albumin onto clean and polymer-coated gold surfaces. K. S. Lee, C. Min, N. T. Flynn 679. Alkoxygermanes as calcareous stone consolidants and biocidal agents. T. R. Metzger, G. E. A. Rudd 680. Amphilic block copolymer precursors to cobalt polymer hybrids. J. A. Garber, A. Sundararaman, R. B. Grubbs 681. Effect of organoclay additives on the physical properties of polyurethane elastomers. J. V. McClusky, S. Toledo, J. Ebrom, A. P. Vogt, M. Smith 682. Theoretical, thermal, and electrochemical properties of poly(3-alkylthiophenes) for undergraduate lab experiments. S. G. Kohl, L. M. Thoma, T. M. Pappenfus 683. Thermal analysis of polyimide blends made from aromatic dianhydrides. M. F. Sanders, D. Hubbard 684. Toward sequential anionic and controlled radical polymerization from a single carbon. N. D. Contrella, E. S. Tillman, C. A. Jellison 685. Synthesis and chemosensory characterization of substituted anthracene bisimide derivatives. A. D. Carbaugh, D. S. Tyson, M. A. Meador 686. Synthesis of alkynyl poly(phenylene vinylene)s as scaffolds for click chemistry. D. G. Anderson, W. A. Feld 687. Synthesis of microcapsules containing dialkylanilines and their use in frontal polymerization. J. L. Reed, B. H. McFarland 688. Synthesis and characterization of polymers for sequestering carbon dioxide based on poly(vinyl alcohol). J. T. Elliott III, K. A. Shaffer, T. Chapman 689. Synthesis and structure-property studies of thiophene-benzene alternating copolymers. M. A. Lang, M. D. Watson 690. Spectroscopic characterization of lightemitting organic polymers. A. B. Marley, P. A. Bonvallet 691. Structures of microgel/silica aggregate particles. L. A. Lyon, A. N. St. John, C. Talbert 692. Study of cellular adhesion and viability on modified nitinol surfaces. L. N. Barriger, R. Quiñones, E. S. Gawalt 693. Progress in the fabrication of stable and efficient polymer light-emitting diodes. J. D. Keelor, P. A. Bonvallet 694. Polystyrene-b-poly(ethylene oxide) (PSPEO) langmuir films: The effect of PS and the interface. E. C. Holupka, J. L. Logan 695. Preparation of phenol/formaldehyde nanocomposites with tetraethylorthosilicates. Z. A. Whitfield, A. Ludwick, M. E. Rogers

696. Polymer immobilized mediators for enzymatic bioelectrocatalysis. J. Anewalt, M. Patel, P. A. Jelliss, S. D. Minteer 697. Toward polymerizable derivatives of dibenzotetraaza[14]annulenes. J. A. Tripp, B. G. Konzman 698. Treasure from trash: Synthesis of a soil release agent for polyester by base catalyzed transesterification of poly(ethylene terephthalate) with poly(ethylene glycol). G. Bowman, K. G. Tochiki 699. Use of sulfur tetrafluoride to produce perfluorinated monomers. S. M. Gardner, K. W. Felling 700. Why are amine quinones monomers used for corrosion inhibition. M. J. Campbell, C. M. Hill, A. B. Helms 701. Polymer synthesis for CO2 sorption and desorption. A. T. Olphin 702. Polymerization of nitro aromatics. B. M. Mosby, J. D. Martin, R. Wilcox 703. Polyhedral oligomeric silesesquioxanes (POSS) nanoparticle additives to polyurethane coatings. D. Rodriguez, T. Mirro, R. Racicot 704. Polyhedral oligomeric silesesquioxnaes (POSS): Silicon based monomers and their use in the preparation of hybrid polyurethanes. N. Herr, H. Klukovich, R. Racicot 705. Free-radical frontal polymerization using microencapsulated reaction components. A. J. Ferrari, N. D. Williams 706. Fundamental studies on condensative chain polymerizations leading to poly(arylene ether)s. T. Meyer, E. Fossum 707. Green polymer adhesives. J. Mouchon, A. B. Waghe, P. Thompson 708. Hydrogels based upon random copolymerization of 2-hydroxyethyl acrylate and 2-hydroxyethyl methacrylate: Characterization and controlled drug release. A. L. Morris, W. T. Grubbs 709. Incorporation of lateral methyl groups into liquid crystalline compounds: Effects of structural modifications on phase behavior. M. C. Whittle, E. T. Samulski, E. Scharrer 710. Influence of diblock copolymer composition on the phase behavior of a polymer blend studied by cloud point measurements. N. D. Grant, D. A. Waldow 711. Isothermal frontal polymerization: Miscibility studies to compare calculated solubility ratios of polymer seed to copolymer product of several polymer systems. K. N. Massey, E. R. Meyer, J. R. McPherson, L. L. Lewis 712. Laser line deflection to study the diffusion of neat methyl methacrylate and high molecular-weight poly(methyl methacrylate). J. R. McPherson, K. N. Massey, E. R. Meyer, J. S. Hanna, L. L. Lewis 713. Laser-induced fluorescence lifetime spectroscopy to determine oxygen solubility in polymeric layered composite films. L. T. Kromer, K. A. Craigo, N. J. Dunn, R. L. Wheaton, J. A. Gray 714. Lipid polymers: Building bilayer biomaterials. M. J. Magner, R. Kasi 715. Macromolecular release using thermoresponsive hydrogels. J. C. Thomas, N. T. Flynn 716. Molecular modeling of dendrimer/ squalane interactions. J. L. Lyons, K. Pasupathy, P-C. Ke, M. H. Lamm 717. Monitoring a nitroxide mediated polymerization using gas chromatography and gel permeation chromatography. C. M. Herforth, N. A. Marotta, E. S. Tillman 718. Photochromic monomeric materials for holography data storage. R. E. Camacho-Aguilera, E. Ishow 719. Synthesis and phase behavior of new liquid crystalline oxadiazole derivatives. J. Lindborg, E. T. Samulski, E. Scharrer 720. Computational study of sterically restricted dipseudoanhydrides. E. E. Russell, E. J. Valente 721. Decoupling of mechanical and adhesive properties of polymers. E. Anim-Danso, A. Joy, J. Kohn, C. Chen, D. Cohen, C. Shen 722. Development of a chitosan porphyrin complex. A. Adams, R. A. Richards 723. Development of a microfluidic biofuel cell. J. T. Steitz, M. J. Moehlenbrock, S. D. Minteer

TECH–29

TECHNICAL PROGRAM

CHED 724. Dissolution and reconstitution of silk to form multifunctional silk membranes. E. C. Page, W. M. Reichert, W. A. Henderson, M. G. Hanley, H. C. De Long, P. C. Trulove 725. Dynamic physical properties of hybrid metallo-supramolecular polymer networks. J. W. Overcash, J. L. Hawk, D. M. Loveless, S. L. Jeon, S. L. Craig 726. Effects of hydrophobically-modified Nafion on PGK enzymatic activity. Y. A. Arroyo, S. D. Minteer 727. Electrical characterization of anionic poly(terphenylenevinylene). L. L. Kegel 728. Ether containing silicone hydrogel synthesis and film properties. E. W. Thursby, M. A. Tapsak, M. West 729. Bicontinuous microemulsion study of ternary polymer blends using dynamic light scattering. C. J. Hamre, D. A. Waldow 730. Composite materials from proteins produced by animal coproduct industry and their chemical modification. J. Hodges, S. Sharma, I. Luzinov 731. Impact on mechanism of reaction with the presence of a bulky group on the ␣-carbon of chloroformate esters. S. E. Carter, M. J. D’Souza, D. N. Kevill 732. Development of thick film P3HT:PCBM bulk heterojunction devices and their hole mobilities characterized by time-of-flight measurements. A. S. Marshall, P. Kim, J. W. Perry

MONDAY AFTERNOON Section A Hilton New Orleans Riverside Rosedown Chemistry Education Research

J. P. Suits, Organizer R. Cole, Organizer, Presiding 1:30 Introductory Remarks. 1:35 733. A comparison of online homework with traditional homework in general chemistry. T. W. Johann, C. A. Sarisky 1:55 734. Role of low-level blocks in student solutions of stoichiometry problems. H. Fynewever, O. Gulacar 2:15 735. Chemistry and the real world: Are students making connections. K. J. Smith 2:35 Intermission. 2:45 736. Development of mastery learning modules for general chemistry. L. S. Van Der Sluys, M. J. Bojan, K. L. Adams, K. M. Krise, C. E. Palombo, M. L. Wright, P. N. Van Meter 3:05 737. Preliminary results of a second generation math diagnostic tool. C. A. Morse 3:25 738. Implementation and evaluation of student-centered recitation sections in general chemistry. T. C. Pentecost, L. S. Langdon, R. Parson 3:45 Intermission. 3:55 739. Relating the affective domain to retention and success in General Chemistry. S. E. Lewis, J. L. Shaw, J. O. Heitz 4:15 740. Exploring the educational potential of a chemistry-based computer video game. K. J. Martínez-Hernández, G. C. Weaver, C. Morales 4:35 741. High school chemistry: The alignment of resources in Turkey and New York state. M. M. Cetin, J. L. Zawicki

Section B Hilton New Orleans Riverside Melrose Teaching Undergraduate Inorganic Chemistry

W. E. Jones Jr., Organizer, Presiding 1:30 Introductory Remarks. 1:35 742. Achieving inorganic nirvana at Northern Kentucky University. K. A. Walters 1:55 743. Podcasting of inorganic chemistry topics through Blackboard: A desktop solution. W. E. Jones Jr. 2:15 744. Web-based materials for teaching concepts of molecular symmetry. D. H. Johnston

30–TECH

2:35 Intermission. 2:45 745. “Jeopardy” in the inorganic classroom: Teaching descriptive chemistry without actually “teaching” descriptive chemistry. J. Van Houten 3:05 746. Teaching modern inorganic chemistry in a one-semester inorganic course. J. S. Overby 3:25 Discussion.

Section C Hilton New Orleans Riverside Magnolia POGIL: Process Oriented Guided Inquiry Learning POGIL in the Laboratory

R. S. Moog, Organizer B. D. Gilbert, Presiding 1:30 Introductory Remarks. 1:35 747. Using POGIL in the laboratory. F. J. Creegan 1:55 748. Why do students follow recipes and resort to rote memory? R. S. Lamba 2:15 749. Designing guided inquiry laboratory activities for general chemistry. N. Konigsberg Kerner 2:35 Intermission. 2:45 750. Developing a new POGIL laboratory in an introductory organic course. R. D. Libby 3:05 751. Incorporation of modern gaschromatography mass-spectrometry in a process-oriented guided learning laboratory. M. R. Bukowski, M. K. Maurer 3:25 752. POGIL laboratory experiment for analytical chemistry: Cyclic voltammetry. N. J. Ronkainen-Matsuno 3:45 Intermission. 3:55 753. Student derivation of job’s plot of continuous variations. R. E. Belford, M. P. Griffin, J. G. Maher 4:15 Panel Discussion.

Section D Hilton New Orleans Riverside Jasperwood Chemical Evolution from Origins of Life to Modern Society Origins and Evolution Cosponsored by ENVR, GEOC, and ORGN

S. R. Seidel, J. M. Friedrich, and L. Zaikowski, Organizers, Presiding 1:30 Introductory Remarks. 1:35 754. The origin of biomolecules. A. Lazcano 2:05 755. Prebiotic selection of the AT basepair? A physical organic approach to understanding base-pair stability indicates unique stability. S. C. Zimmerman, J. R. Quinn, I. Shavitt, J. E. Del Bene 2:35 756. Self-assembly and the origin of the first RNA-like polymers. N. V. Hud, D. G. Lynn 3:05 Intermission. 3:20 757. Origin of homochirality. M. Klussmann, D. G. Blackmond 3:50 758. Energy supplies for the origin of life. M. Russell 4:20 759. Chemical coevolution of life and environment. A. D. Anbar 4:50 Concluding Remarks.

Section E Hilton New Orleans Riverside Oak Alley

2:15 762. Wiki hyperglossary and wiki links index. R. E. Belford, S. Z. Sullivan 2:35 Intermission. 2:45 763. How might social networking impact the teaching of chemical literature? H. E. Pence 3:05 764. Visualization and education network on ning: The first six months. E. M. Dorland 3:25 765. The interactive online network of inorganic chemists (IONiC): Inter-institutional grant writing, project planning, and community building using social networking tools. H. J. Eppley, M. J. Geselbracht, A. R. Johnson, B. S. Williams, B. A. Reisner, L. A. Watson, J. L. Stewart 3:45 Intermission. 3:55 766. Mimicking the formal/informal spaces of chemical laboratories in an inter-university collaboration with undergraduate and graduate researchers. A. C. Fahrenbach, K. A. McNitt, K. Parimal, A. Flood, D. A. Vander Griend, D. J. Wild 4:15 767. Using Second Life to teach organic chemistry. J-C. Bradley 4:35 768. Incorporating social networking tools to facilitate participation and discussion in nuclear chemistry. M. N. Ali, N. N. Chang, M. A. Garcia, H. Nitsche

Section F Morial Convention Center Hall A Undergraduate Research Poster Session: Biochemistry Cosponsored by BIOL, BIOT, and SOCED

N. Bakowski, Organizer 2:00–4:00 769. Activation parameters for nitric oxide binding to Alcaligenes xylosoxidans cytochrome c⬘: Probing the putative dinitrosyl heme intermediate. C. A. Petersen, D. A. Pixton, R. van Eldik, C. R. Andrew 770. Adsorption of protein to activated charcoal. T. Van, R. A. Kopper 771. Adsorption of soluble allergenic peanut proteins to activated charcoal. N. Piazza, R. A. Kopper 772. Alteration of amino acid residues in the conserved motif of archael thioredoxin. E. J. Smothers, S. J. Elliott, S. Mitra 773. Alternative DNA staining strategies in agarose gel electrophoresis: Applications in forensic science. A. Nguy, J. O. Boles 774. Analysis and in vitro repair of UV damaged calf thymus DNA. L. L. Berry, S. D. Berry, E. Griffin, N. F. Campbell 775. Analysis of dehydrin genes from fescue. T. Michalewicz, J. Castañeda, R. Laney, J. Brady, H. Rathburn 776. Analysis of fatty acid composition of Centaurea americana, an oilseed species native to Oklahoma. K. Ducker, M. C. Pilkington, J. Andrews, A. Brock, J. O’Gorman, D. Crawford, N. L. Paiva 777. Analysis of osteosarcoma cell growth on alumina, hydroxyapetite, and gelatin nanoscaffolds. M. Georgy, S. Hulford, R. J. Sheaff, D. Teeters 778. Analyzing everyday samples in biochemistry experiments. T. O. Shelly, A. L. Miller 779. Antimicrobial activity from acorn and bitter melon. T-T. V. Pham, T. T. Hoang, A. Hoffman 780. Binary and ternary complexes involving small molecules and carbonyl reductase. M. T. Mayer, H. A. Charlier Jr. 781. Binding of protein allergens to activated charcoal. A. Kim, R. A. Kopper 782. Binding partners for p107 in adipocyte differentiation. T. H. Sanford, T. E. Hayes

Using Social Networking Tools to Teach Chemistry Cosponsored by CINF

H. E. Pence and L. E. Pence, Organizers H. J. Eppley, Presiding 1:30 Introductory Remarks. 1:35 760. FOAF (Friend-of-a-friend): RDFmetadata enhanced social networking in chemistry. H. S. Rzepa, E. L. Willighagen 1:55 761. Learning style theory and course design. R. Cole, M. Towns


783. Bioassays of the repellent properties of essential oils from Monarda species in Oklahoma against Drosophila melanogaster. T. J. Harrison, J. B. Hill, N. L. Paiva 784. Biological construction and analysis of P4a nuclease compared to synthetic construction. L. R. Even Jr., D. Speckhard 785. Biosynthesis and reactivity of a novel antibiotic: Abyssomicin C. C. Stieber, E. Gottardi, R. Süssmuth 786. Buffer and temperature dependence of alkaline phosphatase activation by trifluoroethanol. W. J. Kelly, E. Csuhai 787. C-terminal modification and cell wall association of Cryptococcus neoformans laccase. J. K. Inlow, A. Melberg 788. Cancer cell proliferation in H4IIE rat hepatoma cells expressing a PKC-delta knockdown. J. T. Henderson, M. Ruhoff, D. A. Piefer, D. M. Greene 789. Cardiac Troponin T: A possible shortterm time of death marker. J. D. Murillo, B. Memari, K. G. Furton 790. Cassette mutagenesis via yeast homologous recombination. N. Pirakitikulr, P. Peralta-Yahya, V. W. Cornish 791. Changing nuclear receptor binding from positively to negatively charged ligands. V. E. Cox, D. F. Doyle 792. Characterization of a scfv to non-muscle myosin-II. S. A. Guigui, R. House, N. Dulyaninova, A. Bresnick 793. Characterization of cancer cell death by a novel napthaquionone adduct. M. Lazar, J. C. DiCesare, R. J. Sheaff 794. Characterization of protein folding determinants for LIN-12/Notch-Repeats (LNRs) using human Notch1 LNRB as a model system. S. Madera, D. Vardar-Ulu 795. Characterization of the copper-binding site of NosL of the nitrous oxide reductase system. C. T. Gutman, J. M. Chan 796. Chemical biology approach to protein methyltransferases. A. V. Shneidman, J. Sandler, T. M. Kapoor 797. Chemopreventative effect of phytic acid on the MDA-MB-468 African-American breast carcinoma cell line. T. Wallace, I. Johnson-Mayo, N. L. Powell, R. M. Troy 798. Comparing thermodynamic parameters of RNA duplexes containing natural and non-natural 1x2 nucleotide internal loops. J. Badhwar, S. R. Karri, R. Varade, B. M. Znosko 799. Comparison of oil feedstocks for biodiesel (B100) production: Processing parameters and fuel properties. M. Sampson, J. Dodds, J. Brown, R. Lemus, J. Stephens, R. Workman, M. J. Dabdoub, N. L. Paiva 800. Comparison of the activity of beta glucosidase and poly–phenol oxidase in woody and grassy soils in La Copita, Texas. V. R. Dooling, T. R. Filley, D. E. Stott 801. Conserved proximal residues role in the heme-based oxygen sensor FixL from S. meliloti. M. Weaver, L. Ackley, Z. Lutz, M. F. Reynolds 802. Construction and preliminary characterization of polyhistidine tagged phosphotriesterase. B. Flaherty, A. Romano, J. Furnish, A. M. Slupe, H. A. Charlier Jr. 803. Control of genetic expression of acid phosphatase in maize roots. M. S. Klopfer, J. Dillard, P-Y. Bouthyette 804. Correlation of rates of solvolysis of allyl chloroformate. A. Greenwood, S. Mlynarski, M. J. D’Souza, D. N. Kevill 805. Cranberry juice cocktail and proanthocyanidin effects on Escherichia coli biofilm formation: Inhibition of urinary tract infections. K. Holguin, P. A. Pinzon-Arango, T. A. Camesano 806. Creatine as an antioxidant: Mechanism of the reaction between creatine and hypochlorous acid. K. Brumback, M. Thomas, J. DiCesare, G. H. Purser 807. Creating a chimera: Studying multiple sclerosis through a myelin basic proteinactin fusion protein. J. F. Bruhn, D. H. Juers 808. Critical concentrations of the endocrine disruptor nonylphenol polyethoxylate in marine bivalves. K. J. Leonard, A. J. Doubleday, S. K. O’Shea, D. F. Leavitt


CHED 809. Degradation of growth hormone using pasteurization and digestion. L. M. Echard, M. A. Fisher 810. Dependence of DNA-protein crosslinking on guanine radical protonation state. J-L. Padigus, A. Estonactoc, A. Madison, J. Scala, A. Wayman, E. D. A. Stemp 811. Design and synthesis of ankyrin repeat proteins as scaffolds for molecular recognition. T. K. Rainbolt, D. C. Kelly, D. C. Samples, D. C. Samples, M. M. McManus, J. J. Hollenbeck 812. Detection of quadruplex DNA using lanthanide probes. J. L. Worlinsky, S. Basu 813. Determination of iron in beer and its effects on beer proteins. L. Peterson, D. Whisnant, S. A. Petrich 814. Determination of mutational changes through molecular genotyping. N. L. Klein, J. A. Cramer 815. Development of a PCR assay to genotype aromatase knockout mice. C. Noel, J. L. Bogener, M. R. Gallimore, D. B. Lubahn 816. Development of an aggregation prediction program using instrinsic chemical and structural properties of amino acids. J. Gagnon, C. Retlich, C-C. Chang, J. Schwehm 817. Development of glucose-responsive hydrogels based upon genetically engineered glucose binding protein dimer (GBPd). P. J. Rosado, K. B. Turner, E. Moschou, S. Daunert 818. Differential dynamic response of ATPgrasp domains within carbamoyl phosphate synthetase. S. Hageman, J. L. Johnson 819. Dimer repetitions in nucleosome-binding sequences. S. M. Ansay, F. Xu, W. K. Olson 820. Downregulation of cohesin protein AtSYN3 by RNAi in Arabidopsis thaliana. K. Harris, L. Jiang, M. Xia, C. Makaroff 821. Dual roles of ␥-glutamyl transpeptidase in the cellular response to reactive oxygen species. S. Crum, T. Frielle 822. Effect of a diet varying in astaxanthin concentrations on coloration and accumulation of dermal carotenoids in the false percula anemonefish, Amphiprion ocellaris. L. F. Ho, S. K. O’Shea, H. F. Pomeroy, N. E. Breen, K. G. Jackson 823. Effect of frozen packaging on total phenolic content of strawberries and blackberries. A. C. Zimmerman, J. B. Easter 824. Effect of mismatches on hybridization of PNAs containing universal bases. A. Cooper, M. K. Yarlagadda, S. A. Woski 825. Effect of trifluoroethanol on the structure and activity of calf intestinal alkaline phosphatase. J. L. Schwartz, E. Csuhai 826. Effects of alcohols and ligands on estrogen receptor dimer exchange. M. M. Mumaw, M. E. Brandt 827. Effects of diet and breeding pair quality on fatty acid composition during egg development for the false percula anemonefish (Amphiprion ocellaris). C. A. Houlihan, A. M. Zullo, S. K. O’Shea, N. E. Breen 828. Elucidation of the kinase cascade that induces disassembly of tight junction proteins in diabetic retinopathy. B. Zucconi, R. L. McCann 829. Engineering a steady state FRET assay for the Twort group I ribozyme. C. S. Henes, C. E. Rohlman 830. Engineering cytochrome c peroxidase into a dehaloperoxidase: Production, purification and analysis of the R48A CCP mutant. C. Higgins, A. P. Nigro 831. Engineering cytochrome c peroxidase into a dehaloperoxidase: Production, purification and analysis of the R48A/ W51A CCP mutant. J. Brown, A. P. Nigro


832. Engineering probes to assess synchronization mechanisms in amidotransferasecontaining proteins. C. Benda, G. Scott, J. L. Johnson 833. Engineering the Vibrio harveyi lux gene pathway in plants using the sequence and ligation independent cloning method. T. M. Kaiser, K. S. Miller, B. E. Hudkins 834. Essential fatty acid profiling in early ontogeny of the orchid dottyback, Pseudochromis fridmani, reared on Algamac 2000®. T. L. Arcand, S. K. O’Shea, N. E. Breen, H. F. Pomeroy 835. Examination of the role of perilipin C in cholesterol storage in CHO cells. H. R. Manring, J. A. Shellabarger, J. T. Tansey 836. Examining population variation in black cohosh chemical constituents using mass spectrometry and induction of differentiation on HL-60 cells. C. A. Kucharczyk, J. McKnight, A. Minnick, D. Mortensen, P. Biser, R. S. Fritz 837. Experiment vs. computation: What does nature think of human-designed proteins? E. Repasky, B. Dorr, C. Fortenberry, L. Mizoue, J. Meiler 838. Exploration and development of vitaminD-receptor-related breast cancer research methods. J. Fagan, D. Veselik 839. Expression and purification of class two small heat shock proteins from maize. C. T. Nau, V. B. Pett, H. S. Tims, R. A. Bouchard 840. Expression and purification of myxoma virus leukemia associated protein N-terminal domain. R. Asiamah, D. C. Lawrence 841. Expression and purification of zinc-finger antiviral protein zinc binding domain. I. Antic, D. C. Lawrence 842. Expression of lipid droplet proteins in macrophages. M. L. Hobbs, T. M. Ander, J. T. Tansey 843. Extraction, quantification, and qualification of ribonucleic acid. T. Wilkins, M. Alabady, W. S. Brewton, C. B. Head, C. I. Gonzales 844. Flex-hets demonstrate mixed inhibition of NADH:ubiquinone oxidoreductase in bovine heart muscle sub-mitochondrial particles. W. J. Kelly, D. J. Supeck, C. N. Valdez 845. Fragile X mental retardation protein arginine methylation effects upon specific binding to G quadruplex forming mRNA. J. Wong Chong, T. Evans, M. R. Mihailescu 846. Fragile X mental retardation protein interactions with human semaphorin mRNA. M. Bole, L. Menon, M. R. Mihailescu 847. Free radical-scavenging activity of medicinal plant extracts from several genera. J. Gavillán-Suárez, J. Roque-Peña, H. Márquez 848. Genetics of personality. J. K. Monda, G. Abulwerdi, N. A. Jenkins, N. Porter, Z. Emel, S. Weisenburger, W. T. Potter, R. Sheaff, A. Harkness, J. McNulty 849. Glycolytic inhibition alters the yeast v-ATPase function. S. Charkhzarrin, S. E. Pattison 850. Hepatitis C virus RNA dimerization is mediated by kissing interactions. K. A. Ruszkowski, S. S. Shetty, M. R. Mihailescu 851. High resolution crystal structure of the Phe223Leu mutant of methylenetetrahydrofolate reductase from E. coli. M. K. Thorstad, E. E. Trimmer, J. J. Tanner 852. HPLC analysis of tetrodotoxin production in Notophthalmus viridescens. L. B. Hock, J. N. Richardson, P. Delis, R. L. McCann 853. Human ADAM7 mRNA is expressed in B-cell lineages. J. D. Lingo, M. D. Kelley, L. C. Bridges 854. Human mitochondrial alanyl-tRNA synthetase: Co-evolution for RNA recognition. M. Ener, J. Brown, L. Riley, Y. Zhu, N. Natala, J. W. Chihade 855. Identification of Thermobifida fusca enzymes involved in switchgrass hydrolysis. J. C. DeSantis, D. E. Wolfgang 856. Identification of pathogenic genes in plant pathogen Fusarium verticilloides. N. Pandey, N. Goonesekere, J. Jurgenson, T. Bruns 857. Imaging the osteocalcin binding site on collagen. P. Klemm, A. Lehman, R. V. Prigodich

858. In vitro selection of deoxyribozymes that synthesize 2’,5’-branched nucleic acids. T. P. Mui, S. K. Silverman 859. Inactivation of aspirin by metal ions. R. A. Patterson, E. A. Waddell, S. Schreeves, N. Phambu 860. Inhibition of enzyme cytochrome P450 CYP3A5 via 8-methoxypsoralen. R. F. Holly, J. T. Reilly 861. Inhibition of topoisomerase by a novel napthaquionone adduct. K. Beam, J. C. DiCesare, R. J. Sheaff 862. Inhibition of transcription factor NK-␬B via glucocorticoid receptor interaction. A. Kelner, L-F. Chen, A. Victor 863. Interactions between trypsin and lanthanide ions in aqueous solutions. A. K. Stone, E. A. Waddell, S. Shreeves, N. Phambu 864. Interaction between DNA-damage bypass and cell cycle checkpoint genes. K. A. MacMaster, E. Minca, D. Kowalski 865. Withdrawn. 866. Interference of Hsp90-p23 binding as a possible therapeutic treatment for cancer. V. T. Tran, T. N. Tran, M. V. Tran, C. Miller III, D. E. Wolfgang 867. Intrinsic fluorescence determination of the interaction of luminol with hemoglobin. R. E. Cattoi, D. J. Swartz, M. S. Ward 868. Investigating RNase modification by 1,4-benzoquinone and 1,4-hydroquinone. R. Patton, J. Kim 869. Investigation of Ec YbaK loop function by multisite mutagenesis and FRET analysis. I. M. Taylor, B. R. So, K. Musier-Forsyth 870. Investigation of the biologically active forms of ZmHsp17.0-CII and ZmHsp17.6CII. T. C. Chidawanyika, V. B. Pett, R. A. Bouchard 871. Investigation of the hydration structure of the snow flea antifreeze protein. J. Lauzun, K. R. Gallagher 872. Investigative studies of cognate and noncognate tRNA binding by intact human lysyl tRNA synthetase. S. B. Obafemi, C. Robinson, M. Marei, M. Howell, P. Tsang 873. In vitro oxidation of 7,8-dihydroneopterin. B. C. Schaf, B. Hicks 874. Isolating chromodulin from human urine. K. Bentley, Y. Chen, J. B. Vincent 875. Isolation of gene markers for DNA polymerase alpha subunits from Thermomyces lanuginosa. A. Hovey, A. Al-Sheddi, J. Jurgenson, I. Simet 876. Isolation of lipolytic soil microbes and quantification of lipase-mediated lipid degradation. L. M. Wright, R. Hartmann 877. KDPGal aldolase can function as KDPG aldolase in vivo. A. Rivera López, M. Cheriyan, C. A. Fierke 878. MALDI tissue imaging of embryonic chick heart. J. A. Section, A. Grey, K. Schey 879. Metabolic engineering of Escherichia coli to produce coenzyme M. B. C. Russell, D. D. Clark 880. Methyl-histone binding analysis of the yeast double chromodomain protein Chd1. K. Bugielski, M. Thompson 881. Mining microbial genomics for iron acquisition mechanisms using the lambda red mutagenesis approach. N. K. Novy, M. McMahon, M. G. Thomas, J. Handelsman 882. Molecular mechanics study of fifty fluorinated pharmaceuticals: Comparisons with iodinated and nonfluorinated analogs. B. B. Blackwell, J. Otterson, D. Ruppel, S. Sinclair, D. D. Jackson, M. K. Murphy, J. Sewell 883. Multipodal anion complexation by gramicidin-mimetic cyclic decapeptides: Evaluation by in silico screening. B. J. Shannon, J. R. Cox, R. D. Johnson 884. Optimization of conditions for detection and separation of acidic and basic cyclopeptides by high performance capillary electrophoresis . A. Miller, L. L. Garcia 885. Overexpression of green fluorescence protein fused to cutinase in E. coli. K. J. House, T. Davis, D. M. Stallings 886. P-glycoprotein independent resistance to oxidative stress in leukemia cells. E. T. Clark, J. R. Silverman, J. Seideman, D. A. Scheinberg, J. H. Weisburg 887. Peptide analysis by reversed-phase HPLC. H. Sosa Jr., S. Mnjoyan, A. Gifford, M. A. Steiger, J. A. Palasota

888. pH For the physiological buffer standard ACES from 5 to 55°C in an isotonic saline solution. A. Bwashi, J. T. Wollen, S. M. Hayden, T. C. Ha, L. N. Roy, R. N. Roy 889. Photochemical inhibition of the enzyme histidase via P-UVA therapy. J. T. Reilly, D. A. Vitale 890. Photoexcitation of daunomycin leads to oxidative DNA damage that is dependent on molecular oxygen. R. Kainthla, M. Zewail-Foote 891. Pitzer model for the calculation of the single ion activity coefficient, ␥−Cl for standard buffer solutions of TES, TRICINE, MES, DIPSO, HEPPSO, AMPSO, MOPSO, HEPPS, ACES, and TAPSO at 25 and 37°C. L. N. Roy, R. N. Roy 892. Postprandial effects of green tea, black tea and coffee on biochemical markers relevant to heart disease. S. C. Patel, M. A. Strunk, E. T. Zelinka, J. A. Vinson 893. Preparation of a tethered tripeptide agonist of glucagon-like peptide-1 receptor. S. M. Smith, R. Buglione-Corbett, M. B. Scobee, D. R. Haines 894. Probing the biosynthesis of tautomycetin. L. A. Strittmatter, D. A. Burr, E-S. Kim, D. H. Sherman 895. Probing the effects of certain sugars and polyols in preventing the amyloid aggregation of an amyloid beta peptide derivative using isotopically enhanced ATR-FTIR and congo red microscopy. T. L. Lulloff, J. Gagnon, J. Schwehm 896. Protein binding to activated charcoal. M. Sickbert, R. A. Kopper 897. Protein content in honey bee venom collected through different methods. C. R. Ross, L. Mulfinger, R. Reed 898. Protonation state of histidine 17 in membrane-bound antimicrobial piscidin 1. E. L. Daza, M. Cotten, R. Fu 899. Release of soluble allergenic proteins from peanuts. S. J. Patel, R. A. Kopper 900. Restoring activity to a model chimeric protein: The site-directed mutagenesis approach. M. A. Jordan, D. Speckhard 901. Restriction enzyme inhibition to detect sites of DNA protein cross linking on DNA. J. I. Zelaya 902. Retinoid metabolism in human lymphocyte (RPMI 8866) cell line. R. Grandon, L. C. Bridges, M. D. Kelley 903. Role of ␥-glutamyl transpeptidase in the protective cellular response to reactive oxygen species. S. Zbegner, T. Frielle 904. Role of phosphorylation in degradation of the tumor suppressor p27kip1. S. Kennedy, R. J. Sheaff 905. Role of the PurP enzyme from Sulfolobus solfataricus, Thermococcus kodakarensis, and Archaeoglobus fulgidus in purine biosynthesis. S. L. Strickland, C. A. Sarisky 906. Salivary diagnostics to assess stress responses. N. Jenkins, C. Bryant, J. K. Monda, A. Harkness, R. Sheaff, J. McNulty, W. Potter, R. Agnihotram 907. Screening organic compounds for antimicrobial activity. W. Otero, C. Vassiliou, B. Borhan 908. Seasonal study of SUMO and Ubc9 mRNAs in 13-lined ground squirrel brain and retina. D. M. Eisenschink, T. Rytz, J. Tonne, D. K. Vaughan 909. Self-assembly and stabilization of G-wires using alkyl ammonium cations. K. M. Motz, T. C. Marsh 910. Sequence vs. composition in amyloid␤(25-35). K. A. Hill, K. Ridinger, J. M. Scholtz 911. Sequenced based identification of extremophilic filamentous fungi. S. D. Berry, L. L. Berry, N. F. Campbell, T. Torok 912. Simple model system for DNA protein crosslinks. K. Rebello, E. Khamou, K. Schaefer, A. Madison, E. D. A. Stemp 913. Single ion activity coefficient for pH buffer standard MOPSO from 5 to 55°C using Pitzer model. M. S. Fuge, C. D. Dunseth, S. Ashkenazi, J. Guindon, S. A. McCue, L. N. Roy, R. N. Roy 914. Site directed mutagenesis at the catalytic site of ribonuclease T1. K. Krise, D. Gibbons 915. Site directed mutagenesis studies of LtxC, a reverse prenyltransferase involved in lyngbyatoxin A biosynthesis. M. Elston, L. M. Brown, D. J. Edwards

TECH–31

TECHNICAL PROGRAM

CHED 916. Solid phase synthesis of iodinated DmtD-Ala-Phe-Orn. A. D. Oostendorp, F. Gallazzi, S. Z. Lever, J. R. Lever 917. Solid state nuclear magnetic resonance, a powerful analytical tool for photochemical reactions in zeolites. A. S. Brown, S. M. Baylon, D. Cizmeciyan 918. Solid-state NMR studies of membranebound piscidin 1 and KL-11 antimicrobial peptides. M. M. Taylor, E. D. Gordon, J. J. Ditto, R. Fu, M. Cotten 919. Structural alteration of the tumor suppressor p27kip1 by the SCFSkp2 E3 ubiquitin ligase. A. Hutchins, R. J. Sheaff 920. Structure and function of a novel parasitic argonaute. S. Barik, C. C. Ladner 921. Structure and function of the Dd myosin VII Src homology 3 (SH3) domain. R. D. Fisher, M. A. DeLoia 922. Structure-function studies of ADP glucose pyrophosphorylase from Thermotoga maritima: Role of glgC2 aspartate-244 in catalysis and subunit interaction. R. N. Lippert, M. Matsui, C. R. Meyer 923. Studies toward the synthesis of fluorine labeled etheno compounds as a means of characterizing protein folding. C. C. Stobart, J. M. Vogl, D. J. McLoughlin 924. Study of HEPPSO buffer compound for pH measurements. C. D. Dunseth, M. S. Fuge, C. E. Denton, B. Bwashi, A. B. Sims, J. K. Bjorklund, L. N. Roy, R. N. Roy 925. Studying irreversible inhibition of caspase-3 via halogen substitution of DEVD-XMK. D. M. Deglau, M. A. Fisher 926. Synthesis and characterization of fluorescently labeled ribonucleic acid ribozyme substrates. T. L. Freeman, C. E. Rohlman 927. Synthesis of a new N2S3 pentadentate ligand, and its corresponding Co(III) complex: A structural model of the nitrile hydratase active site. R. Schafer, B. Kail 928. Use of expressed protein ligation (EPL) to probe the role of Arginine 197 in catalysis by Sortase A (SrtA) from Staphylococcus aureus. E. C. Lamb, M. L. Bentley, D. G. McCafferty 929. Synthesis of metabolic pathways using thermodynamic constraints: The astrocyteneuron lactate shuttle in mammalian brain tissue. F. P. Marealle, L. S. McFadden, J. E. Gatica 930. Synthesis of oxygen and nitrogen containing acenaphthene based ligands for lanthanide complexation. R. M. Schubenski, B. Kail 931. Template specificity studies of west nile virus RNA dependent RNA polymerase. B. J. Bursavich, J. S. Temple 932. Testing nucleic acid-based metallo-ßlactamase inhibitors in cultures of Gramnegative bacteria. S. H. Drude, L. M. Perry, R. W. Shaw 933. Testing the variance of factor V R506Q: Applications in biochemistry. H. A. Goodrich Sr., D. Speckhard 934. Transport mechanisms of galactose in Lactobacillus gasseri. J. L. E. Willett 935. Type-2 diabetic drugs influence on retinoid metabolism. J. Brazeal, M. D. Kelley 936. Use of a fluorescent amino acid in GLP-1 binding studies. A. Perez, D. R. Haines 937. Using photodynamic therapy as a method to treat crown gall disease in perennial plants. V. M. Paul, C. E. Stilts 938. Using siRNA to probe p107 function in adipocyte differentiation. M. R. Wainscott, T. E. Hayes 939. Using surface chemistry to understand and control stem cell differentiation. W. Luo, S. R. Jones, M. N. Yousaf 940. Utilizing intrinsic tryptophan fluorescence in the androgen receptor: Characterizing an intermediate in the ligand binding process. M. J. Seaman, M. C. Skeels


32–TECH

Section G Morial Convention Center Hall A Undergraduate Research Poster Session: Physical Chemistry Cosponsored by PHYS and SOCED

N. Bakowski, Organizer 2:00–4:00 941. Absorption properties of porphyrin functionalized single wall carbon nanotubes. A. R. Csengery, R. Selzer 942. Adsorption and decomposition of sarin on zinc oxide surfaces. J. P. Olson, M. J. Dorko 943. Analysis of liquid methanol-d3 by Raman spectroscopy and density functional calculations. T. S. Presley, D. M. Besemann 944. Application of a kink-based path integral formulation to molecular systems. S. L. Wilkinson, R. W. Hall 945. Application of a 2-D particle in a box model to the electronic absorption spectra of polyaromatic hydrocarbons and porphyrin molecules. D. L. Sellers, J. L. Manby, T. S. Kuntzleman 946. Application of clay supported Gemini surfactants in triphase catalysis. N. Shabestary, T. J. Parker, N. H. Parikh 947. Atomistic simulations of carbon dioxide and nitrogen: Adsorption and diffusion in zeolites. D. Selassie, F. Amankona-Diawuo, D. Kohen 948. Calculation of equilibrium self-assembly constant of 2-amidopyrimidine. J. P. Barnett, N. Root, C. S. Mello, N. Schmidt, K. W. Elliott, J. N. Woodford 949. Calculation of van der Waals forces. A. N. Bloom, P. D. Schettler 950. Cancer drug design: Long range communications in cytoskeleton proteins. F. Momin, R. I. Dima 951. Characterization of thin metal film growth on an organic self-assembled-monolayer using current-sensing atomic force microscopy. S. E. Keuleyan, Y. Xing, J. Hines, E. Borguet 952. Charge transfer interactions in complexes formed by carbon60 fullerene and derivatives of calix[4]arene. K. Lukhart, K. Zachary 953. Chemical synthesis induced by dissociative electron attachment. L. Zhu, M. Rajappan, C. Arumainayagam, A. Bass, L. Sanche 954. “Coloring problem” for ␥-brasses: Cu9xAl4+x. R. B. Cink, G. J. Miller 955. Combating nuisance alarms caused by the “ship effect” in helium 3 based neutron detection radiation portal monitors. A. F. Oliveri, E. Buckley, J. Borgardt, R. T. Kouzes, A. Seifert, E. R. Siciliano, L. Windsor 956. Combined ab initio and Monte Carlo study of hydrogen bonding in the crystalline cellulose structure. T. F. Cunningham, R. C. Brown 957. Comparison of NMR analysis to HPLC method following the degradation of creatine monohydrate in various formulations. K. Edwards, J. Inniss, T. Wallner 958. Competition between trans-cis isomerization vs. [2+2] addition in cocrystals of sorbic acid and 1, 1, 6, 6-tetrahexaphenyl-2, 4-diyne-1, 6-diol. O. H. Pham, S-L. Zheng, P. Coppens, M. Gembicky 959. Computation of the pKa values of some neutral molecules and anions in aqueous solution. D. Gao, Y. Cui, E. Pjetri, A. Davalos, E. Chikashvili, J. Lenis 960. Computational analysis of the solubilization of single-walled carbon nanotubes by reversible cyclic peptides. M. C. Maher, C-C. Chiu, G. R. Dieckmann, S. O. Nielsen 961. Computational analysis of the throughbond interactions of electronegative atoms. T. A. Barnes, P. J. MacDougall 962. Computational approaches to investigate hydrogen bonding and base stacking for A-U, G-U, and I-U pairs. P. Thulasi, M. Lewis, B. M. Znosko 963. Computational characterization of LuSb to determine k-space orientation. T. M. J. Beary, Y. Lee, B. Harmon 964. Computational chemistry studies of caprolactam in various solvation environments. K. Aikman, N. E. Breen

965. Computational study of diazonaphthalene conformers. R. L. Klug, R. Burcl 966. Computational study of nitric oxide cation cluster thermodynamics. K. M. McLendon, S. H. Ryan, A. C. Goren 967. Computational study of the counterion and solvent effect on stereoselectivity in SN2 reactions of cyclic nitrile anions. L. N. Morkowchuk, J. D. Madura 968. Computational study of the phenolformaldehyde reaction: Reactive intermediates and transition states with solvation. J. A. Tigner, M. S. Reeves 969. Computational study on the heats of formation of phenylpyrazines. M. A. Thornhill, M. R. Salazar 970. Constructing the phase diagram of water and n-octyl-␤-D-thioglucoside by fluorescence spectroscopy. K. N. Chellis, K. K. Karukstis, G. R. Van Hecke 971. Density functional calculations of lowtemperature CO oxidation on Au(111) and the role of water as a promoter in the reaction. N. S. Froemming, G. Henkelman 972. Determination of the binary phase diagram of n-decyl-␤-D-glucoside in water. A. R. Lee, C. A. Snyder, G. R. Van Hecke, K. K. Karukstis 973. Developing a mathematical model of lipid titrations. B. D. Towey, T. G. Anderson 974. DFT studies of Cu clusters. C. B. Love, L. Wang 975. Dynamical simulations of solutes in nanoconfined acetonitrile. C. Norton, W. H. Thompson 976. Dynamics of small molecules complexed with calixarenes: Toward an understanding of organic solid state porosity. J. R. Cox, A. J. Christiano, C. A. Deakyne, J. E. Adams 977. Effect of capping agent on cyclohexanone hydrogenation using colloidal Pt nanocatalysts. K. A. Manbeck, C. A. Kauffman, J. K. Navin, A. L. Marsh 978. Effect of high concentration collagen type I on matrix induced glioma expansion and migration. C. Gluck, C. Guo, L. J. Kaufman 979. Effects of the porphyrin oxidation state on the conformations of c-type cytochromes. T. L. Vuong, K. L. Mardis, D. M. Tiede 980. EPR study of spin-labels in aqueous inclusions within macrosteps of KHP and phthalic acid single crystals. L. Ryzhkov, P. C. Norris, T. Young 981. Examination of cooperative effects in ␲-stacking. M. L. Renault, G. S. Tschumper 982. Examining the unconventional bonding in borohydrides via valency interaction formulas. B. Vlaisavljevich, J. D. Alia 983. Excess thermodynamic functions of alcohol+n-alkane mixtures using viscometry, dilatometery, refractometry, and laser light scattering. M. Jang, G. R. Van Hecke 984. Fluorescence quenching of pyrromethene 546. A. Hixon, J. M. Brom 985. Guest-host chemistry of p-sulfonatocalix[6]arene with guanadinium containing guests. S. L. Don Talagala, T. W. Shattuck, P. D. Foster, C. L. Newell 986. Heat capacity and spectra of deep eutectic solutions. S. A. Fordham, J. Gryko 987. High resolution photoelectron spectroscopy of Li-pyridazine. A. J. M. Imberi, S. Krasnokutski, D-S. Yang 988. Infrared pump-probe investigation of melanin vibrational relaxations. A. Massari, S. A. Weinreis, A. A. Eigner 989. Investigating single and multicomponent phase coexistence and nucleation properties for some simple models: From charged hard dumbbells to Lennard-Jones mixtures. M. DeLee, L. J. Tauzin, S. J. Keasler, R. B. Nellas, B. Chen 990. Investigating the behavior of catanionic surfactant Langmuir monolayers. J. D. Coppock, B. G. Moore, M. Dennin 991. Investigating the photophysical properties of sunscreen active ingredients. A. C. Rudawsky, S. J. Schmidtke 992. Investigation of cell endocytosis of polyeletrolyte multilayer microcapsules. K. Kavanoor, Z. An, L. J. Kaufman


993. Investigation of dimethyl ether as an initiator in the conversion of methanol to gasoline process using H-ZSM-5. W. M. Aumiller Jr., P. D. Schettler Jr. 994. Investigation of HCFCs through computational and experimental methods. A. L. Steber, R. A. Peebles 995. Investigation of pyrromethene dyes in the presence of quinones by transient absorption spectroscopy. N. C. Brandt, J. M. Brom 996. Investigations of nonequilibrium antifreeze activity of synthetic antifreeze polypeptides. C. N. Henderson, C. A. Knight, A. Wierzbicki 997. Investigations of the photophysical properties of sunscreen active ingredients. R. E. Lipner, B. M. Baughman, S. J. Schmidtke 998. Iodine in clathrate hydrate cages. R. K. Smith, L. B. Lewis 999. Ionic association in varied solvents with different dielectric constants. J. P. Williamson, R. Cole, R. Frech 1000. Luminescent properties of nitrogendonor metal coordination polymers. B. L. Serke, Y-F. Yen 1001. Matrix isolation study of the ozonolysis of cis-2-butene. M. Clay, B. A. Ault, M. Hoops 1002. Measuring the heat of combustion of regular potato chips, reduced fat potato chips and nonfat potato chips using bomb calorimetry. P. Giokas, J. B. Dudek 1003. Metastable fragmentation and photodissociation of sulfur-containing molecular cluster ions. L. A. Erickson, D. A. Hales 1004. Methane to methanol conversion on vanadium and niobium oxide clusters. S. M. Braun, A. D. Arnold, E. D. Glendening 1005. Methane-to-methanol conversion on first-row transition metal oxide cations. W. J. Jackson, T. M. Fromm, E. D. Glendening 1006. Mixed quantum/classical studies of Trypanosoma cruzi’s trans-sialidase. J. M. Swails, Ö. Demir, G. D. M. Seabra, A. E. Roitberg 1007. Modeling acidic water clusters using EFPs. K. R. Brorsen, J. M. Mullin, M. S. Gordon 1008. Modeling the 13C chemical shift tensors of organic single crystals by density field theory. J. C. Johnston, R. J. Iuliucci 1009. Molecular dynamics simulations of surfactant protein C mimic in phospholipid bilayers. W. M. Smith, S. M. Dutz, P. W. Mobley, L. M. Gordon, F. J. Walther, A. J. Waring, S. Sharma 1010. New molecular architectures toward highly efficient platinum doped titanium dioxide photocatalysts. F. A. Leibfarth, R. Koodali 1011. NMR relaxation studies of hydrogen bonding in simple amide compounds. T. E. Muns, N. E. Breen 1012. Noncovalent interactions of azo dyes with anionic surfactant micelles. J. P. Litz, M. Garber, K. K. Karukstis 1013. Nonideality in the binary phase diagrams of homologous 4’-n-alkyl-4-cyanobiphenyls. J. M. Cobb, G. R. Van Hecke 1014. On the heat of formation of nitromethane. P. H. Willoughby, J. A. Bumpus 1015. Oxidation of phenethyl alcohol via triphase catalysis using clay supported Gemini surfactants. N. Shabestary, N. H. Parikh, T. J. Parker 1016. Pd/Cu alumina catalyst for nitrate reduction. S. L. Skiles, J. E. Boyd 1017. Perilous vibrations of tetraazidomethane. J. Hinshaw, L. Speakman, H. Schaefer III 1018. Photoinduced electron transfer across reverse micelle interfaces using anthracene and ferric cyanide. S. Butler, R. E. Riter 1019. Probing new theories of hydrocarbon stability with computational quantum chemistry. J. L. Mackey, C. R. Kemnitz 1020. Probing pH effects on oligomerization of Alzheimer’s amyloid-ß peptide by single-molecule spectroscopy. K. Dukes, C. Rodenberg, R. Lammi 1021. Pyro-electric crystal particle accelerator. C. L. Harris, R. Watson 1022. Reaction kinetics of the oxidation of o-phenylenediamine with ammonium persulfate. E. W. Hobbs, E. G. Hohenstein, J. R. Locker

CHED 1023. Reactions of Cu+(1S, 3D) with CF3X (X=Cl, Br, I). S. R. Musial, W. S. Taylor, M. L. Abrams 1024. Reduced methylated guanidinium radical. E. M. Barbieri, M. Mandziuk 1025. Withdrawn. 1026. Simulating a relaxation mechanism for UV-excited 9H-Adenine. C. E. Schlosberg, H. Hudock, T. J. Martinez 1027. Withdrawn. 1028. Solid-state NMR studies in model coal compounds. C. L. Hoop, R. J. Iuliucci 1029. Spectrophotometric studies of complexes formed by cucurbit[7]uril with organic dyes. A. Turner, K. Zachary 1030. Storage of methane gas in propane hydrate. Y. L. Cazares 1031. Structures and energies of water on graphite surface with functional groups: As seen using Gaussian 98. L. R. Wolfe, J. Samuel 1032. Study of organic dyes used in organic dye sensitized solar cells (DSSC): Application in computational chemistry. J. W. Kreft, S. J. Mo 1033. Study of the disorder to order transitions of disubstituted naphthalenes. S. M. Ryland, K. A. Martin 1034. Studying the 1,5-hydrogen shift in 1,3-pentadiene and 1,7-hydrogen shift in 1,3,5-heptatriene via valency interaction formulas. B. Vlaisavljevich, C-W. Hsu, J. D. Alia 1035. Surface chemistry of benzene, acetylene and ethylene on porous glass. M. D. Graaf, S. R. Coon 1036. Surface tension measurements of alkali halide salts dissolved in ethylene glycol. Y. C. Marrs, M. J. Krisch, S. Baldelli, J. C. Hemminger 1037. Surface-enhanced Raman scattering of p−nitrobenzoic acid on Ag-Au alloy nanoparticle surfaces. E. A. Hiles, R. K. Kaneta, B. D. Gilbert 1038. Surface-enhanced Raman scattering of p-nitrobenzoic acid on Ag-coated Au nanoparticle surfaces. R. K. Kaneta, E. A. Hiles, B. D. Gilbert 1039. Surface-enhanced Raman spectroscopy of p-(dimethyl)amino-cinnamaldehyde on colloidal silver. D. Morgan, B. D. Gilbert 1040. Synthesis of quantum dots and their potential applications in the field of forensic science. K. A. Hoffman, M. D. Schuder 1041. Systematic study of structure and physical properties of smectogenic 2,7diacylfluorenes. C. E. Small, A. A. Pribram-Jones, R. N. Harris, K. A. Dallas, L. Baker, G. R. Van Hecke 1042. Theoretical investigations of C2O4. M. Howart, J. Song 1043. Theoretical investigations of nickel dicarbide. B. L. Yonke, M. Howart, J. Song 1044. Thermal stability of hydrocarbon monolayers on porous silicon. A. N. Simonson Sr., R. S. Cunningham, S. R. Coon 1045. Thermodynamic determinations for Cu2+ binding by amyloid-␤ peptides through mutation studies. T. M. Carducci, W. D. Bush, L. Q. Hatcher, L. Hong, J. D. Simon 1046. Thermodynamic properties of amino acids. A. A. Gadpaille, B. P. Huddle 1047. Use of a Raman microscope to obtain useful SERS signals with colloidal gold. D. J. Hibbard, P. H. Davis 1048. Use of pressure perturbation calorimetry to study the guest-host chemistry of calixarene with guanidinium- and aminecontaining guests. C. L. Newell, T. W. Shattuck, P. D. Foster, S. L. Don Talagala 1049. Using a genetic algorithm to simulate hydrocarbon and hydrosilicon structures. C. Rareshide, K-M. Ho 1050. Using crystal structure analysis to determine the structure of indole-6-carboxylic acid. S. A. Blubaugh, A. J. Long 1051. Using wide-angle X-ray scattering profiles to evaluate the CHARMM forcefield ensembles of common solvents. A. Eastland, H. Sutton, K. L. Mardis, D. M. Tiede

1052. V(CO)7+: A capped octahedral structure completes the 18-electron rule. J. W. Dicke, H. F. Schaefer III, N. J. Stibrich 1053. Vibrational averaging of chemical shielding for self-assembling molecules. K. W. Elliott, J. N. Woodford

Section H Morial Convention Center Hall A Undergraduate Research Poster Session: Environmental Chemistry Cosponsored by ENVR and SOCED

N. Bakowski, Organizer 2:00–4:00 1054. Investigation of photolysis of PCDD/F congeners in soil matrix. R. G. Vidrine, B. Dellinger 1055. Reduction of N-nitrosodimethylamine with nanophase nickel-boron catalysts. C. E. Joseph, A. J. Frierdich, T. J. Strathmann 1056. Small scale production of renewable alternative fuels. P. J. Iles, L. Giddings, R. Valcarce, N. Bastian, S. Seshadri, T. Feagin, M. Hebert, S. Kang, S. Bremmer, M. Arrendondo 1057. Toxicity of toluene exposure in a rat lung epithelial cell line. F. E. Felix-Ukwu 1058. Mercenaria mercenaria as an environmental biomonitor of cadmium pollution. K. McCartin, V. Ortiz, S. K. O’Shea 1059. Accumulation of cadmium in sunflowers from calcium- and zinc-loaded hydroponic solutions. E. G. Frost, J. MacNeil 1060. Activity of pyridinoporphyrazine catalysts in the aerobic oxidation of thiols. R. Risley, P. D. Voegel 1061. Adsorption of heavy metals from wastewater using crab, shrimp and crawfish shells. J. Alexander, B. Bilyeu 1062. ATR-FTIR investigation of molybdenum cycling in the presence of organics. K. Murphy, J. L. Morford 1063. Analysis of enrofloxacin degradation and photoproduct antibacterial activity. J. M. Schroeder, R. A. Lundeen, K. H. Wammer 1064. Analysis of low and high octane gasoline using gas chromatography/mass spectroscopy. F. G. Walker, J. Coffield, M. J. Baird 1065. Analyzing for potential surface water lead contamination around a WWI firing range adjacent to the Greater Plains Elementary School, Oneonta, New York. T. Callnan, J. B. Dudek, D. E. L. Johnson 1066. Analyzing imported toys for possible lead contamination. M. B. R. Lewton, J. Coffield, M. J. Baird 1067. Assessing the Langmuir and singlepoint phosphorus sorption maxima of select mollisol soils. A. Gunlogson, F. V. Schindler 1068. Bacterial community response to increased carbon dioxide levels as a consequence of an underground coal mine fire. C. Baloescu, M. G. Georgieva, S-A. Y. Benjamin, D. C. Edwards 1069. Bartram project. B. Barfield, S. Rowland, D. Wilson, J. H. Owens Jr. 1070. Bioaccumulation of lead in aquatic plants from a natural wetland. S. J. Cardona-González, Y. Vega-Pérez, V. Alicea-Vázquez, A. I. Calderón-Pagán, M. Ramos-Fontán, J. Arbelo-García 1071. Cadmium ion effect in developing zebrafish (Danio rerio). E. H. LeMasters, A. J. Goss, K. S. Warren, S. K. O’Shea 1072. Cobalt catalyzed cyclohexane oxidations. L. S. Davis, J. A. Gunn 1073. Collecting and testing soil samples at the James River. R. J. Mullenberg IV, D. E. Williams


1074. Color optimization of sweet potato bread for improved consumer acceptance. L. Lawrence, A. C. Bovell-Benjamin, P. Gichuhi, C. Hathorn 1075. Conversion of triglyceride to methyl ester in improved process for production of biodiesel. K. M. Strickland, D. L. Wharry Jr. 1076. Copper catalyzed cyclohexane oxidation. L. S. Davis, C. R. Riley 1077. Correlating total and extractable phosphorus for select mollisol soils. N. Schneider, F. V. Schindler 1078. Determination of biodiesel purity through near- and mid-range FTIR spectroscopy. P. M. Knapp, E. Maslowsky Jr. 1079. Determination of pharmaceuticals in biosolids used for cropland soil amendment. A. D. LaMontagna, J. J. Piatt 1080. Dissolved oxygen levels for East Texas streams. J. Treas, M. Buttram 1081. Do fabrics in stuffed toys absorb pesticides and flame retardants from residential homes. A. R. New, R. L. Falconer 1082. Effects of nontarget water constituents on the oxidative treatment of pharmaceutical micropollutants with KMnO4. M. Sugihara, L. Hu, O. Arce-Bulted, T. J. Strathmann 1083. Effects of prescribed burning on the availability of phosphorus levels in grassland soils. J. T. Minah, L. A. Sherman 1084. Effects of prescribed burns on soil nitrogen levels of a coastal plain ultisol grassland restoration. K. M. Stevens, L. A. Sherman 1085. Electrochemical synthesis of ammonia using a recyclable room temperature ionic liquid as an electrolyte solution. K-M. Lee, T. M. Pappenfus 1086. Endocrine disruptors: An analysis of the rates of photooxidative degradation and determination of products. A. M. Curran, K. Z. Munoz, S. K. O’Shea 1087. Environmental photochemical fate of the antibacterials ofloxacin and norfloxacin. A. R. Korte, K. H. Wammer 1088. Evaluating a biodiesel cloud point reduction additive synthesized from waste glycerin. S. C. Jahn, M. L. Fojtik, D. S. Karpovich 1089. Evaluation of effectiveness between two different processes in wastewater treatment. H. Arredondo, C. Shipp, E. E. Gonzalez, A. R. Chaudhuri 1090. Factors influencing bioaccumulation of trace heavy metals by the blue mussel (Mytilus edulis). S. A. Helming, S. K. O’Shea, D. L. Taylor 1091. Fate and transport of PCBs in rural New Hampshire. J. Bergeron, A. B. Waghe, S. Swope 1092. Field monitoring of environmental contaminant lead around New Orleans by a portable instrument. J. Chou, A. Dantin, L. Green, Y. Duan 1093. Green and low-cost hydrogen production from aluminum and water. C. Thibodeaux, D. Smith, N. Phambu, A. Sunda Meya 1094. Ground level survey of radon in a two county area. H. C. Collier, B. D. Palmer 1095. Industrial water and material testing internship. A. C. Himes, J. Teleford 1096. Investigating and comparing the occurrence of alkaloid leaching in Coptis trifolia and Hydrastis canadensis rhizospheres. S. A. Kamath, A. Pai, M. C. Skeels 1097. Investigating high levels of arsenic found in soils around West Anniston, Alabama and their impact on human health. N. Mwebi, D. A. Steffy, A. C. Nichols, B. Delauney 1098. Investigation of lead and arsenic contamination in New Orleans parish school soils. L. Agwaramgbo, J. Smith-Hopkins, A. Hawkins, D. Wilson 1099. Investigation of lead mobility in three Louisiana soils. L. Agwaramgbo, J. Hamilton, D. Wilson 1100. Investigation of the effects of hillslope properties on carbon and nitrogen biogeochemistry in a semi-arid New Mexico ecosystem. M. J. Pullin, M. Tammaro, Y. Echevarría Román, R. D. John, S. D. Scholle, T. L. Kieft 1101. Investigation of the lack of cytochrome P450 1A1 gene expression in paddlefish (Polyodon spathula). B. C. Fitzmorris, D. T. Gundersen, L. Sardinia

1102. Investigation of the photocatalytic properties of a family of calcium bismuth oxides. B. H. Farnum, T. Vogt, S. Park, J. L. Ferry 1103. Isolation and identification of microcystin variants from a south Florida estuary. C. A. Miranda, W. Song, K. O’Shea 1104. LC-MS analysis of biogenic carbonyl compounds using novel derivatization agents. A. A. Volkert, J. E. Boulter 1105. Measuring natural radioactivity in aerosols: Lead-210 and beryllium-7 as tracers for aerosol washout. M. J. Tackett, G. Gunawan, N. A. Marley, J. S. Gaffney 1106. Mechanistic studies on the chemical fate of three N-methyl carbamate pesticides. D. Pitter, C. N. Muhoro 1107. Mercury concentrations in earthworms lumbricus terresteris as related to soil concentrations of the metal. J. Wallach, A. McLaughlin, A. C. Nichols, D. A. Steffy 1108. Metal concentrations in soil, water, and sediment in the Rodeo Lagoon Watershed. K. L. Butler, S. D. Dyer, S. J. Crim, D. Fong, D. C. Edwards 1109. Mobilization and leachability of heavy metals from compost manure. N. Mwebi, J. W. Boydston, M. Dingler 1110. Nutrient and metal contamination in a man-made lake: Effects and implications. K. Thapa, K. Rai, D. C. Edwards 1111. Nutrient levels in Lake Maurepas before and after Hurricane Katrina. K. Silcio, K. Ball, P. D. Voegel 1112. Okra seed oil biodiesel: Investigating underutilized seed oils as potential biofuels. M. R. Austin, R. Z. Havens, I. J. Levy, J. L. Soerensen, D. J. Tshudy 1113. Oxygen and pH levels in Wright Patman Lake. S. Khoury 1114. Permanganate degradation of 1-ethyl-3methylimidazolium tetrafluoroborate: Intermediates and mechanism. J. M. Skeans, C. E. Harris 1115. Photocatalyzed oxidation of alcohols for water purification. D. Huang, P. R. Burkholder, J. C. DiCesare 1116. Photocatalytic enhancement of SODIS bottle. J. M. Carey, L. H. Loetscher, J. E. Boyd 1117. Photocatalytic inactivation of bacteria with titanium dioxide. L. R. Quisenberry, L. H. Loetscher, J. E. Boyd 1118. Photocatalytic system utilizing LEDs for the sterilization of drinking water. L. H. Loetscher, L. R. Quisenberry, J. E. Boyd 1119. Photochemical production of hydrogen peroxide in an Antarctic coastal lake water. K. E. Kirchman, D. P. L. Miller 1120. Photolytic breakdown of trace level pharmaceuticals in the environment. S. A. Kindelberger, J. M. Conley, S. M. Richards, S. J. Symes 1121. Preliminary characterization of environmental estrogens in wastewater effluents. R. L. Scott, K. Tatum-Gibbs, T. Phan, R. L. Thomas, B. L. Wilson 1122. Quantification of heavy metals in liver and heart tissue of harbor seals (Phoca vitulina) from Alaska. K. B. Marino, S. K. O’Shea, D. F. Leavitt 1123. Quantification of volatile fatty acid emissions from California dairy facilities. P. Alanis, M. Sorenson, B. Shamp, A. S. Hasson 1124. Radiocarbon measurements of carbonaceous aerosols from Mexico City in 2003. A. C. MacMillan, K. L. Steelman, N. A. Marley, J. S. Gaffney, T. P. Guilderson 1125. Reaction mechanisms and proof of structure for decontamination of VX, sarin and HD simulants in 1,2-dimethyl-3-propylimidazolium and Cu(II) bis(trifluoromethylsulfonyl)amide. P. J. Cote, D. M. Bird, J. S. Wilkes, J. A. Levisky, A. Hermosillo, P. J. Castle, R. Hutchinson, C. Wamsley 1126. Removal of aqueous phosphate, organic compounds, and organic phosphates using iron oxide produced from abandoned coal mine drainage. S. O. Ochiana, D. Fish 1127. Significance of highly toxic secondary emissions from on-road vehicles. D. Key, M. M. Baum, J. Kilgore, J. A. Moss 1128. Size-segregated measurements of organic compounds in particulate matter in central California. K. Vu, E. Lopez, M. Chung, A. S. Hasson

TECH–33

CHED 1129. Solubility as a mechanism for CSMR effects on lead leaching. B. N. Clark 1130. Sorption of natural organic matter (NOM) onto mineral sands. A. M. Thomas, L. Seders, P. A. Maurice 1131. Stability of palladium nanoparticles under simulated environmental conditions. A. M. Bramson, K. M. Metz, J. A. Pedersen 1132. Structural comparison of two ironbearing clays using infrared spectroscopy. B. R. Bzdek, M. M. McGuire 1133. Sub-ethal effects of atrazine on Japanese medaka fish. J. Theriot, C. B. Rosales, B. B. Rees, M. A. Tarr 1134. Synthesis and characterization of fluorescent polymer chemosensors for the detection of aqueous endocrine disrupting compounds. J. M. Fuller, C. B. Murphy 1135. Environmental fate of lead: Uptake, translocation, and remediation by tomato plants. L. Agwaramgbo, D. Wilson, D. J. Ramirez 1136. Experimental determination of iron(II) oxidation rate constants in natural waters. M. J. Pullin, A. Higdon, E. Osantowski 1137. Role of organics on the adsorption of molybdate onto aluminum oxide. C. M. Carney, J. L. Morford, P. H. Helman, D. S. Kritzer 1138. Time-series evolution of tertiary structures in bacterial biofilms. L. Basilyous, M. M. Baum, P. Webster 1139. Trace element content of leaves from trees growing in an acid mine drainage impacted environment. J. McKillop, R. C. Galloway, P. J. Hardin, M. W. Jackson, M. Bekker, R. R. Jensen, S. S. Brake, S. F. Wolf 1140. Ultraviolet μ-raman analysis of methane sulfonic acid. M. P. Herring, R. E. Barletta 1141. Using gas chromatography/mass spectroscopy to assess pollutant emissions from motorcycles. A. J. Zoelle, J. Coffield, M. J. Baird

Section I Morial Convention Center Hall A Undergraduate Research Poster Session: Inorganic Chemistry Cosponsored by SOCED

N. Bakowski, Organizer 2:00–4:00 1142. Amazing reactions of Re2(CO)10 with diimines in 1-pentanol. T. S. Taylor, D. K. Orsa, G. E. Greco, J. A. Krause, D. M. Ho, S. K. Mandal 1143. Activation of the silk surface to attach cell adhesion molecules. J. M. Latina, J. Schwartz, T. J. Dennes III 1144. Alternative green method for the preparation of 1,1’-diacetylferrocene. M. Gonzalez, K. R. Birdwhistell, B. E. Schulz 1145. Aqueous nitric oxide autoxidation. D. J. Hollman, A. Bhuskute, K. M. Miranda 1146. Biphasic catanionic liposomes. C. J. Pollock, J. S. Kauffman, W. T. Pennington 1147. Catalytic production of cyclic products via a [2+2+2] cycloaddition, mediated by electron-withdrawing organocobalt complexes. S. E. Leshinski, J. Pursel, E. J. Hawrelak 1148. Characterization studies of insulinintercalated zirconium phosphate layered materials. A. David, A. Díaz, J. L. Colón 1149. Withdrawn. 1150. Combinatorial low-pressure chemical vapor deposition of high-k strontium-doped hafnium dioxides. J. W. Hennek, W. L. Gladfelter 1151. Comparison of a series of phenanthrolinequinone thiosemicarbazone compounds. K. Steelman, E. Stoner, E. C. Lisic 1152. Comparison of platinum and palladium heteroleptic complexes with 1,4,7-trithiacyclononane and Group 15 donor ligands. D. A. Biggers, G. J. Grant 1153. Computational and structural investigation of copper dioxygenase model complexes. C. Rowell, J. K. Metzker

34–TECH

TECHNICAL PROGRAM 1154. Coordination chemistry of the palladacycle system ({kappa}2-P(OC6H3-2,4But2)2(OC6H2-2,4-But2))Pd(L)X investigated by 31P NMR. J. W. Clements, B. F. Wicker, N. W. Hoffman 1155. Copper complexes of N–(3–pyridylmethyl) acetamide. M. J. Son, U. Pal Chaudhuri, R. P. Houser 1156. Copper(II) complexes of 6-(benzylamino)purines with 1, 10-phenanthroline. J. D. Houck, A. Klanicová, Z. Trávnicek, P. Baran 1157. Copper(II)-based oxidation catalysts using tethered bis-amino acid ligands. T. J. Kurtz, J. J. Bodwin 1158. Crystal structure of 1,5-diamino-1Htetrazolium 4-methylbenzenesulfonate hemihydrate. C. Montfort, A. E. Marteel-Parrish, D. A. Parrish, J. Bottaro, M. Petrie 1159. Crystal structure of tris(4-acetamidophenoxymethyl) methanol hydrate. K. L. Juromski, A. E. Marteel-Parrish, D. A. Parrish, R. Damavarapu, M. Zang 1160. Dehydration and decarbonylation of sugars in aqueous solution. J. L. Steele, P. M. Smith 1161. Effect of static Nd-Fe-B magnetic field on root growth and nutrient uptake. E. Smith, D. Cook, J. E. Bradshaw 1162. DNA oligonucleotide interaction with [Zn(TPP-PIPOH)]. S. K. Bridges, J. E. Bradshaw 1163. Effects of chain length on functionalized solid particle-stabilized diethoxydimethylsilane in water emulsions. S. M. Simpson, C. J. Campo 1164. Electrochemical oxidation of alcohols using heterobimetallic catalysts. C. J. Sweeney, L. McElwee-White, M. Correia 1165. Electronic structure of lanthanide acac complexes. M. Accetura, B. L. Westcott, N. E. Gruhn 1166. Enthalpy of nickel-aluminum reaction. A. L. Henderson, J. Gryko 1167. Ferrocene derivatives of 1,2-phenylenediamine as electrochemical sensors and extractants for toxic metal ions. N. Salazar, R. J. Alvarado, K. Kavallieratos 1168. Formation and thermal stability of some metastable Dion-Jacobson related doublelayered perovskites. A. T. Hermann, J. B. Wiley 1169. Four new noncentrosymmetric saltinclusion vanadates: (AX)2Mn(VO3)2 (A/X = Rb/Cl, Cs/Cl, Cs/Br) and (CsCl)2Cu(VO3)2. S-J. Hwu, W. Queen, R. Pavlick, J. West 1170. General route to alkanesulfonatesubstituted tungsten halide clusters. C. M. Brown, A. Yu, R. B. Lettan II, A. Ross, K. McClain, D. H. Johnston 1171. Gold-nitrogen chemistry: Trinuclear gold(I) sandwiches. Z. Baranová, J. P. Fackler Jr., A. A. Mohamed 1172. Green chemistry: Environmentally benign synthesis of doped barium titanate. S. M. DeCarlo, A. E. Marteel-Parrish 1173. Green chemistry: Extension of the environmentally benign catecholate method to the synthesis of barium-based perovskites. H. M. Sheridan, A. E. Marteel-Parrish 1174. Heavy alkaline earth metal bis(phenyltrimethylsilyl) amides as MOCVD precursors. F. Konopka, A. Torvisco, K. Ruhlandt-Senge 1175. Heavy metal complexes of 4’-(p-aminophenyl)-2,2’:6’,2”-terpyridine. J. C. Thomas Jr., E. R. Tiekink, J. A. Walmsley 1176. Highly-soluble metallotetraazaporphyrin: Potential optical limiters for use in photodiodes. L. M. Swogger, J. P. Fitzgerald, S. R. Flom, J. S. Shirk


1177. Infrared and Raman spectra of adenine and its metal complexes. H. Mumini, E. A. Waddell, S. Shreeves, N. Phambu 1178. Inorganic/organic particle-stabilized Pickering emulsions. T. S. Ng, C. J. Campo 1179. Insight into metalloenzymes using the synthetic analog approach. C. J. A. Daley, B. P. Abolins, D. T. Titus, J. K. Angelosante, D. L. Tierney 1180. Intercalation of an octanuclear iron pyrazolate using zirconium phosphate layered materials. V. Díaz, I. Chakraborty, A. Díaz, J. L. Colón, R. G. Raptis 1181. Investigation of barium oxide replacement in YBCO type superconductors. L. S. McCage, B. D. Palmer 1182. Investigation of the electronic structure of oxidized metal-salen complexes by X-ray spectroscopy. C. E. Avalos, E. C. Wasinger 1183. Iron-based amorphous alloys. W. Bauer, R. Racicot 1184. Kinetic and mechanistic studies of the reaction of nitrous acid with selected organic substrates. A. S. Johnson, M. L. Schouten, E. Szajna-Fuller, A. Bakac 1185. Kinetic study of an octabrominated gadolinium porphyrin. J. H. Owens Jr., R. Richards 1186. Ligand exchange reactions of FeI(C4F9)(CO)4. D. J. Crouthers, J. D. Lawrence 1187. Ligand substitution reactions inside a copper containing polymer. D. S. Nagasako, J. W. Gohdes 1188. Low cost voltammetry by interfacing a Pine Research cell with MicroLab data acquisition equipment. G. D. Stewart, J. R. Amend, T. S. Kuntzleman 1189. Magnetic frustration in zinc chromate spinel. S. Pulido, B. C. Chan, R. J. Cava, A. P. Ramirez 1190. Metallotetraazoporphyrins as oxygen atom transfer and dioxygen activation catalysts. A. T. Stafford, J. P. Fitzgerald 1191. Microwave synthesis of tunable, uniform rare earth oxide. D. E. Williams, G. P. Glaspell II, J. E. Anderson 1192. Modeling multicopper oxidase active sites using a triazole-substituted 1,3,5triethylbenzene. J. S. Bandar, T. N. Jones, B. J. Johnson 1193. Modeling the structure and function of 3,4-PCD with new amino-alcohol ligands. E. Yoon, M. V. Andrews Jr., C. S. Higham, A. Cetin, C. J. Ziegler, J. R. Farrell 1194. Models of glutathione-vanadium interactions. J. J. Smee, A. Lankford, I. Ortiz 1195. Models of nitrogen/sulfur containing copper enzymes through synthetic bioinorganic chemistry. B. Lee, K. N. Green, D. A. Rockcliffe, M. Y. Darensbourg 1196. New highly emissive state of the Mo6X84+ cluster (X= Cl, Br, I). A. S. Hyme, N. M. Stephens, K. M. Chenault, M. L. Mohler, D. H. Johnston 1197. New soft scorpionate complexes of vanadium. K. J. Robbins, C. D. Abernethy 1198. New synthetic approaches for development of fullerene-transition metal supramolecular systems and molecular wire precursors. C. A. Morris, J. M. Baumann, K. A. Walters 1199. Nickel(II) complexes as functional urease mimics. E. V. Mittelstaedt, A. E. Beilstein 1200. Nickel(II) complexes of a pyridylthioether oxime ligand. H. A. Dao, M. J. Prushan, M. Zeller, A. D. Hunter 1201. NKU developments in fullerene-transition metal supramolecular systems and molecular wire precursors. J. M. Baumann, C. A. Morris, K. A. Walters 1202. Novel method for the synthesis of TiO2 (b) nanoparticles and surface photovoltage spectroscopy of the thin film. M. E. Reish 1203. Novel zirconocene catalysts. S. Chavana, C. Bryan, D. G. McGuire 1204. On the room temperature reaction of N,N’-dimethylpiperazine bisborane with acetone. P. A. Harnos, V. R. Miller 1205. Oxidation of ascorbate by chlorite. L. M. Bonvini, R. O’Brien, J. Barcus, M. A. Curtin, K. Kustin

1206. Oxygen-activating nickel(II) complexes. A. M. Lipchik, C. M. Davis 1207. Ozone as an oxidant for ruthenium and chromium complexes. R. W. Buell, R. G. Baughman, J. McCormick 1208. Phase behavior of choline halide/ phenylacetic acid mixtures. A. M. Fry, J. R. Rush 1209. Phosphinomethylamines, synthesis of a simple hydrogenase mimic. S. A. Heston, M. L. Helm 1210. Platinum thiacrown complexes with substituted diimine ligands. M. Bajic, G. J. Grant 1211. Probing electron-transfer pathways in cytochrome c. T. Atanassova, J. S. Magyar 1212. Progress toward self-assembled platinum molecular squares. R. D. Naik, G. J. Grant 1213. Protonation of transition metal substituted heteropoly tungstates in protic and aprotic media. B. T. Tyler, M. Makar, T. J. Dobmeier, J. Arcadi, M. Kozik, S. H. Szczepankiewicz 1214. Pyridine-bis-amide complexes of copper(II) as oxidation catalysts. K. P. Schultze, J. J. Bodwin 1215. Reaction of high-valent vanadium complexes with O3 in aqueous solution. R. D. Bethel, R. G. Baughman, J. McCormick 1216. Reactivity of cis and trans rhodium(III) triflates. L. Roecker, M. Langston 1217. Reactivity of reduced transition metal substituted heteropoly tungstates toward carbon dioxide in nonpolar solvents. M. Makar, B. T. Tyler, T. J. Dobmeier, J. Arcadi, J. Velarde, M. Kozik, S. H. Szczepankiewicz 1218. Reactivity of the Re(CO)3+ core with monodentate aliphatic and aromatic amines and thioethers in aqueous solution. B. R. Franklin, N. V. Barone, A. Cetin, C. J. Ziegler, R. S. Herrick 1219. Redox and acid-base effects in the oxo-bridged trinuclear ruthenium isobutyrate system. J. M. Schlough, L. E. Pence 1220. Scope of arene perfluroalkylation using iron reagents. S. D. Timpa, M. P. Clark, B. W. Larson, J. D. Lawrence 1221. Soft scorpionates as coligands to support new vanadium nitride complexes. M. L. Croteau, J. H. Kant, C. D. Abernethy 1222. Speciation and equilibrium of malic acid and citramalic acid with aluminum. Y. Z. Hamada, M. Harris 1223. Spectroscopic properties of hydrogenbonded ruthenium and osmium complexes. A. Baba, J. Ellerbrock, A. Gilpin 1224. Spectroscopic studies of citrulline and its metal complexes in aqueous solutions. F. M. Magnaterra, E. A. Waddell, S. Shreeves, A. Sunda Meya, N. Phambu 1225. Structural properties of selected lanthanide mixed ligand complexes. V. L. Schutz, K. S. Harris, C. S. Wilson, J. D. Duck, V. Chauhan, H. T. Christy, C. M. Strout, M. Sokoya, J. A. Myers, B. L. Scott, R. A. Zehnder 1226. Studies on the H270G cavity mutant of KatG. J. L. Holimon Jr., R. A. Ghiladi 1227. Study of hypervalency using Ge-73 NMR spectroscopy. T. M. Agee, C. H. Yoder 1228. Syntheses and structural characterization of quaternary lanthanide thiogallates. P. M. Vogel, R. K. Burt, B. A. Maynard, R. E. Sykora 1229. Syntheses and structural characterizations of novel lanthanide thiogallates. R. K. Burt, P. M. Vogel, B. A. Maynard, R. E. Sykora 1230. Syntheses and structural determinations of lanthanide tetracyanoplatinates. B. A. Maynard, A. Jaleel, K. Whitehead, Z. Assefa, R. E. Sykora 1231. Syntheses of novel starburst organoplatinum (II) complexes. C. J. Nestor, J. K. Vohs 1232. Synthesis and analysis of cuprous phenanthroline complexes. M. Burak, L. E. Pence


CHED 1233. Synthesis and analysis of [Re(CO)3(H2O)3]PF6 and new rhenium tricarbonyl tripodal complexes. L. R. Condon, B. R. Franklin, N. V. Barone, A. Cetin, S. L. Robenstine, D. L. Jameson, C. J. Ziegler, R. S. Herrick 1234. Synthesis and base hydrolyis of cobalt(III) complexes coordinated by phenylthioethers. L. Roecker, A. Cohn, T. Cox 1235. Synthesis and characterization of 2,3disubstituted-1,3-thiazolidin-4-one adducts of iron (III) POSS complexes. M. T. Hay, M. Kishiki 1236. Synthesis and characterization of bisamine boron cations from amine-boranes and N,N-dimethylglycine ethyl ester. K. A. Fletcher, V. R. Miller 1237. Synthesis and characterization of carbonated calcium and lead apatites. M. P. Sternlieb, C. H. Yoder 1238. Synthesis and characterization of chiral platinum double salt materials containing terpyridine ligands: Part 1. R. J. Martinez, M. Cich, S. M. Drew, I. M. Hill, Y. Takeshita, A. J. Young, A. D. Lackner, K. R. Mann, C. E. Buss, J. R. Burney 1239. Synthesis and characterization of chiral platinum double salt materials containing terpyridine ligands: Part 2. M. J. Cich, R. J. Martinez, Y. Takeshita, S. M. Drew, I. M. Hill, A. J. Young, A. D. Lackner, K. R. Mann, C. E. Buss, J. R. Burney 1240. Synthesis and characterization of copper tris-phenanthroline complexes with ligand substituents at the 5- and 6-positions. L. Pelikhova, L. E. Pence 1241. Synthesis and characterization of new chromone thiosemicarbazone compounds. E. Stoner, R. C. Huxford, E. C. Lisic 1242. Synthesis and characterization of heterocyclic dicarbonyl pigments. S. Khatirinejad-fard, M. Mohammad Khanloo 1243. Synthesis and characterization of novel oligomeric host systems and their complexation abilities. A. Sanders, K. Houser, M. A. Harris 1244. Synthesis and characterization of NQSA thiosemicarbazone compounds. K. Monteen, M. Monteen, E. C. Lisic 1245. Synthesis and characterization of terpyridines and pyridine, pyrrole and anisole containing calixarenes. M. Tincher, A. Gebauer 1246. Synthesis and intercalation of functionalized fullerenes into inorganic layered materials for drug delivery applications. S. Negretti, M. Martinez, A. Medina, A. Díaz, J. L. Colón 1247. Synthesis of copper(I) complexes with NS2-cyclodecane ligands bearing phenyl and 2-naphthyl pendant aryl groups in quest of copper(I)-arene complexes. R. R. Conry, C. G. Balesdent, C. Owens, M. Kim 1248. Synthesis of crown ether functionalized metal salicylideneimine complexes for the design of new metal polymers. T. S. Bush, K. Mattaini, K. Skaar, J. D. Pike 1249. Synthesis of inorganic/organic cationic 2-D materials for anion exchange. Y. Abdollahian, S. R. J. Oliver, D. L. Rogow, C. H. Swanson, X. Fan, A. G. Oliver 1250. Synthesis of ionic liquids containing single-molecule magnets. M. L. Smith, C. M. Zaleski 1251. Synthesis of lead tris-(2-pyridylmethyl) amine compounds with halides. M. K. Thorstad, R. Baughman, J. McCormick 1252. Synthesis of metal cyclen complexes and their reactivity with monosaccharides. L. T. McDonald, S. C. Haefner 1253. Synthesis of new amino-thiophenol complexes. B. W. Bergeron, J. R. Farrell 1254. Synthesis of redox-labeled atrazine conjugates for an electrochemical immunoassay. K. Sakyi, A. E. Beilstein


1255. Synthesis of semicarbazide-cyanoborane in ionic liquids. A. L. Goraczkowski, J. N. Smith, G. M. Edvenson 1256. Synthesis of single-molecule magnets using alpha-amino acids and transition metals. B. M. Klahr, C. M. Zaleski 1257. Synthesis of titanium-crown ether complexes. D. A. Wasmund, B. J. Sparks, D. M. Brown 1258. Synthesis, characterization, and in vitro evaluation of a potentially selective anticancer, mixed-metal [ruthenium(III)-platinum(II)] trinuclear complex. A. Herman, C. M. Anderson, J. M. Tanski, M. Tibbetts 1259. Synthesis, characterization, and reactivity of a rhodium bimetallic complex. S. Enabnit, R. M. Chin 1260. Synthesis, NMR, and X-ray crystallography of substituted tetraphenylgermanes. C. D. Schaeffer Jr., A. S. DeToma, A. J. Fleisher, A. R. Pagano, C. H. Yoder, B. A. Buckwalter, T. M. Agee, A. L. Rheingold 1261. Synthetic approach to “frustrated Lewis pairs” on a benzene framework in organic hydrogen activation. E. Urnezius, A. D. Spaeth 1262. System: HBr + PrBr3 + H2O at 5-55°C. J. A. Larbey, M. C. Tuhey, L. N. Roy, R. N. Roy 1263. Thiosemicarbazone and diimine complexes of transition metals: Synthesis and reactivity toward DNA. F. A. Beckford, R. W. Frank 1264. Time-resolved FTIR measurements of the thermally activated decay of metastable states I and II in Sodium Nitroprusside. M. R. Tarasek, P. M. Seidler, M. M. Cetin, K. A. Bagley 1265. Toward new materials: Inclusion of phosphorus in thioantimonate frameworks via solvothermal methods. B. T. Michalsen, J. A. Cody 1266. Toward the synthesis of new nickel thiophosphates in ionic liquids. A. S. Constantinescu, J. A. Cody 1267. Toward the synthesis of new zinc thiophosphate compounds in ionic liquids. J. E. Brown, J. A. Cody 1268. Trans-P,P’-diphenyl-1,4-diphosphacyclohexane (dpdpc), a rigid cyclic diphosphine: The crystal structure of [Cp*RhCl(dpdpc)]PF6. J. E. Sussman, M. L. Helm 1269. Understanding solvent displacement mechanisms at sulfur. S. Mlynarski, L. Yaakoubd, M. J. D’Souza, D. N. Kevill 1270. Using the bulky phosphite P(OC6H32,4-But2)3 to determine relative affinities of weakly coordinating neutral ligands for (␩6-cymene)RuX2 (X=Cl,Br,I) via 31P NMR spectroscopy. A. G. Harris, J. W. Clements, B. F. Wicker, J. T. Wiggins, J. LeBlanc, N. W. Hoffman 1271. Using tridentate nitrogen-oxygen donor ligands to explore the oxidation of organic substrates by copper(II) catalysts. B. C. Haight, J. J. Bodwin 1272. What products are formed when cobalt(III) complexes coordinated by thioethers react in base. L. Roecker, C. Park

Section J Morial Convention Center Hall A Undergraduate Research Poster Session: Medicinal Chemistry Cosponsored by MEDI and SOCED

N. Bakowski, Organizer 2:00–4:00 1273. Apoptotic pathway induction in N1S1 cells by benzamide riboside. L. S. Lazarre, G. McLennan 1274. Decreased diffusional transport of ketotifen fumarate in templated hydrogels. S. Pass, J. Saha, M. E. Byrne 1275. Effects of lateralized inactivation of the amygdala on neuropathic pain. G. D. Hills, D. Hubbard 1276. GC-MS analysis of chemical compounds in medicinal plants possessing antifungal properties. J. E. Gomez, E. E. Gonzalez, A. R. Chaudhuri 1277. Gravitational effects on the human immune system. L. M. Walters

1278. Stability of norepinephrine in normal saline solution. P. J. Iles, L. Giddings, R. Valcarce, N. Bastian, S. Seshadri, M. Hebert, C. Hebert, S. Kang, S. Bremmer, T. Feagin, M. Arrendondo 1279. Development of sustained-release polymer matrices of benzathine penicillin for intramuscular injectibles. M. Molyneux, M. M. Baum, T. J. Smith 1280. Analysis of SAR patterns observed within a series of common consumer drugs. F. Koyoshi, L. M. Everett, M. J. D’Souza 1281. Antibacterial and antioxidant activities of Hypericum species growing in Pennsylvania. L. T. Rush, A. A. Zelinsky, G. E. Henry 1282. Antibacterial compounds from Hypericum mutilum. A. A. Zelinsky, M. S. Campbell, G. E. Henry 1283. Antibacterial natural products from Hypericum densiflorum. M. S. Campbell, A. A. Zelinsky, G. E. Henry 1284. Antimalarial activity of aryl-substituted 2-ethoxyacetamides. J. W. Major, C. E. Gutteridge, A. K. Bhattacharjee 1285. Arginine in Na-montmorillonite interlayers: Theoretical adsorption calculations. A. J. Rennig, A. K. Slutter, G. Joanis, A. M. Davis, L. Tribe 1286. Aspergillus fumigatus proteins bound by a germination-inhibitory monoclonal antibody. A. Atlas, J. W. McCarthy, M. Feldmesser 1287. Characterization of gangliosides from brain tissue. M. E. Bugel, H. M. Boylan, P. K. Mandal 1288. Comparative toxicity and melanin stimulating activity of Heracleum maximum and Psoralea corylifolia. P. Dhar, M. Morrow, I. Gembitsky 1289. Comparison of QSAR and docking studies of histone deacetylase inhibitors. N. R. Villanueva, J. A. Morrill 1290. Determining the reactive properties of GLP-1. L. W. Marinelli, K. A. Lipford, T. N. Lenton, D. R. Haines 1291. Determining the stabilization properties of tubulin binding agents based on molecular modeling. K. Chastain, T. Alloway, M. Gourley 1292. Docking studies with the CYP2E1 active site and pyrazole derivatives. D. Judkins, R. M. Laddusaw, M. D. Perry Jr., G. P. Miller 1293. Effects of ethanol on the development of the cytoarchitectural structure of the cerebellar cortex of rat pups. B. Farmer, K. E. Light, D. Pierce 1294. Effects of therapeutic touch on renaturation of ribonuclease A. M. L. Strickland, H. M. Boylan 1295. EPR studies of erythrocyte membrane of hypertensive and normotensive rats: Effects of antioxidants. D. Dalhouse, J. Rolfs, A. Pezeshk, M. Floer, K. Brandvold 1296. Erythrocyte membrane studies of hypertensive and normotensive rats: Effects of 9-hydroxy xanthene. D. Dalhouse, A. Pezeshk, M. Lindsay, J. Rolfs, K. Brandvold 1297. Geographic variation of the isoquinoline alkaloids in Coptis trifolia. M. Muchimuti, A. Pai, M. C. Skeels 1298. Gold mediated cellular delivery of anticancer drugs. C. Criss, A. Das, S. Basu 1299. Health, wellness and chemistry: Vitamin D. J. Todd, P. Di Raddo 1300. HIV Integrase and c-Kit: Ligand design and docking protocols. S. Johnson, J. Sanders, E. F. Healy 1301. Identification of nutritional components and small organic molecules in nopalitos cacti, a homeopathic remedy for type II diabetes. J. M. Davis, J. Guevara, L. Lazaro, M. Olivares, D. Olivares 1302. Identifying bisphosphonate inhibitors for geranylgeranyl diphosphate synthase. J. C. Axelson, A. Kumar, R. Cao, F. Yin, Y. Zhang, E. Oldfield 1303. Imidazole-4,5-dicarboxylic acid libraries: Anilines and amino acid ester substituents. R. Johnston, J. C. DiCesare, P. W. Baures

1304. Insulin crystalization and structure determination. E. I. Oyegun, J. T. Swindell II, Q. Florence 1305. Investigation of the effect that different drying methods have on the mechanism of acetaminophen release from microcrystalline cellulose beads. F. C. Mayville Jr., T. LaGasse, B. N. Fucci 1306. Investigation of the effect that different drying methods have on the mechanism of theophylline release from microcrystalline cellulose beads. F. C. Mayville Jr., K. E. Wagner, S. Smalley 1307. Kinetic analysis of inhibitors of reverse transcriptases from HIV-1, MMLV, and AMV. T. Lin, M. B. Doughty 1308. Lipid-lowering pyrrole derivatives and their biological effects. K. S. Brown, D. Nimer, S. Song, B. S. Burnham 1309. Liposolubles extracts of red algae Spyridia filamentosa and Spyridia hypnoides. A. Y. González, C. B. Ramos, M. Buttler, J. Ramos, E. Rodriguez 1310. Modification of a natural collagen matrix with chemokines to study leukocyte trafficking in vitro. A. J. Ross, L. Jia, E. S. Gawalt, W. S. Meng 1311. Optimization of imidazole-4,5-dicarboxylic acid libraries from anilines and alkanamines. K. Lawson, J. C. DiCesare, P. W. Baures 1312. Oxygen dissociation from red blood cells in a perfluorocarbon solution. A. J. Hayek, D. J. Oostendorp, D. Speckhard 1313. Pyridine derivatives as potential cytochrome P450 inhibitors. J. A. Ellis, M. Foroozesh 1314. QSAR of microtubule stabilizing dictyostatins. K. L. Montgomery, B. W. Day 1315. Quantitative structure-activity relationship (QSAR) study of the N-terminal histidine of GLP-1. T. N. Lenton, D. R. Haines 1316. Spectroscopic characterization of over the counter medication. T. Buthelezi, M. J. Perry, S. Salkic 1317. Synthesis and antimicrobial testing of skeletally altered alpha pinene derivatives. P. Dhar, D. T. Cohen, S. Gibbons, C. Colon 1318. Synthesis and biological evaluation of 3-alkylaryl-3-arylmethoxytropane derivatives at serotonin transporters. M. E. Dipalma, S. Izenwasser, M. L. Trudell 1319. Synthesis of a new family of flavonoids as potential cytochrome P450 1A2 inhibitors. J. Monroe, M. Foroozesh 1320. Synthesis of a novel isatin-based hydroxamic acid histone deacetylase inhibitor. S. M. Held, J. A. Morrill 1321. Synthesis of compounds similar to diapocynin, a lead compound. A. J. Boorem, R. Smith 1322. Synthesis of n-cyanoguanidine analogs of known VR1 ligands and bioassay in transgenic nematodes. A. D. Chapp, L. G. French, K. L. Hamilton, A. Y. Estevez 1323. Synthesis of novel halogen substituted aurones as potential anticancer agents. K. F. Dunn, G. H. Denmark, C. J. Mills 1324. Synthesis of novel variations of n-methyl-5H-benzocycloheptanaphthaleneimines. K. Kalstabakken, J. C. DiCesare 1325. The use of equilibrium dialysis to determine the partition ratios between intravenous lipid suspensions and chemical agents in different environments. C. J. Borchardt, J. S. Wilkes, J. A. Levisky, C. A. Corley, R. Hutchinson, D. J. Kopacz 1326. Thermodynamic studies of the chelation of mercuric ions by amino acids and derivatives. P. Healy, W. Gilbert, M. Ngu-Schwemlein 1327. Utilization of triazine scaffolds as potential caspase inhibitors related to Q-VDOPH. P. Seymour, W. Grunwald Jr., K. Kulkarni, D. R. Cool, T. L. Brown, D. M. Ketcha 1328. Zn(II)-metalloproteins as additional target for the dna-binding anticancer antibiotics, mithramycin and chromomycin A3. P. G. Devi, D. Dasgupta 1329. Taguchi method optimization study of a branched chiral selector adsorbent. S. A. Henrie, K. A. Willis, S. A. Conway

TECH–35

CHED 1330. Development of a mouse ESC embedded SIS sheet for the repair of an infarcted heart. R. D. Pollard, D. Simpson, J. Allen, S. C. Dudley


J. M. Smist, Organizer, Presiding 8:00–10:00 7, 21, 75, 77, 80-82, 84-85, 87-88, 90-91, 94, 96, 99-102, 105, 107, 109-110, 112, 115, 118, 122, 124-129, 131-134, 136-137, 141, 144-145, 147-150, 179, 181, 733, 767. See previous listings. 1460, 1471, 1510, 1529, 1534, 1539, 1553, 1557, 1579-1580, 1596-1598, 1602, 1605, 1607, 1612, 1615, 1624. See subsequent listings.

Section B Morial Convention Center Hall A Successful Student Affiliates Chapters Cosponsored by SOCED

N. Bakowski, Organizer 8:00–10:00 1331. Help build chemistry’s future by exploring the world today. N. M. Paraszczuk, P. Kerrigan 1332. 2007-2008 University of Northern Colorado American Chemical Society Student Affiliates: Our activities, accomplishments, and involvement. C. D. Badger, B. Writer 1333. 59th Southeast Regional Meeting of the ACS. C. J. Pollock, A. E. Dennis, R. J. Gilliard, J. Hodges, J. Kaup 1334. ACS-SA’s UPR-Arecibo goes green. S. J. Cardona-Gonzalez, D. Concepción-Cardona, A. Y. González-Torres, S-L. Meletich-Sepúlveda, Y. Vega-Pérez, V. Montalvo, I. Fernández 1335. Activities of the Drury University Student Affiliate ACS Chapter 2007-08. K. Rastogi, A. Mettman, M. Kabonic, H. Sims, S. Petrich 1336. Activities of the Texarkana College Chemistry Club: A successful SAACS. M. Vera, P. Harman 1337. Advancing chemistry education through community involvement. J. W. Revels, J. Massing 1338. Art and culture of science: Unique routes for college recruitment. J. Murillo, R. Alexandre, C. Jeannot, D. Dickson, A. Castillo, L. Valientes, K. Sebekos, A. Gonzalez, A. Juman, A. Hussain, M. Amicarelli, D. Macadar, J. Lopez, L. Revoredo, M. Delgado, M. Exposito 1339. Barry Chemistry Club/Student Affiliates: A catalyst for professionalism and scholarship in chemistry. A. Soprani, E. Burch, Y. Cruz, I. Pazos, R. Wheeler, G. Fisher 1340. Bike day: A successful encouragement of environmental awareness. D. G. Watson, A. M. Mildren 1341. Building connections through a chemistry mentorship program at Carroll College. S. L. Gates, A. D. LaMontagna, M. D. Schuder 1342. Catawba college SAACS demonstrates the magic of chemistry and the chemistry behind magic. A. B. Bailey, M. H. Black, P. C. Norris, S. Ciborowski, J. W. Honeycutt, M. S. Sabo, C. A. Miderski, J. Beard 1343. Central Michigan University SAACS exemplifies what it means to be a successful chapter. R. A. Young, J. M. Stage 1344. Chemistry at a glance: Behind the goggles at RWU. C. B. Meleney, S. C. Laustsen


36–TECH

TECHNICAL PROGRAM 1345. Chemistry matters at Washington College. H. M. Sheridan, S. M. DeCarlo, C. Crum, A. Starks, K. Daudelin, C. Chilton, A. E. Marteel-Parrish, R. Locker 1346. Chemistry outreach efforts at North Dakota State University. A. Baskerville, A. Mikkelsen 1347. Chemistry, community, and service at Wilkes University and beyond. K. L. Green, E. Serembus, B. Beaver, L. Macri, D. E. Mencer 1348. ChEmory: Emory University’s chemistry outreach program. S. Ali, T. Sangha 1349. Withdrawn. 1350. Chi Epsilon Mu: Great things happen when the chemistry’s right. P. A. Maizan, K. L. Anderson, C. Brennan 1351. Clean chemistry = successful fundraising. S. Przysiecki, M. Lahr, C. Janowski, S. M. Young 1352. Colorado chemistry students serve the community. E. Koehler, M. Beal, C. West, M. Zendig, S. M. Schelble 1353. Combining professional activities with service opportunities in Western Kentucky University Student Affiliates chapter. T. Weber, R. Baumgardner, J. A. Vervynckt, L. L. Pesterfield, R. Zhang 1354. Community service of the ACS-Student Affiliates chapter at the University of Puerto Rico, Río Piedras Campus. A. Pizarro, S. M. Delgado, G. J. Reyes, I. Perez, M. Rivera, S. de la Torre, I. Montes 1355. Demos in the dark: A continuously successful NCW event. J. L. Lapierre, D. G. Watson 1356. Discovering the many faces of chemistry through chemistry club. G. W. Britton, Y. Z. Snyder, J. Hartshorne, P. Y. Furlan 1357. Duquesne University Student Affiliates: Promoting science outreach in the community. L. M. Matosziuk, M. Bole, N. Petkovich, L. Slomka 1358. Eastern Oregon University SAACS: Building leadership and strengthening partnerships. T. Holcomb, T. L. Boethin, K. W. Elliott, D. S. Kelley, A. G. Cavinato 1359. Effectively planning an undergraduate and student affiliate program for a regional ACS meeting. L. Thompson, T. M. Green, A. C. MacMillan, A. S. Marshall, C. A. Sutton, K. L. Steelman, K. W. Felling 1360. Efficient methods of increasing the student affiliate awareness through effective social and educational events combined with productive fundraising. G. Rodriguez, S. Boulos, N. Salazar, J. A. Restrepo, M. A. Perez, Y. Delgado, D. Pinaha, C. Meneses, N. Membreno 1361. Expanding student participation in chapter activities at the University of Central Oklahoma. J. M. Henderson, J. M. Ferguson, D. G. New 1362. Exploring ACS-SAC-UPR-Aguadilla’s universe: Chemistry behind the natural science world. E. Jimenez-Gonzalez, E. Morenu-Villarrubia, A. Méndez-Ruiz, B. J. Ramos-Santana 1363. From San Germán, P.R.: “Chem crew” unlimited. J. Lisboa, A. L. Vega, L. García, C. M. González, D. Faría, E. Cordero, J. Lugo, S. Sepúlveda, C. Ramírez, R. Ramírez, N. Caraballo, A. Vélez, A. M. González 1364. Frostburg State University chapter of the Student Affiliates of the American Chemical Society presents its achievements. C. A. Kucharczyk, B. J. Becker, D. Weser 1365. Fundraising methods at North Dakota State University. C. Larsen, C. Engelhart, S. C. Rasmussen 1366. GCSU Chemistry Club. B. Barfield, S. Rowland, D. Wilson, K. Harper, M-L. Louis, C. H. Lisse 1367. GCSU’s chemistry construction: The many faces of chemistry. B. Barfield, L. M. Peaden, J. H. Owens Jr., T. Shoham, C. H. Lisse 1368. Going green in west Texas: Green chemistry activities at Angelo State University. C. A. Cozby, K. Boudreaux 1369. Green chemistry 101 for the community. C. R. Lowe, M. N. Malin, R. H. Mitchell, S. K. Airee 1370. Green sheet: Campus-wide literature to spread environmental awareness. Z. A. Radwan, D. G. Watson

1371. Human welfare through science in the community at Seton Hill. C. S. Pasipanki, A. C. Himes, N. L. Klein 1372. If you explode it, they will come. T. M. J. Beary, V. Collins, N. Dean, B. Medrano, K. Rodzinyak, K. Scherrer, E. Witek, C. M. Teague 1373. Igniting the spark: Creating an elementary interest in chemistry. H. Romo, F. Garcia, K. Sanchez 1374. Innovative fundraising. J. Holt, L. Brough 1375. Inspire through fire: W&J SAACS sparks up the community. C. L. Hoop, K. R. Lloyd, G. A. Ratti, N. J. Graf, N. Matsuno 1376. Leadership for the future: Xavier University of Louisiana SAACS. T. Walford, J. A. Ellis, A. Carmouche, S. Johnson, O. Otubusin, B. Malone, A. Walls, B. Gallerson 1377. Lets get physical. C. L. May, P. A. Chernovitz 1378. Longwood University chemistry club goes green. S. E. Jenkins, R. E. Farmer, L. D. Riddle, B. M. Prentice, N. K. Porterfield, J. A. Mann, C. H. Swandby, S. E. G. Porter, M. C. Rhoten 1379. Loras College student chapter activities summary: The year in review. B. C. Tlach, B. S. True, D. J. Gotz, M. A. Jordan, L. R. Even Jr., D. J. Oostendorp, D. Speckhard 1380. LSU Student Affiliates impact nationwide youth interest in chemistry. A. M. Hamideh, R. G. Vidrine, L. V. Brown, M. J. DeLee 1381. Many faces of the Tarleton State University Chemistry Club. E. Martinez, C. M. Dodds, L. B. Rogers, C. M. Anderson, T. M. Figg, C. E. Terrel 1382. Miami University: A successful SAACS chapter. K. Harris, C. Turney, C. Hajdin, C. Chan, I. Budik, A. Herrick, J. Sarquis 1383. Millersville University ACS Student Affiliates chapter. R. L. Butt, H. T. VanOrmer, R. T. Dao, E. Almodovar, M. J. Tomlinson IV 1384. MSUM Chem Club: A commitment to our campus and community. A. J. Haak, A. B. Marasinghe, J. Provost 1385. MTSU SAACS activities 2008: The quest for the holy scale. K. J. Stanislav, T. A. Barnes, K. A. Barber, R. Teasley, C. Boller, G. D. White, A. C. Friedli 1386. Nanoday in New York: The Barnard Chemical Society. T. Atanassova, D. Napolitano, J. T. Yardley, J. S. Alexander 1387. National Chemistry Week 2007 in Mayaguez, Puerto Rico. A. Hernández, L. N. Ruiz, E. Martínez, J. Díaz, F. Barrios, G. Gratacós, M. Pagán, N. M. Rivera, S. M. Delgado 1388. National Chemistry Week activity: The face of chemical education. A. Serrano, F. Polanco, J. Pérez, X. Santiago, A. Guzmán, I. Torres 1389. NCW: The many faces of chemistry. W. de la Cruz, N. Torres, J. Suárez 1390. New methods for SAACS outreach and chapter development at NKU. C. A. Morris, C. D. Girten, S. M. Goins, C. P. Miller, R. A. Seger, H. A. Bullen, K. A. Walters 1391. Newberry College Student Affiliates Chapter of the American Chemical Society: Chemistry for everybody. W. Butler, A. Martin, B. Stanley, A. Amick, C. McCartha 1392. Northwestern State University rocks from the bayeux. S. Miller, B. Khurshid, M. Kilgore, G. E. A. Rudd, W. Flomer 1393. October at Arkansas State University. S. Hutson, M. Draganjac, A. Harvey, N. Noall, L. Rodery, M. Hutchison 1394. Ode to the Mole: A great Mole Day activity. S. J. Cardona-González, S-L. Meletich-Sepúlveda, A. Y. González, Y. Vega-Pérez, D. Concepción-Cardona, V. Montalvo, E. Garcia, M. Ramos-Fontan, I. Fernández 1395. Ouachita Baptist University SAACS: Improving society’s perception of chemistry. E. Smith, M. D. Perry Jr. 1396. Partnerships lead to a year of success. C. Richards, J. Bortiatynski 1397. Reaching out to our world through chemistry. A. T. Smith, S. A. Conway, K. A. Willis, C. M. Baldwin, R. F. Johnston

1398. Rewards of undergraduate participation in a local family science adventure program. S. M. Hailey, M. J. D’Souza 1399. SAACS activities at Morehead State University, Morehead, Kentucky. M. Smith, S. Janney, M. T. Blankenbuehler 1400. SAACS at Georgia Southern University: Where chemistry counts. J. R. Davis, G. B. Dazey, C. M. Davis-McGibony 1401. SAACS chemistry camp at Lock Haven University of Pennsylvania. J. D. Gilbert, A. M. Gerardi, B. D. Smith, K. Range, J. Whitling, B. D. May 1402. SAACS events that spark interest onand off-campus. J. M. Fritz, A. B. Moore 1403. Saint Mary’s Student Affiliates of the American Chemical Society poster abstract for the Sci-Mix. B. Broderick, C. Herdman 1404. Science as service. J. M. Brown, K. L. Evans 1405. Sharing chemistry with middle school, high school, and college students through interactive and stimulating educational methods. R. J. Weiss, K. E. Mitrovich, J. M. Thomsen, J. L. Boerneke, G. M. Moore, S. Y. Choung 1406. SHU-SAACS comes to New Orleans: The right mixture. J. DePalma, C. M. Aiuto, K. Hannigan, R. LaTerra, A. Spock, J. Ricardo, D. Scarmozza, C. Lee, J. Audie, C. Pannese, L. Farber 1407. SIUE Chemistry Club on campus and in the community. D. Powell, M. T. Sydow, L. N. Hamilton, C. Hise, D. Downs, M. Muehlenfeld, C. De Meo, S. D. Wiediger 1408. Southwestern College student affiliates: Creating strong bonds with local academic and professional institutions. C. dela Cruz, D. Yee, D. R. Brown 1409. Steps for building your own successful student affiliates chapter. S. R. Hogg, D. A. Victor 1410. Withdrawn. 1411. Strengthening the student scientific community at the University of Southern Maine. K. M. Fecteau, E. R. Fitch, S. Cote, S. Dhyana, L. A. Benedict, J. Ford 1412. Strong traditions and Green initiatives in the Centenary College of Louisiana SAACS. C. E. Miccoli, E. A. Davis, K. Jackson, J. D. Lawrence 1413. Structural changes lead to a successful Student Affiliates chapter at the University of Illinois at Urbana-Champaign. C. E. Schlosberg, T. P. Mui, J. C. Axelson, J. Willett, R. Ebisu, K. Pankow, A. Kelner, K. Fricke, L. A. Denofrio, J. A. Miller 1414. Student affiliate activities at Angelo State University. C. A. Cozby, B. Terrell, K. Boudreaux 1415. Student affiliate activities at Tennessee Tech University. D. J. Swartling, B. Newhouse, K. Monteen, D. J. Roubik, A. Nguy, A. B. Guerrero, E. Stoner 1416. Student Affiliates at Ball State University. C. Keyes, C. Suskovich, S. Pekovic, R. Heim, J. W. Ribblett 1417. Student Affiliates chapter at Seattle Pacific University. S. H. Lowman, B. Burrone, A. B. Caldwell, M. Gonzalez, G. D. Phelan 1418. Student Affiliates of Southeast Missouri State University. D. LaVictoire, A. Joiner, R. M. Theall 1419. Student Affiliates of the American Chemical Society at the University of St. Thomas, Houston, TX. A. Dinh, D. Schwartzenburg, V. Phuoc, T. Simon, L. Gillette, J. Jabbour, T. B. Malloy Jr.


CHED 1420. Successful activities of the Ferris State SAACS group. C. Beier, A. Jarabek, P. Di Raddo 1421. Successful activities of UAB SAACS. S. C. Brooks, R. L. Hammer, J. A. Nikles 1422. Successful student affiliates chapter at South Texas College. J. Gonzalez, D. Trevino, A. Masso, F. Flores 1423. Suffolk University Student Affiliates: Making our mark by opening up to the community. A. Marchetti, K. Krevolin, J. Urbanczyk, K. Belanger, A. Marciniak 1424. Targeted outreach modules: The USM Chemistry Club takes aim at the Maine State learning results. J. Ford, S. Dhyana, R. Griffin, K. Spruce, D. Crockett, C. K. Prudenté, L. A. Benedict 1425. The many faces of chemistry at Illinois Valley Community College. E. N. Wiedmann, M. E. Johll 1426. Think, evolve, and act with the Juniata College SAACS. J. D. Houck, B. Bogusz, K. M. George, A. F. Oliveri, B. W. Sykes, D. Wendekier 1427. Thirty years of ACS Student Affiliates at the University of Mary Hardin-Baylor. A. R. Sedillo, D. G. Watson 1428. Truman State University SAACS: Reaching out. R. D. Bethel, R. W. Buell, M. K. Thorstad, B. K. Kramer 1429. Tuskegee University Student Affiliates chapter of the American Chemical Society: A year in review. A. D. Hayes 1430. UIW chemistry club: In our element. J. M. Davis, A. M. Cavazos, K. Gil, R. Ahedo, A. Alvarez, C. Castillo, C. Clark, M. Lares, E. E. Gonzalez, B. G. McBurnett, J. J. Stankus 1431. Union College Chemistry Club: Forming bonds with the local community. L. M. Castellano, C. J. Backlund, D. C. Bailey, A. J. Barrow, A. J. Carrese, O. Davydenko, S. G. Gorman, E. C. Green, F. H. Ramay, M. L. Tse, M. K. Carroll, L. A. MacManus-Spencer 1432. University of Michigan ACS-SA: Past, present and future. A. R. Koltonow, M. R. Kole 1433. University of Michigan-Flint: Forming bonds that last. B. L. Yonke, A. Stanczyk, M. Howart, P. Tantravahi, C. Fage, M. Qureshi, S. Morin, D. Borgerding 1434. UPR-Cayey: The face of chemistry. A. Rivera, G. Rivera, L. Rodríguez, V. Orozco 1435. USM Chemistry Club: Sharing the excitement of chemistry locally and worldwide through podcasting. L. A. Benedict, D. Hanifi, S. Shuttle, K. M. Fecteau, J. Ford, C. Prudente 1436. W.T. Schrenk Society: Rebirth of ACS Student Affiliates at UMR/MS&T. A. B. Windhausen, B. N. Clark, K. A. Earl 1437. We are bringing back the old and mixing it with the new. R. I. Johnson, R. Varquez, T. Autry, J. Lee

TUESDAY MORNING Section A Hilton New Orleans Riverside Rosedown Chemistry Education Research

R. Cole, Organizer J. P. Suits, Organizer, Presiding 8:30 Introductory Remarks. 8:35 1438. Modeling a research group: Using students’ interests as instructional starting points in chemistry. L. A. Denofrio, Y. Lu 8:55 1439. Student understandings of solutions. S. A. Cunningham, D. J. Wink, S. K. Brennan, S. R. Goldman 9:15 1440. The act of writing effective laboratory reports: Student and teacher perspectives. N. D. Rovira-Figueroa, M. B. Nakhleh 9:35 Intermission. 9:45 1441. Investigation of lab report attitudes and chemistry theory adaptability using electronic lab notebooks. W. E. Schatzberg, K. A. O. Pacheco, J. P. Suits

10:05 1442. Mixed methods evidence of the impact of metacognitive instruction on chemistry problem solving. S. Sandi-Urena, M. M. Cooper, R. Stevens 10:25 1443. Findings from student data about impacts of the CASPiE model. G. C. Weaver, D. J. Wink, K. Scantlebury, W. L. Fornes 10:45 Intermission. 10:55 1444. Fostering the facilitation of collaboration: Inquiry into Graduate Teaching Assistant (GTA) professional development associated Collaborative Introductory Laboratory Activities (CILA). B. A. Brennan, J. Wingrave 11:15 1445. Assessing the role of learning style preferences on knowledge transfer in a biochemistry course. J. L. Hilsenbeck-Fajardo, R. M. Hyslop, J. P. Suits 11:35 1446. Culturally conscious, pan-historic introduction to chemistry. P. Goff, J. Vanderjagt, M. P, W. Hunter

Section B Hilton New Orleans Riverside Melrose George C. Pimentel Award in Chemical Education: Symposium in Honor of Richard N. Zare: Intersystem Crossing in Chemical Education Cosponsored by PHYS and ANYL

R. L. Lichter, Organizer, Presiding 8:30 Introductory Remarks. 8:50 1447. George C. Pimentel: Yesterday, today, and tomorrow. J. Pimentel 9:20 1448. What they left out of the lab manual: Professional skills training for graduate students, postdocs — and maybe even a few faculty. G. L. Richmond 9:50 Intermission. 10:05 1449. Rise and fall of the teacherscholar in education. M. P. Doyle 10:35 1450. Creating space to create. S. M. Malcom 11:05 1451. How to think about biology in a chemical way and its implications for education. L. Hood 11:35 1452. Award Address (George C. Pimentel Award in Chemical Education, sponsored by Rohm and Haas Company). Purpose of the Molecular Frontiers Foundation. R. N. Zare

Section C Hilton New Orleans Riverside Magnolia Environmental Chemistry Education Cosponsored by ENGENV

M. Koether, Organizer, Presiding 8:30 Introductory Remarks. 8:35 1453. Educational software for environmental chemistry. F. M. Dunnivant 8:55 1454. Resources for teaching and learning atmospheric chemistry. T. S. Dibble 9:15 1455. Investigation of VOCs emission sources for Lake Champlain Basin. K. B. Anderson, D. N. Gao 9:35 Intermission. 9:45 1456. Active, cooperative learning in a high enrollment environmental chemistry course. P. A. Shapley 10:05 1457. A little less talk and a little more action (in class): The redesign of an upper-level environmental chemistry course. D. Kreller, R. Way 10:25 1458. Bridging knowledge gaps: Merging content and application in an environmental chemistry course. D. B. King 10:45 Intermission. 10:55 1459. Emphasizing the importance of the molecular scale in addressing environmental issues. B. Venkataraman 11:15 1460. Environmental forensics: An advanced undergraduate course for chemistry majors. J. M. Van Doren

11:35 1461. Best practices in teaching environmental chemistry using popular movies and books. M. C. Koether 11:55 Concluding Remarks.

Section D Hilton New Orleans Riverside Jasperwood Chemical Evolution from Origins of Life to Modern Society Chemistry Deciphers Evolution and Probes Nature Cosponsored by ENVR, GEOC, and ORGN

L. Zaikowski, J. M. Friedrich, and S. R. Seidel, Organizers, Presiding 8:30 Introductory Remarks. 8:35 1462. Energetics of biomolecule synthesis on early Earth. J. P. Amend 9:05 1463. Artificial photosynthesis. J. T. Muckerman, E. Fujita 9:35 1464. Surviving an oxygen atmosphere: DNA damage and repair. C. J. Burrows 10:05 Intermission. 10:20 1465. Fluorescent responsive molecular probes for oligonucleotides detection. A. A. Marti, N. J. Turro 10:50 1466. Isotopes illuminate chemical change: Boron isotope pH proxy. N. G. Hemming 11:20 1467. Climate and atmospheric changes: Past, present and future. J. White 11:50 Concluding Remarks.

Section E Hilton New Orleans Riverside Oak Alley Keeping it Real: Inquiry Instruction and the Chemistry Laboratory

E. J. Yezierski and D. G. Herrington, Organizers S. A. Soman, Presiding 8:30 Introductory Remarks. 8:35 1468. Assessment of reforms in the physical chemistry laboratory at Texas A&M University. S. North, H. C. Gaede, J. D. Batteas, D. H. Son, C. Hilty, P. S. Cremer 8:55 1469. Trajectories for inquiry in the chemistry laboratory. M. E. Fay, S. L. Bretz 9:15 1470. Characterizing the level of inquiry in undergraduate laboratory. L. Whitson, M. Towns, S. L. Bretz 9:35 Intermission. 9:45 1471. Safe and economical chemistry inquiry for the K-12 classroom. J. I. Selco, M. Bruno, S. Chan 10:05 1472. Blending chemistry, chemical education, and inquiry for high school teachers. J. Henderleiter, S. A. Soman 10:25 1473. Impact of instructor training on the use of the science writing heuristic in the laboratory. S. J. Gravelle 10:45 Intermission. 10:55 1474. Assessing inquiry in the general chemistry laboratory. J. Reeves, D. B. Exton 11:15 Discussion.

TUESDAY AFTERNOON Section A Hilton New Orleans Riverside HEC A

1:55 1476. Identity formation of organic chemistry graduate students. B. Walls, G. Bhattacharyya 2:15 1477. Implicit vs. explicit depiction of hydrogen atoms in representations of organic structures: The effect on solving cyclohexane problems. D. S. Domin, H. Weizman 2:35 Intermission. 2:45 1478. Change in structure: The evolution of student difficulties in a spiral organic curriculum. N. P. Grove, S. L. Bretz 3:05 1479. Target Inquiry: Teacher professional development impacts on classroom practices and teacher beliefs about inquiry instruction. L. M. Kennedy, E. J. Yezierski, D. G. Herrington 3:25 1480. Effects performing authentic research has on secondary science educators’ classroom practices: Year two. J. D. Weld, D. I. Del Carlo, J. Ophus, A. VanWaardhuizen 3:45 Intermission. 3:55 1481. Prospective elementary school teachers’ understanding of the particulate nature of matter. L. S. Miller, M. B. Nakhleh 4:15 1482. Coding for metacognition in student journals in an elementary education majors course. M. Dianovsky, D. J. Wink 4:35 1483. How do elementary students learn chemistry? J. I. Selco, M. Bruno, S. Chan

Section B Hilton New Orleans Riverside Melrose George C. Pimentel Award in Chemical Education: Symposium in Honor of Richard N. Zare: Intersystem Crossing in Chemical Education Cosponsored by PHYS and ANYL

R. L. Lichter, Organizer, Presiding 1:30 Introductory Remarks. 1:35 1484. Wonderfest: Celebrating science and mystery. T. Hiatt 2:05 1485. Reflections on chemical education at a liberal arts college. R. J. Whelan 2:35 1486. Crossing the oxo wall. H. B. Gray 3:05 Intermission. 3:20 1487. We need our students to be problem solvers. M. M. Cooper 3:50 1488. Teachers and mentors: Striving to bequeath roots and wings. D. R. Herschbach 4:20 Panel Discussion: G Bodner, C. Gutiérrez, W. Heineman, J. Moore, S. Neal

Section C Hilton New Orleans Riverside Magnolia Environmental Chemistry Education Cosponsored by ENGENV

M. Koether, Organizer, Presiding 1:30 Introductory Remarks. 1:35 1489. The student-designed environmental chemistry course syllabus: What topics are they really interested in learning? S. F. Hornbuckle 1:55 1490. Globe program and the learning of chemistry and environment. J. López-Garriga, S. Mercado 2:15 1491. Chemistry, climate change, and culture in Bahia, Brazil. M. Harty 2:35 Intermission.

Chemistry Education Research

R. Cole and J. P. Suits, Organizers G. Bhattacharyya, Presiding 1:30 Introductory Remarks. 1:35 1475. Graduating chemistry majors’ conceptions of fundamental organic chemistry concepts. G. T. Rushton, R. Hardy, S. E. Lewis, K. P. Gwaltney


TECH–37

TECHNICAL PROGRAM

CHED 2:45 1492. Determination of chromium, lead, and iron in soil samples via ICP. F. M. Geiger 3:05 1493. Reinforcing green chemistry concepts using microscale laboratory experiments. J. K. N. Mbindyo, C. A. Katz, Z. J. Calzola 3:25 1494. Studying the macrochemistry of wastewater treatment plants: Environmental chemistry on a large scale. K. Dolbeare, J. Rambo 3:45 Concluding Remarks.

Section D Hilton New Orleans Riverside Jasperwood Chemical Evolution from Origins of Life to Modern Society Evolutionary Ideas and Applications Cosponsored by ENVR, GEOC, and ORGN

S. R. Seidel, J. M. Friedrich, and L. Zaikowski, Organizers, Presiding 1:30 Introductory Remarks. 1:35 1495. The evolution of chemistry through synthesis (and of synthesis in chemistry). T. R. Hoye 2:05 1496. Molecular machines: Natural and artificial molecular motors. T. W. Bell 2:35 1497. Gene expression: Control with designed molecules. B. Olenyuk 3:05 Intermission. 3:20 1498. Natural product structural diversity, biosynthesis, and drug discovery. B. Shen 3:50 1499. Combinatorial chemistry and diversity-oriented synthesis. A. W. Czarnik 4:20 1500. Rapid evolution caused by human-induced environmental changes. S. R. Palumbi 4:50 Concluding Remarks.

Section E Hilton New Orleans Riverside Oak Alley

WEDNESDAY MORNING Section A Hilton New Orleans Riverside Rosedown Research and Education in Material Science Partnerships in Education

P. C. Ray, C. Hawker, and M. W. Urban, Organizers S. E. Morgan, Presiding 8:30 Introductory Remarks. 8:35 1507. Materials research and education at a historically black university. H. Yu, J. Perkins, P. Ray 8:55 1508. Engaging and challenging undergraduates via interdisciplinary coursework: A new learner-centered approach to materials chemistry. L. A. Porter Jr. 9:15 1509. Integrating scanning probe microscopes in research activities and chemistry laboratories for undergraduates. J. C. Garno 9:35 Intermission. 9:45 1510. Educating and exciting middle school students in chemistry through materials science. S. O. Obare 10:05 1511. Research and education in materials science and engineering. S. Jeelani, M. Hines, M. Hosur, P. Leggett-Robinson, M. Reeves 10:25 1512. A synergistic partnership for research and education on nanostructured and functional materials. O. M. Suárez, J. Santos, E. Marrero, C. R. Rinaldi, S. Dika 10:45 Intermission. 10:55 1513. Nanotechnology in and out of the lab: University of Wisconsin-Madison MRSEC. J. J. de Pablo, G. M. Zenner 11:15 1514. Materials Research Facilities Network (MRFN), a national research and education resource. A. A. Odukale, C. J. Hawker, T. P. Lodge, T. P. Russell, M. W. Urban, J. J. de Pablo

Keeping it Real: Inquiry Instruction and the Chemistry Laboratory

Section B

D. G. Herrington, Organizer

Hilton New Orleans Riverside HEC A

E. J. Yezierski, Organizer, Presiding 1:30 Introductory Remarks. 1:35 1501. Alchemist apprentice: Inquirybased gas chromatography experiments. K. L. Steelman 1:55 1502. Development of a research based laboratory course in natural products chemistry. T. A. Newton, B. Hill 2:15 1503. Introduction of inquiry-based instruction in organic chemistry laboratories at Grambling State University. P. R. Alburquerque 2:35 Intermission. 2:45 1504. Scholarship-based model for introductory organic laboratory. J. T. Henssler, G. M. Gawlik, B. P. Coppola 3:05 1505. Inquiry-based approach to learning infrared spectroscopy. J. Bennett 3:25 1506. Practicum for the organic laboratory. S. C. Blackstock 3:45 Discussion. Starting a Successful Research Program at a Predominantly Undergraduate Institution Sponsored by YCC, Cosponsored by the Council on Undergraduate Research and CHED

Using the Arts to Teach Chemistry Practices

H. W. Kerby and C. Babiarz, Organizers, Presiding 8:30 Introductory Remarks. 8:35 1515. Using techniques from playwriting to teach chemistry. H. W. Kerby 8:55 1516. Incorporation of fiction into the chemistry curriculum. K. McMahon 9:15 1517. Using human demonstrations to teach organic chemistry. T. A. Knoerzer 9:35 Intermission. 9:45 1518. Chemist’s pallette: Using art to advance chemistry understanding. L. Hogue 10:05 1519. Using art, music, dance and drama to make chemistry accessible to all. Z. M. Lerman 10:25 Discussion.

Section C Hilton New Orleans Riverside HEC C Teaching Stereochemistry in the Undergraduate Curriculum

A. Holmes, Organizer, Presiding


38–TECH

8:30 Introductory Remarks. 8:35 1520. Understanding the relationship between chirality and optical activity. N. D. Berova 8:55 1521. Revision of an undergraduate curriculum: Chiral technology in advanced labs. J. W. Canary, P. S. Arora, D. J. Wink 9:15 1522. Molecular and supramolecular chirality: From local to long-range dissymmetry. R. Purrello 9:35 Intermission.

9:45 1523. Incorporating circular dichroism in the undergraduate chemistry curriculum. A. E. Holmes, T. Jordan 10:05 1524. Teaching stereochemistry in the organic chemistry course. F. J. Creegan 10:25 1525. The enzymatic resolution of enantiomers and the formation of diastereomers: An undergraduate NMR experiment. D. H. Smith, J-L. Giner, J. A. Faraldos 10:45 Discussion.

WEDNESDAY AFTERNOON

Section D

Laboratory Pedagogy: Research-Based Evaluation of Existing Models

Hilton New Orleans Riverside Grand Ballroom A

M. Cooper and G. C. Weaver, Organizers

NSF Catalyzed Innovations in the Undergraduate Curriculum

S. Hixson, Organizer P. Varma-Nelson, Presiding 8:30 Introductory Remarks. 8:35 1526. DUE: Supporting undergraduate education at NSF. E. L. Lewis, P. Varma-Nelson, S. H. Hixson, H. H. Richtol 8:55 1527. Western’s Integrated Laboratory Network (ILN): Sharing remote instrumentation within and between institutions. D. A. Cancilla, S. P. Albon 9:15 1528. First-year college/elementary school collaboration to map lead in soils from vehicle emissions while considering the social impact of leaded fuels. H. Van Ryswyk, G. W. Daub, P. Holbrook, M. W. Daub, J. D. Rubinstein, D. K. Hill, C. M. Stanisky, J. C. Thomas, G. R. Van Hecke 9:35 Intermission. 9:45 1529. Developing modules for teaching chemistry laboratory courses using POGIL and the science writing heuristic. T. J. Greenbowe, K. A. Burke 10:05 1530. Shifting responsibilities: When chemistry replaces first-year writing. J. E. Haky, D. M. Chamely-Wiik, J. R. Galin 10:25 1531. Quality of students’ metacognition and their use of molecular-level ideas in new contexts. D. Rickey, M. A. Teichert, L. T. Tien 10:45 Intermission. 10:55 1532. Examining the role of cognitive load and problem difficulty in introductory chemistry word problems. N. J. Pienta, J. S. Kirk, J. D. Schuttlefield 11:15 1533. Faculty perspectives of pedagogy, curriculum, and assesment in the undergraduate laboratory. S. L. Bretz, M. Towns, L. Whitson, M. E. Fay

Section E Hilton New Orleans Riverside HEC B Introductory Chemistry—Research on Student Learning

R. A. Krystyniak, Organizer T. C. Pentecost, Presiding 8:30 Introductory Remarks. 8:35 1534. Incorporating innovative learning techniques in a free-style peer-led team learning environment. J. L. Johnson, L. L. Llanes, J. E. Hernandez, J. E. Becvar 8:55 1535. Is PLTL an elixir for gatekeeper courses? S. C. Bhatia, L. W. Shipman 9:15 1536. Effectiveness of conceptual change focused interactive lecture demonstrations. B. E. Breyfogle, G. Saunders, C. Wood 9:35 Intermission. 9:45 1537. Periodic trends: “Watching” students work with complex data sets. S. D. Wiediger 10:05 1538. Problem solving and the promotion of high order cognitive skills. M. T. Oliver-Hoyo, J. Justice 10:25 Intermission. 10:35 1539. Effect of tutoring on student learning in general chemistry. S. H. Abbas, R. A. Abbas

10:55 1540. Student outcomes from a combined math and chemistry program: Ten year data. J-H. H. Choe, D. J. Wink 11:15 Discussion.

Section A Hilton New Orleans Riverside HEC B

D. J. Wink, Organizer, Presiding 1:30 Introductory Remarks. 1:35 1541. Effect of cooperative problem based projects on problem solving skills, performance and use of metacognition. S. Sandi-Urena, M. M. Cooper, R. Stevens 1:55 1542. Implementing guided-inquiry in the general chemistry laboratory. C. D. Bean, R. S. Lumpkin 2:15 1543. Scientific inquiry incorporating the science writing heuristic. J-H. H. Choe, D. J. Wink 2:35 Intermission. 2:45 1544. Undergraduate research through the CASPiE model: Evaluating components and the whole. D. J. Wink, G. C. Weaver 3:05 1545. There’s nothing wrong with the experiments! A. K. Szeto 3:25 1546. In and out of lab: A case study of the traditional undergraduate laboratory. C. B. Russell, G. C. Weaver 3:45 1547. Authentic laboratory experiences and students’ development of scientific process skills. K. F. Green 4:05 Concluding Remarks.

Section B Hilton New Orleans Riverside HEC A Using the Arts to Teach Chemistry Topics

C. Babiarz and H. W. Kerby, Organizers, Presiding 1:30 Introductory Remarks. 1:35 1548. Making connections by making art. R. Hartmann 1:55 1549. Using glaze chemistry as an example of the integration of art and science. J. N. Woodford, P. C. Johnson 2:15 1550. Fine art-inspired introductory chemistry laboratory experiments. C. A. Morse, M. Sweetgall 2:35 Intermission. 2:45 1551. Impacting chemical education through storytelling, dramatization, and old-fashion play. A. M. Sarquis 3:05 1552. Artful chemistry at Catawba College. C. A. Miderski, E. E. Hindman 3:25 1553. Art as experience: Arts integration in the science curriculum. J. E. Siuda 3:45 Discussion.

Section C Hilton New Orleans Riverside HEC C Teaching Stereochemistry in the Undergraduate Curriculum

A. Holmes, Organizer, Presiding 1:30 Introductory Remarks. 1:35 1554. Stereochemistry is introduced in several stages in the one-year organic chemistry course. L. Blau


CHED 1:55 1555. Teaching stereoselective carbonyl chemistry to a majors/honors section sophomore organic laboratory. C. M. Mascarenhas, S. E. St. John, K. E. Lazarski, A. A. Rich, E. Pasciak 2:15 1556. Induced circular dichroism: Designing undergraduate experiments. S. V. Dzyuba, B. C. Campbell, C. M. Brown 2:35 Intermission. 2:45 1557. Organic chemistry using a tablet computer. J. D. Van Horn 3:05 1558. Lessons in stereochemistry from vegetable reduction of an aromatic diketone. B. W. Baldwin 3:25 Discussion.

Section D Hilton New Orleans Riverside Grand Ballroom A Integrating Pedagogy and Technology: Lessons Learned from Engaging our Students using Electronic Classroom Response Systems

M. R. Asirvatham, Organizer, Presiding 1:30 Introductory Remarks. 1:35 1559. Using CPS with 2500 students: An analysis of question type and student response. M. Towns, W. R. Robinson, G. C. Weaver, P. G. Wenthold, B. Cisneros 1:55 1560. Enhancing pedagogical benefits of clickers in large classooms using information from general chemistry concept surveys. M. R. Asirvatham 2:15 1561. Depiction of curved arrow notation in organic chemistry using electronic response systems. S. M. Ruder 2:35 Intermission. 2:45 1562. Predict, observe, explain: Pairing classroom response systems and lecture demonstrations to promote molecular understanding. D. B. Exton, R. Sullivan 3:05 1563. Observations and lessons learned in implementation of a response system. W. J. Donovan 3:25 1564. Clickers in the general chemistry classroom. J. L. Sarquis 3:45 Intermission. 3:55 1565. Exploring effects of electronic response systems in general chemistry. A. R. Hoekstra 4:15 1566. Do personal response devices improve student engagement and can we assess it? D. B. King 4:35 1567. From research to practice: How a literature review on clickers can change our teaching methods. J. MacArthur, L. L. Jones

THURSDAY MORNING Section A Hilton New Orleans Riverside HEC B

8:45 1570. Binding of halides in polyazamacrocyclic receptors. M. A. Hossain 9:05 1571. Chemical nucleases as potential chemotherapeutic agent. S. S. Mandal, K. I. Ansari, G. A. Woldemariam, J. D. Grant 9:25 1572. Laser induced breakdown spectroscopy: Application to material science. J. P. Singh, F-Y. Yueh 9:45 1573. Science and technology of advanced multifunctional nanocarbon materials for vacuum microelectronics. S. Gupta 10:05 1574. Synthesis and evaluation of polycyclic high energy-density fuels. S. Rajkumar, A. Dudi, S. Kumar, I. N. Namboothiri 10:25 1575. Synthesis and structural elucidation of spiro(indoline-2,5’-isoxazolines) and spiro(indoline-2,3’,5’-pyrazolines). A. T. Hamme II, S. Dadiboyena, E. J. Valente 10:45 1576. Synthesis of spiro(indoline-2,5’isoxazolines) and spiro(indoline-2,5’pyrazolines) via 1,3-dipolar cycloaddition. A. T. Hamme II, S. Dadiboyena, E. J. Valente 11:05 1577. Theoretical investigation of boron doped single wall carbon nanotubes (BDSWCNTs). G. A. Hill Jr., J. Saloni

Section B Hilton New Orleans Riverside Melrose Using Technology to Enhance Learning in Organic Chemistry Lecture & Laboratory

J. W. Wackerly, Organizer, Presiding 8:20 Introductory Remarks. 8:25 1578. Blackboard, power point, and online homework. L. Farber 8:45 1579. Using online collaborative learning to introduce green chemistry to undergraduate organic laboratories. C. E. Munson, A. N. French, B. R. Barron, J. A. Heppert 9:05 Intermission. 9:15 1580. Online laboratory tutorials: Design, implementation and impact. L. S. Starkey 9:35 1581. Animations of organic reactions for better visualization of reaction mechanisms. A. Banerjee, L. D. Louisiana II, R. Marsh 9:55 1582. How Spartan helped an inorganic chemist teach an organic-biochemistry course. M. J. Sanger 10:15 Intermission. 10:25 1583. Technology in the organic classroom: Clickers, tablets and online homework. S. M. Ruder 10:45 1584. Active learning with OrganicPad, a Tablet PC based tool developed for the chemistry classroom. T. A. Gatlin, M. M. Cooper, R. Pargas, S. Bryfczynski 11:05 Discussion.

Research and Education in Material Science Research in Education

Section C

C. Hawker and M. W. Urban, Organizers

Developing Chemistry Curriculum for the Home School Environment – Experimental Results

P. C. Ray, Organizer, Presiding 8:00 Introductory Remarks. 8:05 1568. Characteristics of nanomaterials: Challenges of theoretical predictions. J. Leszczynski 8:25 1569. Selective control of singlet oxygen photosensitization via pH dependent porphyrin-TiO2 nanocomposites. W. Li, N. Gandra, R. Gao


Hilton New Orleans Riverside HEC A

F. K. Wood-Black, Organizer, Presiding 8:00 Introductory Remarks. 8:05 1585. How to teach what you don’t remember: The challenge of high school science and homeschooling. H. J. Elston 8:25 1586. Bringing theory to reality: Beta testing adventures. F. Wood-Black, T. Black, A. Black 8:45 1587. The good, the bad and the ugly: Using the chemistry found in movies, television programs, newspaper stories and internet for class discussions. M. E. Johll 9:05 Intermission. 9:15 1588. Online chemistry tutoring system. G. V. Lo, M. A. Janusa 9:35 1589. Thought experiments and experimental design. F. Wood-Black, T. Black, A. Black

9:55 1590. Safe and inexpensive supermarket chemical reactions. J. I. Selco, M. Bruno, S. Chan 10:15 Concluding Remarks.

Section D Hilton New Orleans Riverside Jefferson Ballroom General Papers

T. A. Miller, Organizer S. Shima, Presiding 8:00 Introductory Remarks. 8:05 1591. Chemical sense of a series of physical laws. Y. V. Gankin, V. Gankin 8:25 1592. Physical sense in chemical laws and rules. Y. V. Gankin, V. Gankin 8:45 1593. Advancing the innovations in chemistry experiments. S. Shukla, A. Shukla, M. Musaddaq, D. Shukla, M. Miguez 9:05 Intermission. 9:15 1594. Integration of capillary electrophoresis into the undergraduate chemistry curriculum: Impacts on student learning and student-faculty research. K. H. Bennett, S. W. Smith 9:35 1595. Clear expectations for students and faculty: Implementation of course-wide grading rubrics for general chemistry laboratory. J. J. Stankus, D. A. Self 9:55 1596. Laboratory course content map: Identifying the progression of chemical concepts and laboratory skills learning in a general chemistry laboratory. J. J. Stankus 10:15 Intermission. 10:25 1597. Modeling Lewis structures with LEGO® bricks. C. J. Masi 10:45 1598. Team-based learning in chemistry. S. Xie 11:05 Concluding Remarks.

THURSDAY AFTERNOON Section A Hilton New Orleans Riverside HEC B Chemistry Education: Meeting ACS Guidelines and National and State Standards

S. Yohn and L. Mulfinger, Organizers R. de Groot, Organizer, Presiding 1:00 Introductory Remarks. 1:05 1599. Teaching the organization of the periodic table. J. I. Selco, M. Bruno, S. Chan 1:25 1600. Relationship between academic background and success on the science TAKS test. K. M. Sherman, D. Mason 1:45 1601. Building an aligned assessment structure around Chemistry in the Community within a high school transformation project. P. L. Daubenmire, S. K. Brennan, J. Mason, A. Tarnoff, D. J. Wink 2:05 Intermission. 2:15 1602. Chemistry for elementary education majors. R. L. McCann 2:35 1603. Using lesson study as a professional development tool to promote the teaching of chemistry topics in middle school classrooms in California. R. de Groot, C. Craney, A. Mazzeo 2:55 1604. Organization and challenges of a professional development course sequence. J. S. Rogers 3:15 Discussion.

Section B Hilton New Orleans Riverside HEC C Using Technology to Enhance Learning in Organic Chemistry Online Homework

J. W. Wackerly, Organizer, Presiding 1:00 Introductory Remarks.

1:05 1605. Synthesis explorer: Organic chemistry tutorial system for multistep synthesis design and reaction mechanism prediction. J. H. Chen, P. Baldi 1:25 1606. Steps toward a fully online organic chemistry course. P. A. Janowicz, J. S. Moore 1:45 1607. Using ChemSketch to submit organic answers online. E. L. Brown 2:05 Intermission. 2:15 1608. Implementing an online homework program in a large organic chemistry lecture course. J. L. Curtis, K. W. Walker 2:35 1609. Increased scope of ACE Organic, a web-based organic chemistry homework program. R. B. Grossman 3:15 Intermission. 3:25 1610. Using online quizzes to improve student learning. L. S. Starkey 3:45 1611. Using technology in a large lecture organic class for nonchemistry majors. J. S. Moore, P. A. Janowicz, J. W. Wackerly 4:05 Discussion.

Section C Hilton New Orleans Riverside HEC A General Papers

T. A. Miller, Organizer S. Shima, Presiding 1:00 Introductory Remarks. 1:05 1612. Engaging students in classroom teaching: Teaching practicum for science, engineering, and mathematics graduate students. J. A. Heppert, D. J. Bernstein, L. S. Villafuerte, C. J. Bode, G. K. Webber 1:25 1613. Freshmen and research at Xavier University of Louisiana. R. B. Ahmed-Schofield, M. R. Adams, R. Isovitsch 1:45 1614. Incorporation of research into a biochemistry laboratory curriculum. C. A. Sarisky, T. W. Johann 2:05 Intermission. 2:15 1615. Etiology of a research-supportive undergraduate curriculum in forensic science. M. H. Silveira, R. L. McDaniels, A. I. Paul, F. R. Fronczek 2:35 1616. Improvement in synthetic, laboratory, and instrumental skills via organic synthetic project-based labs. K. S. Yamaguchi 2:55 1617. Teaching NMR spectroscopy in organic chemistry using predictive and interpretive exercises. D. Soulsby, B. Murray 3:15 1618. Detection of explosives and nitro-substituted aromatic molecules with metal oxide sensors. J. Kreil, G. J. Szulczewski 3:35 Concluding Remarks.

Section D Hilton New Orleans Riverside Jefferson Ballroom General Papers

T. A. Miller, Organizer, Presiding 1:00 Introductory Remarks. 1:05 1619. Teaching biochemistry to “arts and media” students from within an intellectual community. B. Büdy 1:25 1620. The science of food and cooking: A non-majors science course. D. T. Miles, J. K. Bachman 1:45 1621. Chemical evolution and biomimetic chemistry. C. J. Bender 2:05 Intermission. 2:15 1622. Implementation of a virtual analytical instrument for enzyme kinetics experiment in biochemistry laboratory. N. Matsuno 2:35 1623. Using Microsoft Excel to enhance student understanding of the fourier transform. D. R. Fry 2:55 1624. Science by and for everyone program: A new environment for thinking about and communicating science. M. G. Lorenzo 3:15 Concluding Remarks.

TECH–39

TECHNICAL PROGRAM

CHAS/CINF

CHAS Division of Chemical Health & Safety D. M. Decker and S. Wawzyniecki Jr., Program Chairs

OTHER SYMPOSIA OF INTEREST: Developing Chemistry Curriculum for the Home School Environment – Experimental Results (see CHED, Thu) Using the Arts to Teach Chemistry (see CHED, Wed) The Chemistry of Alcohol (see YCC, Sun)

SOCIAL EVENT:

1:35 7. Grignard reagents on the pilot plant scale. G. Hansen 2:05 8. Unseen hazards in the industrial plant: The use (and misuse) of radioactive material in the process industry. H. J. Elston 2:35 Intermission. 2:50 9. Toulouse and Texas City disaster: Comparing their consequences, investigations and lessons learned. B. Hoyle, N. Dechy 3:20 10. Oxidizer plant explosion: Lessons we should have learned. N. Langerman 3:50 Concluding Remarks.

WEDNESDAY MORNING

CINF Division of Chemical Information L. R. Solla, Program Chair

OTHER SYMPOSIA OF INTEREST: Energy Research: Future Challenges and Opportunities (see PRES, Mon) Using Social Networking Tools to Teach Chemistry (see CHED, Mon)

Executive Committee Meeting: Sun


D. M. Decker, Organizer 8:00–10:00 1. Did I really just see that? F. Wood-Black

TUESDAY MORNING Section A Morial Convention Center Rm. 336 Laboratory Safety Incidents and Near Misses: Case Studies and Lessons Learned Cosponsored by AIChE Loss Prevention Symposium (Area 11a), and PROF

G. H. Wahl Jr., T. Murdock, and J. F. Murphy, Organizers 9:00 Introductory Remarks. 9:05 2. Implementation of occupational safety and health management system in a local laboratory. C-W. Kan 9:35 3. STAR-LITE: An innovative approach to delivering laboratory safety training to students. K. A. Scanlon, K. E. Traum, S. E. Krall, D. Wilson, K. Johnstone 10:05 Intermission. 10:20 4. A series of unusual occurrences. K. G. Benedict 10:50 5. Case study: Creating and sustaining a safe laboratory and pilot plant operation. W. E. Crouse, D. Santiago 11:20 6. Reactive chemical incidents in the laboratory. N. Langerman 11:50 Concluding Remarks.

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 336 Laboratory Safety Incidents and Near Misses: Case Studies and Lessons Learned Cosponsored by AIChE Loss Prevention Symposium (Area 11a), and PROF

G. H. Wahl Jr. and T. Murdock, Organizers 1:30 Introductory Remarks.


40–TECH

SUNDAY AFTERNOON Section A Marriott Convention Center Blaine Kern C Transformation of Library Services in the Digital Age Cosponsored by CHED

A. Twiss-Brooks, Organizer

Risk Assessment and Assessment of Toxicology Using Control Banding

Model Applicability Domains: When Can I Use my Model? (see COMP, Wed, Thu)

K. B. Jeskie, Organizer

SOCIAL EVENTS:

1:55 Introductory Remarks. 2:00 14. Coordinating digital acquisitions. J. B. Carver 2:25 15. Electronic science and technology books: Trends in acquisitions and access. E. Kajosalo 2:50 16. Management of e-journals and e-books: Information flow to the end users. A. Kumar, M. P. Brändle, A. Müller, E. Zass

Luncheon: Tue Reception: Tue, Sun

Section A

Section A Morial Convention Center Rm. 336

Drug Discovery (see COMP, Sun, Mon, Tue, Wed)

Programming Luncheon: Mon

BUSINESS MEETING:

Drug Discovery Docking and Scoring Sponsored by COMP, Cosponsored by CINF, Financially supported by Merck Research Laboratories

9:00 Introductory Remarks. 9:05 11. Can chemists do risk assessment? K. P. Fivizzani 9:35 12. Basic risk assessment for laboratorians: How to manage the daily risks in your laboratory. R. H. Hill Jr., D. C. Finster 10:05 13. Avenues for worker involvement in hazard assessment. J. T. Hughes Jr. 10:35 Intermission. 10:50 14. Novel approach for predicting and quantifying tangible and intangible risks for catastrophic incidences using CPQRA and VaR in chemical process industry. K. P. Prem, M. S. Mannan, M. Sawyer 11:20 15. Integrating hazards analysis into planning research and development projects. K. Begley Jeskie 11:50 16. Medtronic green screen. T. O. Murdock 12:20 Concluding Remarks.

WEDNESDAY AFTERNOON Section J Morial Convention Center Hall E-2 Process Safety Incidents and Near Misses: Case Histories and Lessons Learned Sponsored by AIChE Loss Prevention Symposium (Area 11a), Cosponsored by CHAS‡

J. F. Murphy, D. M. Decker, G. H. Wahl Jr., T. O. Murdock, A. I. Ness, L. Long, and A. Wenzel, Organizers 1:30 99159. Fire and explosion in an explosives conditioning bunker. T. J. Myers, P. C. Hinze, H. K. Kytömaa 2:00 99160. A series of small changes. J. Wincek, A. I. Ness 2:30 99161. Combustible dust explosion case history. J. K. Thomas, A. Pierorazio, D. Kirby, M. Edel 3:00 Intermission. 3:30 99162. Case study: The importance of reliable inertisation and earthing of ignition sensitive powder handling systems. W. Roper 4:00 99163. HCl tank explosion. C. D. Chandwadkar, G. Nasiri, A. Seyfzadeh 4:30 99164. Synthron runaway reaction and vapor cloud explosion. J. Lay


SUNDAY MORNING Section A Marriott Convention Center Blaine Kern C Transformation of Library Services in the Digital Age Cosponsored by CHED

A. Twiss-Brooks, Organizer 8:30 Introductory Remarks. 8:35 1. Can social networks help to increase the use of e-books in academia? S. I. Gurke 9:00 2. Enhancing information resources and instruction with computational and chemical software. J. R. Garritano 9:25 3. Issues and opportunities associated with federated searching. G. Baysinger 9:50 4. VIVO: Connecting the disciplines at Cornell. L. R. Solla 10:15 Intermission. 10:25 5. Transforming the online catalog through faceted browsing. A. Twiss-Brooks 10:50 6. Improving the usability of the University of Rochester River Campus Libraries’ web sites. S. K. Cardinal 11:15 7. Online social networks: Swiss Army information tools. G. McKiernan

Section B Marriott Convention Center Blaine Kern D Engineering the Transition to the Bioeconomy Information Resources Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), FUEL, and ENGENV

S. Swann, Organizer B. Town, Organizer, Presiding 8:50 Introductory Remarks. 8:55 8. Progress toward the bioeconomy: An overview. S. Swann 9:15 9. People are the bioeconomy: Social media for engaged information conversations. G. McKiernan 9:45 Intermission. 10:00 10. Developments toward the knowledge-based bioeconomy. J. Sime 10:30 11. Feedstock to fuel: National Agricultural Library’s guide to current research and impacts of cellulosic biofuel production. M. S. Terborg 11:00 12. Information resources: Finding one’s way through the “maize” of the new bioeconomy. W. W. Armstrong 11:30 13. Patenting the transition to the bioeconomy: Tools for searching. E. S. Simmons

Marriott Convention Center Blaine Kern C Past, Present and Future of the Kilogram Cosponsored by HIST

P. J. Karol, Organizer 3:30 17. Avogadro’s constant: A brief history. C. J. Giunta 3:55 18. On the history of the Avogadro constant and implications for defining the mole. I. Mills 4:20 19. Proposing a clear, friendly, redefinition of the mole. P. J. Karol 4:45 20. Quantum electrical units and the new SI: Linking macroscopic to microscopic mass via the “electronic kilogram”. D. B. Newell

Section B Marriott Convention Center Blaine Kern D Cheminformatics: From Teaching to Research Public Cheminformatics Resources Cosponsored by COMP

A. Varnek and A. Tropsha, Organizers, Presiding 1:40 Introductory Remarks. 1:45 21. Cheminformatics developments at RECCR: New tools, collaborations and outreach. C. M. Breneman, N. Sukumar 2:10 22. Projects in the Michigan Alliance for Cheminformatic Exploration. K. Shedden, G. R. Rosania 2:35 23. I don’t care where my data and methods are: A web-service approach for distributed access to methods, data and models. R. Guha, G. Fox, K. E. Gilbert, M. Pierce, D. J. Wild 3:00 24. Carolina ChemBench (C-ChemBench): A web-based cheminformatics expert system for the analysis and prediction of biological screening data. T. Zhao, C. Grulke, B. Zafer, W. Zheng, D. Pozefsky, A. Tropsha 3:25 Intermission. 3:40 25. ChemSpider: Building a structurecentric community for chemists. A. J. Williams 4:05 26. ChemModLab/ChemSpider: QSAR modeling and model-based searching. S. S. Young, J. M. Hughes-Oliver 4:30 27. RoadRunner: A publicly available bioactivity database. T. I. Oprea, S. L. Mathias, J. J. Yang, C. G. Bologa 4:55 28. Cheminformatics in Open Notebook Science. J-C. Bradley

CINF 5:20 29. ChemXSeer: Cyber-tools for researchers in environmental chemistry. K. T. Mueller, P. Mitra, C. L. Giles, B. J. Garrison, J. D. Kubicki, S. L. Brantley, B. Sun, Y. Liu, W. J. Brouwer, S. Nangia, J. Z. Bandstra

MONDAY MORNING Section A Marriott Convention Center Blaine Kern C

2:30 44. Experiences with knowledge and data sharing at Lhasa Limited. P. N. Judson 3:00 45. Safe exchange of chemical information: Not “safe” enough? T. I. Oprea 3:30 46. Using SemanticEye and FOAF to add value to the scientific collaboration process. O. Casher, H. S. Rzepa 4:00 Intermission. 4:15 Open Meeting. CINF Division. 4:30 Open Meeting. Committees on Publications and Chemical Abstracts Service.

Cheminformatics Implications of Collaborations between Academia and Industry Cosponsored by CSA Trust and COMP

Section B

W. A. Warr and O. F. Guner, Organizers

ADAPT’ing to Retirement: A Symposium Honoring Peter C. Jurs Cosponsored by COMP, PROF, and ANYL

9:00 30. Can innovation from industry find broader application? F. Zhu, D. K. Agrafiotis 9:30 31. Rewards and challenges of academic-industrial collaborations in the area of computational drug discovery. A. Tropsha 10:00 32. Academic-industrial collaboration in chemoinformatics: Experiences from the UK. V. J. Gillet, P. Willett 10:30 Intermission. 10:45 33. University-industry collaborations: The good, the bad, and the ugly. G. Maggiora 11:15 34. Both sides now: An intimate perspective on collaborations. R. D. Clark 11:45 35. Networking universities of applied science with small and medium size enterprises: New applications of semantic systems. R. Deplanque

Section B Marriott Convention Center Blaine Kern D Engineering the Transition to the Bioeconomy Policy and Economics Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), FUEL, and ENGENV

B. Town, A. Pichon, and T. Hopkinson, Organizers S. Swann, Organizer, Presiding 8:25 Introductory Remarks. 8:30 36. Biofuels production: Process technical and economic characterizations. R. L. Bain 9:00 37. Renewable energy and forest biomass supply. J. A. Stanturf, B. J. Stokes, M. A. Buford 9:30 38. Developing the new lignocellulosic energy age. A. Ragauskas 10:00 Intermission. 10:15 39. Policies and drivers to deliver a viable bioeconomy. D. B. Turley 10:45 40. Challenges and strategies of a successful National Biofuels Program. V. Sarisky-Reed 11:15 41. Potential impact of climate change on the bioeconomy. R. M. Cruse 11:45 42. Withdrawn. Drug Discovery Finding Hits Sponsored by COMP, Cosponsored by CINF, Financially supported by Merck Research Laboratories Using Social Networking Tools to Teach Chemistry Sponsored by CHED, Cosponsored by CINF

MONDAY AFTERNOON Section A Marriott Convention Center Blaine Kern C Cheminformatics Implications of Collaborations between Academia and Industry Cosponsored by CSA Trust and COMP

Marriott Convention Center Blaine Kern D

R. Guha, Organizer, Presiding 1:10 Introductory Remarks. 1:15 47. Wavelet based search prefilters for spectral library matching. B. K. Lavine, N. Mirjankar, K. Nuguru 1:45 48. Fragment activity comparison tool. S. R. Johnson, B. L. Claus, O. Gudmundsson, P. A. Elzinga, G. Everlof, M. J. Hageman 2:15 49. Modeling a touch of freshness: Developing a QSPR model for amineassisted perfume delivery in laundry detergent. D. T. Stanton, J. Smets, M. Van de Walle, A. Pintens, S. Van de Velde, R. Trujillo 2:45 Intermission. 3:00 50. QSAR at the undergraduate institution and a model of air-to-blood partition coefficients for small organic molecules. N. R. McElroy, S. D. Smith 3:30 51. Adapting in an ABCD world. E. P. Jaeger Using Social Networking Tools to Teach Chemistry Sponsored by CHED, Cosponsored by CINF


G. Grethe and L. R. Solla, Organizers 8:00–10:00 28-29, 36, 39, 43. See previous listings. 52. Bias data fusion with turbo search to improve chemical similarity searching. J. W-C. Chen, J. Holliday, J. Bradshaw 53. Structure generation using reaction vectors. H. Patel, V. J. Gillet, B. Chen, M. Bodkin 54. Withdrawn. 55. OSRA: Using open source optical structure recognition software to recover chemical information. I. V. Filippov, M. C. Nicklaus 56. Pattern vectors for feature extraction in large scale datasets. K. Tang, T. Li 65, 68, 73, 78, 91, 93, 96, 109110. See subsequent listings.

TUESDAY MORNING Section A Marriott Convention Center Blaine Kern C Cheminformatics: From Teaching to Research Recent Advances in Cheminformatics Research Cosponsored by COMP

A. Tropsha, Organizer

W. A. Warr and O. F. Guner, Organizers

A. Varnek, Presiding

2:00 43. Community-based collaborative drug discovery for neglected infectious diseases. B. A. Bunin, S. Ernst

8:15 Introductory Remarks. 8:20 57. Comprehensive framework of chemoinformatics. J. Gasteiger

8:50 58. NIH Roadmap data: New possibilities for computer-aided drug discovery. V. V. Poroikov, D. Filimonov, M. C. Nicklaus 9:15 59. Combining direct and indirect strategies in computer-assisted drug design. F. Sanz, C. Dezi, J. Selent, M. Pastor 9:40 60. Activity profile browsing using target affinity maps. G. Wolber, G. Ibis, F. Bendix, T. Langer 10:05 Intermission. 10:20 61. Molecular selectivity index for ligand based drug design. D. Marcus, A. Goldblum 10:45 62. Properties of ensemble models for supervised learning. J. M. Hughes-Oliver 11:10 63. Ligand based virtual screening identifies CAR nuclear receptor activators and active opioid receptor molecules. S. D. Bryant, J. Dekeyser, C. Omiecinski, E. Marczak, L. H. Lazarus 11:35 64. High performance robust datamining for cheminformatics. G. Fox, S-H. Bae, R. Guha, M. Pierce, X. Qiu, D. J. Wild, H. Yuan

2:45 74. Developing a cheminformatics education and teaching center for the Web 2.0 world. D. J. Wild 3:05 75. Open toolkits and applications for chemoinformatics teaching. C. Steinbeck 3:25 Intermission. 3:40 76. Mounting an undergraduate Chemoinformatics course with free software. J. Aires-de-Sousa 4:00 77. Structure-focused pharmacophore models for teaching and exploring proteinligand interactions. T. Langer, G. Wolber, D. Schuster 4:20 78. Reaction prediction, classification, and retro-synthesis using a rule-based reaction expert system. J. H. Chen, Q-N. Hu, P. Baldi 4:40 79. PowerMV: A free resource for viewing and manipulation of SD files. S. S. Young 5:00 80. NMR-based mixture analysis of juices and beverages using an integrated online cross-platform cheminformatics tool. I. Pelczer, M. D’Souza, G. Banik

Section B Section B Marriott Convention Center Blaine Kern D Engineering the Transition to the Bioeconomy Science and Technology Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), FUEL, and ENGENV

T. Hopkinson, A. Pichon, B. Town, and S. Swann, Organizers A. J. Ragauskas, Presiding 8:25 Introductory Remarks. 8:30 65. Sugar crops as feedstocks for the biofuels industry. E. P. Richard Jr., T. L. Tew, R. M. Cobill, A. L. Hale 9:00 66. Modifying the corn genome to meet the US biofuel agenda. M. Sticklen 9:30 67. Sugar yields from pretreatment and enzymatic hydrolysis of corn stover and poplar. C. E. Wyman, B. E. Dale, R. Elander, M. Holtzapple, M. R. Ladisch, Y. Y. Lee, C. Mitchinson, J. N. Saddler 10:00 Intermission. 10:15 68. Potential and perspectives of polymers produced by biotechnology. A. Steinbüchel 10:45 69. Growth-arrested corynebacteria as whole-cell biocatalysts for biofuel production. H. Yukawa 11:15 70. Anaerobic fermentation of glycerol in Escherichia coli: A new path to biofuels and biochemicals. R. Gonzalez Drug Discovery Mostly about Ligands Sponsored by COMP, Cosponsored by CINF, Financially supported by Merck Research Laboratories

TUESDAY AFTERNOON Section A Marriott Convention Center Blaine Kern C Cheminformatics: From Teaching to Research Cheminformatics Education Cosponsored by COMP

Marriott Convention Center Blaine Kern D Careers in Chemical Information Cosponsored by CHAL, PROF, COMP, CEPA, and WCC

L. M. Balbes, Organizer 1:30 Introductory Remarks. 1:35 81. Chemist-librarian: The best of both worlds. F. B. Culp 2:00 82. You know you’re a chemical information searcher if. B. M. Bridgewater 2:25 83. Information highway to drug discovery. L. P. Greenblatt 2:50 Intermission. 3:00 84. Path less traveled: From the periodic table to public relations. J. E. Mears 3:25 85. Breaking news: Chemistry is everywhere. I. Amato 3:50 86. Careers in patent law: Going beyond the bench with your chemistry degree. J. J. Hasford 4:15 Networking Discussion.

WEDNESDAY MORNING Section A Marriott Convention Center Blaine Kern C Challenges in Structure Searching

J. Williams, Organizer 9:00 87. Application of novelty detection in virtual screening. J. Gasteiger, D. Hristozov, C. H. Schwab 9:30 88. Theory and practice of statistical significance for molecular similarity scores: When is a similarity score “significant”? P. Baldi, R. W. Benz 10:00 89. Fast and accurate prediction of small-molecule 3-D structures. R. W. Benz, P. Baldi 10:30 90. Making 3-D structure searching easier. R. Taylor 11:00 91. Chemical Structure Lookup Service (CSLS). M. Sitzmann, I. V. Filippov, W-D. Ihlenfeldt, M. C. Nicklaus

A. Varnek, Presiding A. Tropsha, Organizer, Presiding 1:40 Introductory Remarks. 1:45 71. Chemoinformatics: Recognition through teaching. A. Varnek 2:05 72. Graduate training in chemoinformatics at the University of Sheffield. V. J. Gillet, J. Holliday, P. Willett 2:25 73. Molecular informatics: Research and learning. J. M. Goodman, J. B. Mitchell, R. C. Glen


TECH–41

TECHNICAL PROGRAM

CINF/TECH/CHAL Section B

THURSDAY MORNING

MONDAY EVENING

WEDNESDAY AFTERNOON

Marriott Convention Center Blaine Kern D

Section A

Section A

Section A

Marriott Convention Center Blaine Kern C


Marriott Convention Center Blaine Kern B

General Papers

Sci-Mix Cosponsored by CTA

L. R. Solla, Organizer

M. K. Moore and J. Lugo, Organizers

9:00 109. Conformational selection revealed by flexible-ligand flexible-protein docking. Z. Huang, C. F. Wong 9:30 110. Classification models for hERG inhibitors by counter-propagation neural networks. K-M. Thai, G. F. Ecker 10:00 111. Discovery and applications of power-laws in organic chemistry. R. W. Benz, S. J. Swamidass, P. Baldi 10:30 112. Does being “lazy” in a smart way help? S. K. Dogra, K. Subramanian 11:00 113. How do I know my model is telling me the right thing? S. K. Dogra, K. Subramanian 11:30 114. On the problem of imbalanced datasets. S. K. Dogra, K. Subramanian

8:00–10:00 4. TECH: Our roadmap to the future. S. E. Large, K. Hayslip, A. E. Pinchard 5. History of the National Chemical Technician Award. M. K. Moore, J. Smith 6. Climatic changes affecting energy industry workforce and response to environmental challenges. S. Bamiatzis, J. K. Galiotos 7. HCC-NE Energy Institute and Siemens Process chromatography initiatives. J. K. Galiotos, S. M. McCown 8. Chemical technicians: One of the many faces of chemistry. K. P. Hunter 9. The many faces of CTA. V. M. Mautino 10. Laboratory techniques. E. T. Cole, M. K. Moore 11. WISE Chemistry across Tennessee. A. Schaible, J. Kiri, C. DeSheles, M. K. Moore 12. Northeast Tennessee Technician Affiliate Group. V. Bledsoe 13. WTC tag history, Shell GS, Westhollow Technology Center, Houston Texas. D. Neal, C. A. Burnley 14. Mid Michigan Technician Group in 2006. D. Mendrick, D. Fuerst

Equipping the 2015 Chemical Technology Workforce: Applied Chemical Technology Advancement and Enhancement Cosponsored by Career Services and CTA, CEPA, PROF, and YCC

Engineering the Transition to the Bioeconomy Commercialization Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), FUEL, and ENGENV

B. Town, S. Swann, A. Pichon, and T. Hopkinson, Organizers Y. Liu, Presiding 8:25 Introductory Remarks. 8:30 92. Advances in industrial biotechnology and biorefining. M. T. Carr 9:00 93. When small is beautiful: SME scale engineering. R. E. Groom 9:30 94. Current perspectives on licensing and technology transfer in technology industries. A. H. Berks 10:00 Intermission. 10:15 95. Cellulosic biofuels and Shell. J-P. Lange 10:45 96. Cellulosic ethanol gets ready for prime time. C. Riva 11:15 97. Building a cellulosic biofuels industry from the ground up: Tennessee Biofuels Initiative. K. Tiller, T. Rials 11:45 98. Challenges in commercializing production of fuels from cellulosic biomass. C. E. Wyman Drug Discovery Sponsored by COMP, Cosponsored by CINF, Financially supported by Merck Research Laboratories

THURSDAY AFTERNOON Model Applicability Domains: When Can I Use my Model? Sponsored by COMP, Cosponsored by CINF

TECH

WEDNESDAY AFTERNOON

Division of Chemical Technicians

Section A

K. Hayslip, Program Chair

Marriott Convention Center Blaine Kern C

SOCIAL EVENTS: Challenges in Structure Searching

Dinner: Sun Reception: Mon

J. Williams, Organizer 1:30 99. Analyzing large chemical substance answer sets in SciFinder: Techniques for comprehensive retrieval and subsequent exploration. A. J. Trippe 2:00 100. Challenges in structure searching: Tools, knowledge, and experience. L. Burgess 2:30 101. Overcoming eccentricities of inorganic and organometallic substructure searching. J. Currano 3:00 102. Comparing chemical structure searching in multiple structural databases. D. Walter, B. Stewart 3:30 103. Comparing Merged Markush Service and Marpat search results: Two case studies. J. M. Terlizzi

Section B Marriott Convention Center Blaine Kern D Chemical Pricing, Business and Industry Information: Determination, Dissemination, and Use Cosponsored by I&EC

J. R. Garritano and P. Kirkwood, Organizers 1:00 Introductory Remarks. 1:05 104. Follow the price and flow of chemicals using worldwide trade statistics. B. Stewart 1:30 105. Role and practice of price assessment in chemical markets. S. Burns 1:55 106. Untangling the chemical information pricing web. J. B. Carver, P. Kirkwood 2:20 107. Information needs during the chemical engineering senior design sequence at the University of Arkansas. R. R. Beitle 2:45 108. Teaching students to use company and industry information during their job search. J. R. Garritano Model Applicability Domains: When Can I Use my Model? Sponsored by COMP, Cosponsored by CINF

42–TECH

TUESDAY MORNING

M. K. Moore, Organizer D. Eggers, Presiding 2:30 1. Applied chemical technology professionals and chemist with the NCTA winner. L. R. Dillard, J. K. Barrett, E. T. Cole, T. S. Dolphin 3:15 2. Applied chemical technology professionals and engineers. J. Miller, K. Hayslip, A. E. Pinchard 4:00 3. Applied chemical technology professionals from analyst to chemist. M. Vineyard, S. E. Large, V. Bledsoe

Equipping the 2015 Chemical Technology Workforce Applied Chemical Technology Careers Cosponsored by CTA and YCC

8:30 15. Introduction. M. K. Moore 8:45 16. Senior Research Associate. K. Hayslip 9:10 17. Research Chemist. S. E. Large 9:35 18. Quality Assurance Analyst for Higher Olefins and Derivatives. C. A. Burnley 10:00 19. Technician Associate. D. Eggers 10:25 20. Technologist. J. Miller Partnering for Innovation and Competitiveness: Opportunities for the Chemical Enterprise in Energy and Environment Sponsored by COMSCI, Cosponsored by AIChE Management Division (Group 5), ACS Corporation Associates, BMGT, CHAL, PETR, SCHB, ENGENV, ENVR, PROF, CEPA, and TECH

TUESDAY AFTERNOON Section A Marriott Convention Center Blaine Kern B Equipping the 2015 Chemical Technology Workforce Applied Chemical Technology Careers Cosponsored by CTA and YCC

M. K. Moore, Organizer C. A. Burnley, Presiding


A. I. Ahmed, Program Chair

SOCIAL EVENTS:

BUSINESS MEETING:

D. Neal, Presiding

A GREAT TEAM: Technicians, Engineers, and Chemist Cosponsored by CTA, PROF, WCC, and YCC

Division of Chemistry & the Law

Marriott Convention Center Blaine Kern B

Women Chemists in the National Inventors’ Hall of Fame: Telling Their Stories Sponsored by HIST, Cosponsored by CHED, TECH, WCC, and I&EC

Embassy Suites Convention Center Bayou Jean Lafitte Ballroom 1/2

CHAL

Luncheon: Wed Social Hour: Mon

M. K. Moore, Organizer

Section A

1:00 26. Top ten ways to find a job and how to find the hidden jobs by networking. G. J. O’Neill 1:45 27. How to prepare for the job market of the future. H. N. Cheng 2:30 28. Speed networking. D. E. Harwell 2:50 29. Career resources available from ACS. D. E. Harwell 3:35 30. Mock interview demonstration for Chemical Technicians. D. J. Eustace

Section A

SUNDAY AFTERNOON

MONDAY AFTERNOON

J. Engelman and M. K. Moore, Organizers

1:15 21. Senior Research Technician. L. R. Dillard 1:40 22. Instrumental Analyst. E. T. Cole 2:05 23. Pilot Plant Technician. A. E. Pinchard 2:30 24. The chemistry of leadership: Bridging the gap, transforming the future! C. T. Hunt 3:15 25. Senior Technologist. M. Vineyard

Executive Committee Meeting: Sun

SUNDAY MORNING Section A Morial Convention Center Rm. 243 The Many Faces of CHAL: Where Chemistry Meets the Law Cosponsored by PROF

A. I. Ahmed, Organizer, Presiding 9:00 1. U.S. patent legislation. P. Fleischut 9:30 2. Overcoming the great wall of IP in China. H. Hawkins 10:00 3. The BEST kept secret: A trade secret. A. I. Ahmed 10:30 4. Strengthening your future patent rights in light of recent federal circuit court decisions. J. M. Brown, X. Pillai

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 243 Expert Witnessing in Chemical and Pharmaceutical Cases: Making Your Case ... And Making What You’re Worth

J. J. Hasford, Organizer, Presiding 1:30 Introductory Remarks. 1:35 5. Introduction to the law of expert witnessing. S. E. Perlinger 2:05 6. Selection of scientific expert witnesses in chemical and pharmaceutical cases. J. J. Hasford 2:35 7. ChemInsight: Matching scientific experts in law and business. T. M. Smith 3:05 8. Patent infringement damages: Winning strategies. A. W. Carter, C. Dominik 3:35 Mock deposition of an expert witness.


CHAL/COLL MONDAY MORNING Section A Morial Convention Center Rm. 243 Patenting and Technology Transfer in University-Industry Collaboration: CHAL’s 25th Anniversary Series Cosponsored by AIChE Management Division (Group 5), and SCHB

T. Mildenhall, J. C. Carver, and M. Karanjikar, Organizers 9:00 9. Collaborative innovation management and knowledge integration. N. Eilerts, M. Karanjikar 9:30 10. Establishing productive university/ industry relationships. B. A. Keel 10:00 11. Working effectively with industry/ university research contracts. T. Mildenhall, R. Kaylor 10:30 Intermission. 10:40 12. Taking technology to the next level: Where’s the funding? K. J. Polk 11:10 13. Technological alliances and innovation fatigue. J. Lindsay, M. Karanjikar, C. Perkins

MONDAY AFTERNOON Section A Morial Convention Center Rm. 243

Partnering for Innovation and Competitiveness: Opportunities for the Chemical Enterprise in Energy and Environment Sponsored by COMSCI, Cosponsored by AIChE Management Division (Group 5), ACS Corporation Associates, BMGT, CHAL, PETR, SCHB, ENGENV, ENVR, PROF, CEPA, and TECH Tools for Entrepreneurs from the Kauffman Foundation Sponsored by SCHB, Cosponsored by AIChE Management Division (Group 5), CHAL, POLY, YCC, WCC, and BMGT

Morial Convention Center Rm. 243 Brand Protection and Counterfeit Identification in the Pharmaceutical Industry

B. D. Bobzien, Organizer, Presiding 1:30 24. An overview of false marking and counterfeiting intellectual property. A. I. Ahmed 2:00 25. Building a fingerprint: A stepwise approach to developing a counterfeit identification program. B. D. Bobzien 2:30 26. From cradle to grave: Developing and implementing a cutting edge brand protection program. R. E. Widup 3:00 Discussion.

1:30 14. Working with your technology transfer office. P. J. Kelleher 2:00 15. How patents differ from journal articles. J. H. Runnels 2:30 16. University technology and federal court decisions. B. J. Davis 3:00 17. Industry/university collaborations: An intellectual property attorney’s perspective. R. A. Madayag 3:30 Panel Discussion.


H. M. Peters and S. Peters, Organizers, Presiding 8:00–10:00 18. Chocolate: Food of the gods. H. M. Peters, S. Peters 19. National Inventors Hall of Fame Inductees 2007. H. M. Peters, S. Peters

TUESDAY MORNING Section A Morial Convention Center Rm. 243 Pharmaceutical Companies Dealing with The Intersection of Patents and Anti-Trust Issues

A. I. Ahmed, Organizer, Presiding 10:00 20. Paying the price: An update on the allegations of inflated drug prices by pharmaceutical companies. J. Franklin 10:30 21. Big pharma blurring the lines with big biotech. S. Vieux 11:00 22. Hot areas of global antitrust enforcement in the pharmaceutical sector: From protecting innovation markets to compulsory licensing. S. Weissmann 11:30 23. Intellectual property through an antitrust lens: An analytical framework. J. A. Ostoyich, C. G. Sarchio

The Many Faces of CHAL: Where Chemistry Meets the Law Cosponsored by PROF

10:00 34. Not so inert ingredients: Hiding risks behind trade secrets. E. T. Urbansky 10:30 35. Introduction to patent litigation in the United States. J. J. Hasford 11:00 36. So you’ve gotten a patent: Now what? K. Drake 11:30 37. Forensic environmental analysis of nanotechnology regulation. J. A. Scher, D. L. Caputo

Section A

Sci-Mix


Section A

J. C. Carver, Organizer, Presiding


Section A

J. J. Hasford, Organizer, Presiding

Careers in Chemical Information Sponsored by CINF, Cosponsored by CHAL, PROF, COMP, CEPA, and WCC

Section A

THURSDAY MORNING

TUESDAY AFTERNOON

Patenting and Technology Transfer in University-Industry Collaboration: CHAL’s 25th Anniversary Series Cosponsored by AIChE Management Division (Group 5), and SCHB

MONDAY EVENING

3:00 33. The proposed post-grant challenge: Quality control or quagmire? H. D. Hart III

COLL Division of Colloid & Surface Chemistry P. S. Cremer, Program Chair

SOCIAL EVENTS: Luncheon: Tue Social Hour/Poster Session: Mon

WEDNESDAY MORNING BUSINESS MEETINGS: Executive Committee Meeting: Sat Open Business Meeting: Mon Program Committee Meeting: Sat

Development of Solar Energy Technologies: IP Issues Cosponsored by ENGENV

SUNDAY MORNING

D. G. Lewis, Organizer, Presiding


9:30 Introductory Remarks. 9:40 27. Powering the planet: A chemical bonding center for the direct conversion of sunlight into chemical fuel. J. R. Winkler 10:10 28. The emerging role of patents in the deployment of alternative energy technologies. R. W. Fieseler 10:40 Intermission. 10:50 29. Why process claims are important for alternative energy patents. D. G. Lewis 11:20 Panel Discussion.

WEDNESDAY AFTERNOON Section A Morial Convention Center Rm. 243 A Big Dose Of Change For Patents: Is It Good Medicine For Drug Discovery?

Section A

Symposium Honoring Priestley Medal Winner Gabor Somorjai Interfaces: Electronic, Biological, Mechanical Cosponsored by CATL and PETR

P. S. Cremer and S. L. Bernasek, Organizers 9:00 1. Templating the evaporation of liquids for nanolithography. P. S. Cremer 9:35 2. Surface chemistry in nanotribology. S. H. Kim 10:10 3. Molecular level studies of buried interfaces involving polymers and biological molecules using SFG. Z. Chen 10:45 Intermission. 11:00 4. Surfaces for controlled immobilization of proteins. D. G. Castner 11:35 5. Surface-chemical and -morphological gradients. N. D. Spencer

H. D. Hart III, Organizer, Presiding 1:30 30. Getting the best patent protection for bioproducts from a changing patent office. M. B. Harlin 2:00 31. Intellectual property strategies for bioproducts. M. Stewart 2:30 32. Recalculating ROI: How will the Supreme Court’s eBay decision change the return on drug discovery investment? J. Abramic

Section B Morial Convention Center Rm. 225 Surfactants from Renewable Resources Fundamentals of Novel Surfactant Systems Cosponsored by CELL and ENGENV

R. D. Tilton and O. J. Rojas, Organizers


9:00 6. pH Dependence of adsorption of alkyl maltoside on solids. S. Lu, P. Somasundaran, J. Wu 9:40 7. Adsorbed polymer-surfactant layer structure probed using atomic force microscopy. E. Meyer, N. Ainger, N. Shaw, R. Dagastine 10:10 8. Effect of ionic derivatives of alkyl polyglycosides on its surface active properties. S. A. Momin, A. M. Ware

10:40 9. Betaine ester surfactants. K. Holmberg, D. Lundberg 11:20 10. Novel nanocomposites of hyperbranched poly(ethyleneimine), sodium dodecyl sulfate and dodecyl maltoside. R. Meszaros, A. Mezei 11:50 11. Lignins: Renewable surface-active polymers. O. J. Rojas, J. Bullon, F. Ysambertt, J. L. Salager

Section C Morial Convention Center Rm. 229/230 Structure, Property, and Function of Cell Membranes and Membrane Related Biomolecules Ion Channels and Drug Delivery

Z. Chen and W. DeGrado, Organizers R. Wang and J. C. Love, Presiding G. Tew, Organizer, Presiding 9:00 12. Surface behavior of membrane active heptapeptide-based synthetic anion transporters. E. K. Elliott, G. W. Gokel 9:20 13. Functional analysis of maxi-K potassium channels in a tethered bilayer lipid membrane system. G. O. Okeyo, C. R. Williams, R. B. Price, P. A. V. Anderson, D. Fine, A. Dodabalapur, R. S. Duran 9:40 14. An AFM approach for examining protein-protein interactions on a cell membrane. R. Wang 10:00 15. Tracking dynamics of B cell receptors by pulse-chase microfluidics. J. C. Love, E. Papa, Y-M. Kim, A. van der Veen, H. L. Ploegh 10:20 16. Reexamining the role of water as a penetration enhancer for skin delivery. G. Tan, P. Xu, L. B. Lawson, J. He, L. C. Freytag, J. D. Clements, V. T. John 10:40 17. Imaging the interactions between nanoparticles and phospholipids using ordering transition of liquid crystals. D. Hartono, K-L. Yang, L-Y. L. Yung 11:00 18. Self-assembled nanoparticles from biopolymers for DNA delivery. J. Borbely

Section D Morial Convention Center Rm. 226 Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Nanomaterials Cosponsored by PHYS and ENGENV

X. Zhu, P. Kamat, and T. Lian, Organizers 8:20 19. Using multisize arrays of colloidal CdSe quantum dots to explore charge separation and collection in QD junctions. E. A. Weiss, R. C. Chiechi, S. M. Geyer, V. J. Porter, M. G. Bawendi, G. M. Whitesides 8:40 20. Quantum dot-sensitized metal oxides: Materials assembly and electron transfer reactivity. D. F. Watson, R. S. Dibbell, J. R. Mann, G. R. Soja 9:00 21. Research in solar photoconversion: Past and future. M. T. Spitler 9:40 22. Nanowire-based quantum-dotsensitized solar cells. E. Aydil, K. Leschkies, E. Enache-Pommer, J. E. Boercker, U. Kortshagen, D. J. Norris 10:20 Intermission. 10:40 23. Influencing quantum dot blinking dynamics: Temporal, chemical and frequency domain studies. D. J. Nesbitt, J. J. Peterson, T. A. Baker, J. Rouge, V. Fomenko 11:20 24. Nanocrystal based solar cells. A. P. Alivisatos

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TECHNICAL PROGRAM

COLL Section E Morial Convention Center Rm. 227 ACS Award in Colloid and Surface Chemistry: Symposium in Honor of Lee R. White

D. T. Wasan, J. L. Anderson, and D. C. Prieve, Organizers 8:00 25. Introductory Remarks. J. L. Anderson 8:20 26. Rheology of dispersions of charged colloids: Effects of ionic strength, size, and concentration. W. B. Russel 9:00 27. Gelation and mechanics of surfactant stabilized colloids. C. F. Zukoski, R. Kramb 9:40 28. Capillary and entanglement forces in wet paper. T. van de Ven 10:20 29. Pickering emulsions stabilized by nanoparticle-grafted brushes. R. D. Tilton, K. Matyjaszewski 11:00 30. Electrocoagulation and water sustainability: Silica and hardness control. J. C. Baygents, J. M. Farrell

3:00 51. Photoexcited conductance measurements of novel porphyrin-chromophore molecular assemblies. S. U. Nanayakkara, L. Kraya, T-H. Park, M. J. Therien, D. A. Bonnell 3:20 Intermission. 3:40 52. Emission intermittency in semiconductor nanowires. M. Kuno 4:20 53. Photophysics of individual singlewalled carbon nanotubes. T. D. Krauss, L. J. Carlson, L. Huang 5:00 54. Electrochemistry of quantum dots. P. Guyot-Sionnest, P. P. Jha

MONDAY MORNING

Morial Convention Center Rm. 229/230

Section E

Structure, Property, and Function of Cell Membranes and Membrane Related Biomolecules Investigation of Membrane and Membrane Related Molecules by Fluorescence Spectroscopy and NMR


G. Tew and W. DeGrado, Organizers

D. T. Wasan, J. L. Anderson, and D. C. Prieve, Organizers

9:00 68. Probing reaction pathways on model catalyst surfaces: Vinyl acetate synthesis. W. T. Tysoe 9:35 69. Reduction of cationic Sn in SnOx/ PtSn alloy surfaces. B. E. Koel 10:10 70. Surface science studies of pyrite, FeS2, oxidation under abiotic and biotic conditions. D. R. Strongin, J. Hao, R. Murphy, M. Schoonen 10:45 Intermission. 11:00 71. Applications of surface analysis in the environmental sciences. H. Fairbrother 11:35 72. Molybdenum and tungsten hydrogen bronze reagents for the detection and neutralization of explosives. N. Materer, A. W. Apblett

3:10 39. Natural surfactants in paper recycling. K. L. Spence, O. J. Rojas, R. A. Venditti, J. Zoppe 3:40 40. Phase behavior, microstructure, and rheology of aqueous mixtures of the sugar based n-dodecyl-␤-d-glucoside and anionic sodium dodecyl sulfate surfactants. T. Hodgdon, H. Nagasawa, E. Kaler 4:20 41. Studies in biosurfactants: Sophorolipids. S. A. Momin, A. A. Prabhune, B. P. Sonchal, S. Shah, S. C. Kothekar

Section C

L. K. Tamm and A. Ramamoorthy, Presiding Z. Chen, Organizer, Presiding

George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Sponsored by PETR, Cosponsored by COLL, CATL, and FUEL Nanostructured Materials Nanocrystal Sponsored by PHYS, Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22), and COLL Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 224 Symposium Honoring Priestley Medal Winner Gabor Somorjai Surface Science of Catalysis Cosponsored by CATL and PETR

P. S. Cremer and S. L. Bernasek, Organizers 2:00 Introductory Remarks. 2:10 31. Size and shape control in heterogeneous catalysis synthesis. I. Lee, F. Zaera 2:45 32. Surface science applications in industrial catalysis: Past, present, and future perspectives. S. M. Davis 3:20 33. Metal phosphide hydrotreating catalysts: From conventionally prepared materials to supported nanoparticles. M. E. Bussell, A. W. Burns, A. F. Gaudette, K. Senevirathne, S. L. Brock 3:55 Intermission. 4:10 34. Catalytic chemistry on Au/Ni(111). S. T. Ceyer 4:45 35. High throughput study of segregation at CuPd alloy surfaces. A. J. Gellman, J. B. Miller, D. Priyadarshini, C. Matranga 5:20 36. Vanadium oxide catalysts in AAO scaffolds. P. C. Stair, H. Feng, J. W. Elam

Section B Morial Convention Center Rm. 225 Surfactants from Renewable Resources Application Properties Cosponsored by CELL and ENGENV

R. D. Tilton, Organizer 2:00 37. Extended surfactants: A friendly way to solubilize natural oils. J. L. Salager, A. Forgiarini, C. Scorzza 2:40 38. Microemulsion glass templates for nanomaterials synthesis. H. R. Dave, C. C. Co, C-C. Ho

44–TECH

2:00 42. Total internal reflection with fluorescence correlation spectroscopy. N. L. Thompson 2:30 43. Different lipid anchors recruit proteins into distinct membrane domains: A FCCS study on activated T cells. J. T. Groves 3:00 44. Combined NMR and EPR spectroscopic approaches to the structure of membrane binding protein modules. L. K. Tamm 3:30 45. Dynamical structures of membraneassociated membrane proteins, antimicrobial peptides, and amyloids. A. Ramamoorthy, J. Xu, J. Brender, K. Yamamoto, U. Dürr 4:00 46. Biophysical investigations of membrane-associated polypeptides by solidstate NMR: Applications to proteins and peptides involved in apoptosis, channel formation, antimicrobial action and transfection of nucleic acids. B. Bechinger, P. Bertani, A. Marquette, A. J. Mason, S. Nedelkina, B. Perrone, M. Prudhon, E. Salnikov, V. Vidovic, S. Werten, C. Aisenbrey 4:30 47. DNA hybridization in association with a cationic monolayer at the aqueous/ liquid crystal interface. D. K. Schwartz, A. Price 5:00 48. Structure and dynamics of vesicle membranes with peptides and proteins. N. Srividya, G. Balandaram, A. Towlerton, K. McPherson, S. Muralidharan


X. Zhu, P. Kamat, and T. Lian, Organizers 2:00 49. Quantum dot solar cells. P. V. Kamat, A. Kongkanand, K. Tvrdy, K. Takechi, M. Kuno 2:20 50. Electrochemical charging and discharging of single conjugated-polymer nanoparticles. P. F. Barbara, R. E. Palacios, A. J. Bard, F-R. F. Fan, J. K. Grey, J. Suk


ACS Award in Colloid and Surface Chemistry: Symposium in Honor of Lee R. White

2:00 55. Dynamic forces and deformations in soft matter. D. Y. C. Chan 2:40 56. Electrophoretic mobility of transiently formed micelle-DNA polyampholytes. J. W. Schneider 3:20 57. Electrolyte-dependent 2-D aggregation of colloidal particles on a planar a/c electrode. D. C. Prieve, P. J. Sides, J. A. Fagan, J. D. Hoggard 4:00 58. Compressive elasticity in polymer Couette Flow. D. E. Dunstan 4:40 59. Dynamics of polymer melts at a surface. M. L. Gee

Section F Morial Convention Center Rm. 228 Arthur W. Adamson Award for Distinguished Service in the Advancement of Surface Chemistry: Symposium in Honor of Francisco Zaera Cosponsored by CATL and PETR

W. T. Tysoe, Organizer 2:00 60. Selectivity in catalytic conversion of hydrocarbons by control of metal nanoparticle size (1-10 nm) shape and composition. G. A. Somorjai 2:25 61. Structure and enantioselectivity of chiral surfaces. A. J. Gellman, L. Baker, Y. Huang 2:50 62. Interaction and reaction of hydrocarbons with supported nanoparticles. H-J. Freund 3:15 63. Selectivity switch in N-functionalization of olefins on Au. C. M. Friend, X. Deng, X. Liu, T. A. Baker 3:40 64. Energetics of hydrocarbon adsorption on Pt(111). C. T. Campbell 4:05 65. Spectroscopic characterization of surface intermediates derived from acetylene and ethylene on Pt(111). M. Trenary, R. Deng 4:30 66. Chemistry and catalysis of Pt-Ge surface alloys. B. E. Koel 4:55 67. Reactivity trends in CO oxidation: From UHV to elevated pressures. D. W. Goodman George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Sponsored by PETR, Cosponsored by COLL, CATL, and FUEL Nanostructured Materials Nanocrystal Sponsored by PHYS, Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22), and COLL Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

Section A Morial Convention Center Rm. 224 Symposium Honoring Priestley Medal Winner Gabor Somorjai Catalysis and Environmental Surface Science Cosponsored by CATL and PETR

P. S. Cremer and S. L. Bernasek, Organizers

Section B Morial Convention Center Rm. 225 The Physical Chemistry of Environmental Interfaces Cosponsored by PHYS and ENGENV

H. Fairbrother, V. H. Grassian, F. Geiger, and J. C. Hemminger, Organizers 9:00 73. Distribution of heavy metals at the muscovite-fulvic acid solution interface. S. S. Lee, K. L. Nagy, C. Park, P. Fenter 9:20 74. Molecular dynamics simulations of water and ions at interfaces with inorganic and organic substrates. A. G. Kalinichev 9:50 75. Anion adsorption and acid/base behavior of amido acid-functionalized fused quartz/water interfaces studied by nonlinear optics. J. M. Gibbs-Davis, P. L. Hayes, J. J. Kruk, K. A. Scheidt, F. M. Geiger 10:20 76. Where oil and water mix: Molecular properties of the interface between aqueous solutions and halocarbon solvents. C. L. McFearin, D. K. Beaman, G. L. Richmond 10:50 77. Ordering of water near mineral interfaces: Recent observations, simulations, and consequences. G. Waychunas, P. Eng, S. K. Ghose, Y. R. Shen, D. Spagnoli, T. P. Trainor, L. Zhang 11:20 78. Molecules at aqueous interfaces. K. B. Eisenthal 11:50 79. Pb(II) sorption on hydrated oxide surfaces. S. E. Mason, K. Tanwar, T. P. Trainor, A. M. Chaka 12:10 80. Distinguishing mechanisms of metal uptake at carbonate mineral surfaces. R. J. Reeder 12:40 81. Ions at interfaces: Thermodynamic consequences and two-state molecular description of accumulation or exclusion. M. T. Record Jr., L. M. Pegram

Section C Morial Convention Center Rm. 229 Structure, Property, and Function of Cell Membranes and Membrane Related Biomolecules Structure and Function Relation of Membrane Related Proteins

G. Tew and W. DeGrado, Organizers J. T. Groves, Presiding Z. Chen, Organizer, Presiding


9:00 82. Plasma membrane heterogeneity and receptor-mediated signaling. B. Baird, D. Holowka

COLL 9:30 83. Membrane interactions of an intramembrane rhomboid protease. A-N. Bondar, S. H. White 10:00 84. Membrane and vesicle interactions of cytochrome c. C. L. Bergstrom, J. Su, J. T. Groves 10:30 85. Single molecule studies of PH and C2 domain docking to model membranes. J. Knight, J. J. Falke 11:00 86. Spatiotemporal regulation of cellular processes by lipids and lipid-binding proteins. W. Cho 11:30 87. Real-time nanoscale quantification of changes in mass and flexibility of biological molecules: A review. M. A. Poggi, H. L. Way

Section D Morial Convention Center Rm. 226 Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Organics/Polymer Cosponsored by PHYS and ENGENV

X. Zhu, P. Kamat, and T. Lian, Organizers 8:20 88. Buried surface electronic states of MEH-PPV studied by 2-D IR-visible sum frequency generation. Q. Li, R. Hua, K. C. Chou 8:40 89. Determining charge carrier identity, concentration, and mobility in organic semiconductor devices by in situ optical spectroscopy. L. G. Kaake, T. J. Mills, X-Y. Zhu 9:00 90. Interfacial electron transfer in tandem “plastic” solar cells. A. J. Heeger 9:40 Intermission. 10:00 91. The importance of P3HT crystallite orientation for charge transport in solar cells. M. D. McGehee, A. C. Mayer, B. E. Hardin, M. F. Toney 10:40 92. Charge photogeneration in polymer/fullerene solar cells. J. R. Durrant 11:20 93. Electronic structure of organicorganic heterojunctions. W. Zhao, A. Kahn

Section E Morial Convention Center Rm. 227 Arthur W. Adamson Award for Distinguished Service in the Advancement of Surface Chemistry: Symposium in Honor of Francisco Zaera Cosponsored by CATL and PETR

W. T. Tysoe, Organizer 8:00 94. Chiral self-assembled monolayers on graphite. S. L. Bernasek 8:25 95. Diastereoisomer interactions in adsorbed species: Role of the substrate. N. V. Richardson 8:50 96. Enantioselectivity by cinchona alkaloids: A dialogue between spectroscopy and catalysis. D. Ferri, A. Vargas, A. Baiker 9:15 97. Enantioselectivity in chiral monolayers. K-H. Ernst 9:40 98. First principles studies of chiral modifiers on Pd(111) and adsorption on quartz(0001). D. S. Sholl, J. N. James, J-W. Han 10:05 99. Heterogeneous asymmetric hydrogenation of C=C bonds. D. J. Watson, R. B. R. John-Jesudason, J. W. Burton, R. M. Lambert 10:30 100. Mirror-symmetry breaking at chiral surfaces: From nanoscale events to macroscale amplification. R. Raval


10:55 101. Surface science studies of the origins of rate-acceleration and enantioselection in the hydrogenation of ketones on chirally modified platinum. P. H. McBreen 11:20 102. Understanding enantioselectivity on single crystal surfaces in ultrahigh vacuum. L. A. Burkholder, F. Gao, W. T. Tysoe George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Sponsored by PETR, Cosponsored by COLL, CATL, and FUEL Nanostructured Materials Nanocrystal Sponsored by PHYS, Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22), and COLL Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

MONDAY AFTERNOON Section A Morial Convention Center Rm. 224 Symposium Honoring Priestley Medal Winner Gabor Somorjai Electronic, Biological, and Mechanical IE,IB,IM Cosponsored by CATL and PETR

P. S. Cremer and S. L. Bernasek, Organizers 2:00 Introductory Remarks. 2:15 103. Surface modification for improved organic electronic devices. S. L. Bernasek 2:50 104. Interfacial engineering of functional electronic and biomedical devices. D. H. Gracias 3:25 105. Interfaces in nanoelectronics. E. Garfunkel 4:00 Intermission. 4:15 106. Suface chemistry of nanoscale assemblies in confined geometries. J. D. Batteas 4:50 107. Sum frequency generation spectroscopy and imaging of alkanethiol monolayers on gold and mild steel surfaces. S. Baldelli, K. Cimatu


H. Fairbrother, V. H. Grassian, F. Geiger, and J. C. Hemminger, Organizers 2:00 108. Sum frequency generation imaging microscopy of corrosion on metal surfaces. S. Baldelli, K. Cimatu 2:30 109. What determines the wettability of a surface? M. Salmeron 3:00 110. Interfacial-force heterogeneity induced by dissolved oxygen on rhodochrosite. C. Na, S. T. Martin 3:20 111. Long-range electron transfer between bacterial multiheme cytochromes and hematite (001) surfaces. N. S. Wigginton, K. M. Rosso, M. F. Hochella Jr., A. G. Stack 3:40 112. Computational prediction of kinetics of processes at mineral-water interfaces and aqueous ions. A. G. Stack 4:10 113. Cell-mineral interfacial forces in adhesion and membrane self-assembly. N. Sahai, T. A. Oleson, M. J. Stevens, J. A. Last 4:40 114. Sonochemically enhanced PFOS and PFOA bubble surface activity. C. D. Vecitis, H. Park, J. Cheng, T. Campbell, B. Mader, M. R. Hoffmann 5:00 115. Single molecule studies of diffusion at solid/liquid interfaces. D. K. Schwartz, A. Honciuc

Section C Morial Convention Center Rm. 229 Structure, Property, and Function of Cell Membranes and Membrane Related Biomolecules Investigation of Membrane and Membrane Related Molecules by Nonlinear Optical Spectroscopy

G. Tew and W. DeGrado, Organizers S. Ye, Presiding Z. Chen, Organizer, Presiding 2:00 116. From liposomes to live nerve cells. K. B. Eisenthal 2:30 117. Real-time resolved observation of molecular transport through living cell membranes by optical second harmonic generation. H-L. Dai, J. Zeng 3:00 118. The properties of lipid bilayers with pH, salts, and osmolytes. P. S. Cremer 3:30 119. Structural study on lipid bilayer interface by sum frequency generation (SFG) spectroscopy. S. Ye, Y. Tong, T. Nishida, Y. Zhao, N. Li, S. Sterling, E. Tyrode, M. Osawa 4:00 120. Probing membrane peptides using isotope labeling and 2-D IR spectroscopy. M. T. Zanni 4:30 121. Molecular level investigations of membrane: Peptide interactions and membrane protein orientations in situ in real time. Z. Chen 5:00 122. Static and time resolved vibrational sum frequency spectroscopy studies of membrane bound water. R. K. Campen, A. Ghosh, M. Sovago, M. Bonn

Section D Morial Convention Center Rm. 226 Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Photochemistry and Photocatalysis Cosponsored by PHYS and ENGENV

X. Zhu, P. Kamat, and T. Lian, Organizers 2:00 123. Ultrafast dynamics of electron transfer and solvation processes at ammonia and water ice/metal interfaces. M. Wolf 2:40 124. Photochemistry on TiO2: Mechanistic studies of O2 photodesorption. J. T. Yates Jr. 3:20 125. Multielectron generation and reactivity at sensitized TiO2 interfaces. G. J. Meyer, S. Ardo, J. Rowley 4:00 Intermission. 4:20 126. Visible light photooxidation of Mn complexes covalently attached to TiO2. R. Snoeberger, C. W. Cady, G. W. Brudvig, R. Crabtree, C. A. Schmuttenmaer, V. Batista 5:00 127. Plasmon excitations in silver nanoclusters on and within TiO2 for photochemistry. F. Wang, F. Womack, A. Sekharan, J. C. Garno, P. T. Sprunger, R. L. Kurtz 5:20 128. Photochemical hydrogen evolution from water using CdSe nanoribbons as catalysts. F. A. Frame, M. Sarahan, E. C. Carroll, D. S. Larsen, N. D. Browning, F. E. Osterloh 5:40 129. Electron transfer dynamics at the ZnO (10-10) surface. W. A. Tisdale, M. Muntwiler, D. J. Norris, E. Aydil, X. Zhu

Section E Morial Convention Center Rm. 227 Electrochemistry-Enabled Nano S&T Catalysis@Nano

J. W. Long, D. R. Rolison, K. J. Stevenson, J. Macpherson, and H. S. White, Organizers 2:00 130. Trends in the stability of electrocatalytic alloys from first principles. J. P. Greeley, J. K. Nørskov

2:35 131. Electrochemical reactions of nanoparticles: A design tool for expanding complexity in nanoscale systems. R. E. Schaak 3:10 132. Theoretical studies of nanoparticles for oxygen reduction. W. Tang, G. Henkelman 3:30 133. The effect of size, shape and composition on the properties of metal nanoparticles. G. V. Hartland, H. Staleva 4:05 134. Activity of Pt nanoparticles: Surface atomic structure and electronic structure. Y. Shao-Horn 4:40 135. LBL Assembly of metal nanoparticles and polyoxometalates for oxygen reduction. J. Xin, C. Shannon George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Sponsored by PETR, Cosponsored by COLL, CATL, and FUEL Nanostructured Materials Interface Sponsored by PHYS, Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22), and COLL Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

MONDAY EVENING Section A Morial Convention Center Rm. 244/245 Fundamental Research in Colloid and Surface Chemistry

R. Nagarajan, Organizer, Presiding 6:00–8:00 136. Cashew nut shell liquid (CNSL) based surfactants. S. A. Momin, A. M. Ware 137. Solvent-dependent friction response of poly(ethyleneimine)-graft-poly(ethylene glycol) brushes investigated by atomic force microscopy. M. A. Brady, F. T. Limpoco, S. S. Perry 138. Friction of polyaromatic thiol monolayers. Y. Yang, M. Ruths 139. Ionic polymer boundary lubricating film with self-healing capability. E. Hsiao, N. D. Spencer, S. H. Kim 140. Mechanical and tribological properties of skin’s outermost barrier (stratum Corneum): From the local to the macroscopic level. N. Baghdadli, A. Potter, G. S. Luengo 141. Nanomechanical properties of Strombus Gigas conch shell. L. Romana, P. Bilas, D. Aldana Aranda 142. Quantifying molecular-level interactions between pseudomonas aeruginosa and natural organic matter. L. Abu-Laila, T. Camesano 143. Toward development of ultrathin sensors based on fluorescent polymer film. V. Tsyalkovsky, Z. Combs, I. Luzinov 144. Effect of pH on conformation and composition of Listeria monocytogenes’ surface. B-J. Park, N. I. Abu-Lail 145. An electrochemical STM study of Pt and Pt alloy films. Q. Xu, E. Kreidler, T. He, K. Sieradzki 146. Antibody-conjugated gold nanoparticles for detection of pathogens in water. T. Asefa, A. J. Di Pasqua, Y-L. Shi, J. C. Dabrowiak 147. Assembly and evaluation of liposomes encapsulating methotrexate and conjugating epidermal growth factor. I. Sato, K. Kawakami, S. Takeoka 148. ATR-FTIR investigation of p-cresol on alumina-supported cobalt oxide catalysts. C. W. Din, K. A. Layman 149. Biocatalytic microcontact printing. B. N. Vogen, M. Johannes, P. W. Snyder, R. L. Clark, E. J. Toone 150. Bis[3-(Triethoxysilyl)propyldisulfide] derived silica aerogel. H. Guo, D. Scheiman, B. N. Nguyen, M. A. Meador 151. Breakdown of nitramine (RDX, HMX) and nitroaromatic (TNT) explosives on soil surfaces. T. Douglas, M. E. Walsh, T. P. Trainor, A. Jones, C. J. McGrath, C. Weiss

TECH–45

COLL 152. Carbazole monomer tethered with a photoactive group: Precursors for grafting polymers. M. C. Tria, J. Y. Park, R. Advincula 153. Catalytic oxidation of alcohols over monodisperse (WO3)3 clusters on TiO2(110) model catalyst. Y. K. Kim, J. M. White, B. D. Kay, Z. Dohnálek 154. Centrifugal adhesion balance (CAB): A novel surface characterization technique. R. Tadmor, L. L. X. Dang, P. Bahadur, A. Leh, K. Chaurasia 155. Characterizing Au nanoparticles by small-angle X-ray scattering in microscale flow reactors. L. C. McKenzie, P. Haben, S. D. Kevan, J. E. Hutchison 156. Characterizing pathogenic strains of Escherichia coli and their interactions with antimicrobial peptides. A. L. Kadilak, J. A. Strauss, T. A. Camesano 157. Charge transfer mechanism shift of hybrid CdSe nanoparticles in carbazole dendron boxes by electropolymerization. Y. Park, P. Taranekar, J. Y. Park, A. Baba, T. M. Fulghum, R. C. Advincula 158. Chasing drops: Following escaper and pursuer drop couple systems. A. Leh, R. Tadmor, P. Bahadur, P. S. Yadav, K. Chaurasia, L. L. X. Dang 159. Chemoselective hydrogenation of cyclic ketones by colloidal platinum nanocatalysts. C. A. Kauffman, A. L. Marsh 160. Controlled scalable synthesis of zinc oxide nanoparticles. K. J. Hartlieb, C. L. Raston, M. Saunders 161. DFT-FPT based prediction of the active O coverage on Pt(111) for NO oxidation catalysis. R. B. Getman, W. F. Schneider 162. Discrimination of hetero-surface for selective modification of the free-standing polysaccharide nanosheet in the utilization of structural color. T. Fujie, Y. Okamura, S. Takeoka 163. Drop retention force as a function of drop size. A. Leh, R. Tadmor, P. S. Yadav, P. Bahadur, K. Chaurasia 164. Drop retention force as a function of rested time. P. Bahadur, R. Tadmor, A. Leh, K. Chaurasia, L. L. X. Dang 165. Effect of spacer on protein binding efficiency of aptamer monolayers. B. Subramanian, N. A. Gariano, D. A. Spivak, S. A. Soper 166. Effect of surface structure on interaction of water with silica surfaces. V. V. Pushkarev, P. J. Sides, A. J. Gellman 167. Examination of cell surface proteins in the process of hES cell differentiation. D. Qiu, J. Xiang, R. Wang 168. Facile route to microemulsion characterization via QCM-D. T. J. Lane, M. S. Johal 169. Formation mechanism of polyaniline with 1-D nanostructure produced on the W-O interface. Q. Zhang, M. Zhu, W. Li, D. Chen 170. Freestadning lipid membranes tethered to a gel. T-J. Jeon, N. Malmstadt, J. L. Poulos, J. J. Schmidt 171. Storable and transportable lipid bilayer membrane precursor. T-J. Jeon, J. L. Poulos, J. J. Schmidt 172. High throughput lipid membrane technologies. J. L. Poulos, T-J. Jeon, J. J. Schmidt 173. Friction of ice investigated under ultrahigh vacuum conditions. X. Zhao, S. S. Perry 174. Functionalized silica nanostructures: New materials for diagnostic and drug delivery applications. P. C. DeMuth 175. Gold nanorods as nanoadmicelles: 1-Naphthol partitioning into the CTAB bilayer. C. J. Murphy, A. Alkilany 176. Gold nanoshells with soft polymer cores. S. Rittikulsittichai, G. Leem, T. R. Lee 177. Gold-coated magnetic nanoparticles. W. W. Bryan, T. R. Lee 178. In-depth investigation of the effects of wettability and surface topography on protein adsorption and bacterial adhesion. A. M. DiCiccio, W. Chen 179. Inkless microcontact printing on functionalized self-assembled monolayers. A. A. Shestopalov, R. L. Clark, E. J. Toone


46–TECH

TECHNICAL PROGRAM 180. Interaction of bovine serum albumin with modified silica surfaces. R. Madathingal, S. Wunder 181. Interaction of chicken egg lysozyme with modified silica surfaces. R. Madathingal, S. Wunder 182. Intermolecular interaction-induced hierarchical transformation in 1-D nanohybrids. H. Park, W. H. Hong 183. Intrinsic diffusion of hydrogen on TiO2(110). S-C. Li, J. M. White, Z. Zhang, B. D. Kay, Z. Dohnálek 184. Investigation and application of chlamydomonas reinhardtii for accumulation of lead (II) from freshwater. T. J. Stewart, N. T. Flynn, D. J. Brabander, M. M. Allen 185. Investigation of cadherin-E in hES cells. Z. Li, D. Qiu, J. Xiang, R. Wang 186. Isotherm studies of tri-headed dendritic amphiphiles at the air/water interface. J. H. Sim, W. Lee, A. A. Williams, R. D. Gandour, A. R. Esker 187. Layer-by-layer deposition of hybrid inorganic-organic thin films with electrochemical cross-linking. A. F. Frau, T. J. Lane, C. R. Ayers, T. M. Fulghum, R. C. Advincula 188. Liesegang pattern formation of gold nanoparticles via reduction in poly(vinyl alcohol) hydrogel matrices. I. Yoon, W. Chen 189. Lubrication of silicon oxide surfaces via equilibrium adsorption of alcohol vapor in humid environments. D. B. Asay, E. Hsiao, M. Janik, M. T. Dugger, J. A. Ohlhausen, S. H. Kim 190. Mechanistic insights into ketone hydrogenation from studies using model platinum nanocatalysts. J. K. Navin, A. L. Marsh 191. Metal-metal nanoparticles that absorb strongly in the near infrared. V. Vongsavat, T. R. Lee 192. Modification of self assembled monolayers with atomic hydrogen. J. Gorham, B. Smith, J. D. Wnuk, A. Stover, H. Fairbrother 193. Monolayer formation of DPAA at the air/water interface. S-Y. Lee, H. Moon, D. Kim, Y. K. Han, D. Sohn 194. Monolayer-protected nanoparticle film assemblies as platforms for controlling interfacial and adsorption properties in protein monolayer electrochemistry. A. Loftus, K. P. Reighard, M. C. Leopold 195. Nanopatterned arrays of rings of metal nanoparticles produced by particle lithography. G. Castro, W. Serem, A. Varotto, C. M. Drain, J. C. Garno 196. New tris-chelating self-assembled monolayer (SAM) adsorbates offer enhanced protection for surfaces and nanoparticles. S. Rittikulsittichai, T. R. Lee 197. NO2 and dimethyl ether (DME) reaction on Al2O3 as a catalyst. E. Ozensoy, D. Herling, J. Szanyi 198. NSET Probe for rapid and ultrasensitive detection of mercury. G. K. Darbha, P. Ray 199. One-step approach toward well-defined bimetallic nanoparticles. K. E. Crawford, S. O. Obare 200. Optimal separation times for biomacromolecules in a Couette-based/electrophoretic separation device: Effects of capillary wall velocities. J. A. Pascal, M. A. Oyanader, P. E. Arce 201. Oxygen reduction activity of Pt3Co nanoparticles: Surface atomic structure and electronic structures. S. Chen, P. J. Ferreira, L. Allard, W. C. Sheng, N. Yabuuchi, Y. Shao-Horn 202. Particle size effect on the instability and activity of carbon-supported platinum catalysts in an acidic environment. W. Sheng, S. Chen, Y. Shao-Horn 203. Periodic arrays of ferritin nanopatterns imaged using magnetic sample modulation AFM. S. L. Daniels, J. N. Ngunjiri, S. Xu, J. C. Garno 204. Periodic density functional theory investigation of the ethanol dehydrogenation mechanism of over Pd(111), Rh(111) and Ni(111) catalysts. S. E. Burns, A. P. Goldstein, D. Lucas, R. Letterman, S. A. Wasileski 205. Phase imaging of periodic arrays of proteins produced by particle lithography. J. N. Ngunjiri, S. L. Daniels, J. C. Garno

206. Photocatalytic degradation of 2-chlorophenol by undoped and doped colloidal zinc sulfide nanocrystals. M. W. Porambo, A. L. Marsh 207. Photochemical reactivity of silicon: The role of electron photoemission as a reaction initiator. J. A. Streifer, P. Colavita, X. Wang, P. Warf, R. J. Hamers 208. Physicochemical properties of Langmuir monolayers composed of phospholipid, sphingolipid, and oxysterol. J. Fraser, A. B. Serfis 209. Preparation and evaluation of semipermeable sol-gel coatings on metallic nanoparticles. S. L. Dean, C. D. Keating 210. Preparation of a superhydrophobic film on PMMA micro lens arrays. Y-W. Choi, S. Eom 211. Protein adsorption on PEG-modified surfaces: A quartz crystal microbalance study. R. Pernites, M. J. Felipe, M. C. Tria, G. Jiang, R. Advincula 212. Protein folding of amyloid like peptides and their interactions with peptide nanotubes and nanovesicles. M. M. Henricus, C. Schwall, M. P. Dabakis, E. Smoak, I. A. Banerjee 213. Protein separation based on polymer brush approach. O. Hoy, B. Zdyrko, I. Luzinov 214. Quartz crystal microbalance with dissipation monitoring (QCM-D), a new way of characterizing and quantifying events at or near surfaces and in thin films. M. A. Poggi, H. L. Way 215. Role of carbonaceous deposits in olefin conversions with hydrogen: cis-2-butene Isomerization vs. hydrogenation on the Pd/Fe3O4 model catalyst. S. Schauermann, B. Brandt, J-H. Fischer, W. Ludwig, J. Libuda, F. Zaera, H-J. Freund 216. Self-assembly of pyridyl-substituted porphyrins investigated in situ using AFM. Z. M. LeJeune, M. E. McKenzie, E. Hao, M. G. H. Vicente, B. Chen, J. C. Garno 217. Shape and size dependent SERS effect of silver nanoparticles in solutions. O. Tovmachenko, U. S. Rai, P. Ray 218. Short-time synthesis of SBA-15 and SBA-16 with controllable morphology under refluxing conditions. Y. Yang, X. Liu, H. Sun 219. Site-selective adsorption of metals on silane nanopatterns. J-R. Li, J. C. Garno 220. Solvent condensation from ambient vapor environments on self-assembled monolayers on silver. H. Yoo, J. E. Pemberton 221. Specific ion effects on molecular orientation at surfaces and interfaces. S. C. Flores, X. Chen, P. S. Cremer 222. Stability of aminosilane-functionalized silicon surfaces in aqueous media. E. A. Smith, W. Chen 223. Stabilization of gold nanoparticles by poly(vinyl alcohol). A. M. Strickland, W. Chen 224. Stable, multilayer film assemblies of aqueous nanomaterials with polymeric linking mechanisms. R. W. Day, A. A. Galyean, M. C. Leopold 225. Structural study of amino-acid based cationic lipids for development of plasmid DNA carriers. Y. Obata, S. Takeoka 226. Structure and thermodynamics of cationic lipids/DNA complexes. T. Nishimura, K. Sakurai 227. Study of the behavior of miscible and partially miscible systems using spinning drop tensiometry. G. Viner, J. A. Pojman 228. Surface and interfacial studies of plant cuticular membranes. A. Pravitasari, C-Y. Chang, T. Isaacson, A. J. Matas Arroyo, J. Rose, J. D. Batteas 229. Surface charge density of niobium oxide in aqueous solutions. F. A. Rodrigues, J. D. S. Venâncio 230. Surface modification of polymeric films, fibers, and membranes via “grafting to” method. O. Burtovyy, R. Burtovyy, V. Klep, I. Luzinov 231. Surface tension of aqueous organic solutions: Which phase is more important, liquid or vapor? A. Prpich, M. Biswas, P. Chen 232. Surface-enhanced Raman spectroscopy of Al2O3 and TiO2 catalyst supports fabricated by atomic layer deposition. K. M. Kosuda, P. C. Stair, R. P. Van Duyne

233. Surface-initiated ring-opening metathesis polymerization of norbornene. N. N. Lokko, W. Chen 234. Synthesis and characterization of a polyelectrolyte anionic macroinitiator for ATRP: Layer-by-layer functionalization and the subsequent surface-initiated polymerization. F. M. Tran, N. C. Estillore, T. M. Fulghum, R. C. Advincula 235. Synthesis and characterization of lineardendron macromolecules. M. J. Felipe, R. Ponnapati, J. Y. Park, J. Gouquian, R. Advincula 236. Synthesis and characterization of selfassembled monolayers on gold generated from a series of specifically fluorinated phenyl-terminated alkanethiols. A. C. Jamison, T. R. Lee 237. Synthesis and characterization of selfassembled monolayers on gold generated from unsymmetrical partially fluorinated spiroalkanedithiols. P. Chinwangso, T. R. Lee 238. Synthesis and tuning of bimodal mesoporous silica by combined hydrocarbon/ fluorocarbon surfactant templating. S. E. Rankin, R. Xing, B. L. Knutson, H-J. Lehmler 239. Synthesis of dodecyl-2-hydroxy-1-proply sulfobetaine. J. Wang Sr., X. Yang Sr., G. Li Sr., Y. Shi, Z. Zhang, L. Lihui 240. Synthesis of magnetic nanotubes as magnetic resonance imaging contrast agents and in vitro cytotoxicity and cell labeling. X. Bai, S. J. Son, W. Liu, E. K. Jordan, J. A. Frank, S. Zhang, T. Venkatesan, A. Nan, H. Ghandehari, S. B. Lee 241. Synthesis of new multifunctional amine oxide type surfactants having dual function of cleaning and skin/fabric care effects. J-C. Lim, J-S. Kim, I-S. Cho, K-M. Lee, G-Y. Chi, D-S. Han, K-M. Yoo 242. Synthesis, characterization, and photocatalytic activity of zinc sulfide nanocrystals capped by amino acids. C. M. Berg, A. L. Marsh 243. Temperature dependence of rheology of viscoelastic surfactant systems due to micellar structure transition. S. Lu, P. Somasundaran, Z. Wei 244. Temporal changes in functional activity of adsorbed fibrinogen measured by adhesion mode AFM. P. Soman, L-C. Xu, J. Bauer, Z. Rice, C. A. Siedlecki 245. The effects of surface wettability, contact time, and loading rate on protein adhesion to surfaces. L-C. Xu, C. A. Siedlecki 246. The influence of salt identity on the liquid – vapor interface of alkali halide solutions in ethylene glycol. M. J. Krisch, Y. C. Marrs, J. C. Hemminger, S. Baldelli 247. Thermal stability of mono-, bis-, and tris-chelating alkanethiol-based SAMs on gold. L-O. Srisombat, S. Zhang, T. R. Lee 248. Thermoresponsive microparticle gels for electrophoresis: Poly-n-isopropylacrylamide-microparticle templated page. J. Thompson, H. Stretz, P. E. Arce 249. Tuning the properties of gold atoms and clusters by the thickness of MgO(001)films. T. Risse, M. Sterrer, M. Heyde, N. Nilius, G. Pacchioni, H-J. Freund 250. Unsymmetrical phosphatidyl choline derivatives for use as 2-D surfactants in monolayer films. Z. Zhang, S. Trabelsi, D. K. Schwartz, T. R. Lee 251. Using patterned arrays of metal nanoparticles to probe plasmon enhanced luminescence of CdSe quantum dots on GaAs. Y-H. Chan, J. Chen, A. Pickett, S. E. Wark, R. P. Mirin, D. H. Son, J. D. Batteas 252. Well-ordered ultrathin Pd films: Preparation, characterization, and electrochemical reactivity. M. A. Hossain, J. Cruz Jr., D. Li, K. D. Cummins, M. Cruz-Quiñones, M. P. Soriaga


COLL 253. Effect of nanocolloidal dispersion on activated kinetics of (LC1-xSilx) system. D. Sharma

Section B Morial Convention Center Rm. 244/245 Polymer-Nanoparticle Systems: Theory, Simulation, Experiments

R. Nagarajan and A. C. Balazs, Organizers 6:00–8:00 254. Aliphatic ring-terminated self-assembled monolayers on gold. D. Barriet, Y. Yuan, T. R. Lee 255. Impact of polymer crosslinking on the stability of nanoparticles. X. Liu, A. Basu 256. Nanotubes of block copolymer micelles fabricated from anodized aluminum oxide templates. S-M. Jeon, S-H. Lee, J-H. Kim, B-H. Sohn 257. Preparation of polystyrene-polyvinyl alcohol nanoparticles in microemulsion. L. Zhao, G. Li 258. Quantum dots and fluorescent dyes arranged in single-layered films of diblock copolymer micelles. S-H. Bae, S-M. Jeon, B-H. Sohn

Section C

270. Kinetics of early nucleation and growth of iron oxide nanoparticles at mineral-water interfaces. Y-S. Jun, G. A. Waychunas, B. Lee 271. New measurements of high supersaturations to shape understanding of ice cloud nucleation. M. G. Trainer, E. J. Jensen, O. B. Toon, M. A. Tolbert 272. Ozone oxidation of self-assembled monolayers on silicon oxide thin layers on silicon and zinc selenide surfaces. O. Ryder, T. M. McIntire, A. S. Lea, P. L. Gassman, B. J. Finlayson-Pitts 273. Sorption chemistry of an environmental tobacco smoke (ETS) analog on indoor surfaces. C. C. Chusuei, M. Ongwandee, G. C. Morrison 274. Surface structure and composition of oxidized and reduced hydrated magnetite (111). S. C. Petitto, K. Tanwar, S. K. Ghose, P. Eng, T. P. Trainor 275. The effect of electrolyte on the aggregation and deposition kinetics of boron nanoparticles. X. Liu, M. Wazne, C. Christodoulatos, K. Jasinkiewicz

TUESDAY MORNING Section A Morial Convention Center Rm. 228 Colloid Award Winners Symposium

Morial Convention Center Rm. 244/245 Structure, Property, and Function of Cell Membranes and Membrane Related Biomolecules

Z. Chen, G. Tew, and W. DeGrado, Organizers 6:00–8:00 259. Development of a sensitive micromagnetic chemiluminescence enzyme immunoassay for the determination of Verotoxin II. Y. Guo, Z. Li, N. He 260. Development of a sensitive micromagnetic chemiluminescence enzyme immunoassay for the determination of Verotoxin°€. Y. Guo, Z. Li, N. He 261. Optimization fermentation conditions for antibacterial proteins of resistance to Erwinia carotovora var.carotovora of bacillus subtilis mutants. Z. Li, N. He 262. Supported bilayer lipid membranes on photopatterned self-assembled monolayers. X. Han, K. Sheikh, S. N. Pradeep, K. Critchley, R. J. Bushby, S. D. Evans

Section D Morial Convention Center Rm. 244/245 The Physical Chemistry of Environmental Interfaces Cosponsored by PHYS and ENGENV

H. Fairbrother, F. Geiger, V. H. Grassian, and J. C. Hemminger, Organizers 6:00–8:00 263. Air-liquid interfaces of aqueous metalnitrate solutions. M. Xu, J. P. Larentzos, L. J. Criscenti, H. C. Allen 264. Ba-containing Al2O3 NOx storage materials: Correlation between the model and high surface area catalysts. C-W. Yi, J. H. Kwak, C. H. F. Peden, J. Szanyi 265. Buffer effect on protein adsorption on solid surfaces. T. Wei, S. Kaewtathip, K. Shing 266. Chemical imaging of corrosion: Sum frequency generation imaging microscopy of gold surface in cyanide solution. K. Cimatu, S. Baldelli 267. Design and fabrication of microtextures for inducing a superhydrophobic phenomenon on hydrophilic materials. D. Gao, L. Cao, A. Cao, H-H. Hu 268. Effect of phosphate complexation on cadmium ion sorption by manganese dioxide. M. I. Zaman, S. Mustafa, S. Khan, B. Xing 269. Interaction of HNO4 with ice surfaces. T. Bartels-Rausch, T. Huthwelker, J. Graell, M. Ammann

P. S. Cremer, Organizer 9:00 Speaker Introduction. 9:05 276. Award Address (Arthur W. Adamson Award for Distinguished Service in the Advancement of Surface Chemistry, sponsored by the American Chemical Society). Mechanisms of hydrocarbon conversion catalysis: Regioselectivity, stereoselectivity, and enantioselectivity. F. Zaera 10:00 Speaker Introduction. 10:05 277. Award Address (ACS Award in Colloid and Surface Chemistry, sponsored by Procter & Gamble Company). Why don’t AFM tips bounce upon jump-in? L. R. White 11:00 Speaker Introduction. 11:05 278. Award Address (The Priestley Medal, sponsored by the American Chemical Society). Frontiers of surface chemistry. G. A. Somorjai


H. Fairbrother, V. H. Grassian, F. Geiger, and J. C. Hemminger, Organizers 9:00 279. Organic films at the air-water interface as models for atmospheric organic aerosols. V. Vaida 9:30 280. OH aging of organic aerosols. K. R. Wilson, J. D. Smith, S. R. Leone, M. Ahmed 10:00 281. Organic surfaces in aerosols and their microphysical significance. Y. Rudich 10:30 282. Organic films at the gas-aerosol interface. V. F. McNeill, M. R. Giordano, J. Thornton 11:00 283. Chemical probes of atmospherically relevant particle and ice surfaces. J. Thornton, J. P. Kercher, R. Yatavelli, V. F. McNeill, G. M. Wolfe 11:30 284. Structure and chemistry at airaqueous interfaces. H. C. Allen 12:00 285. Alkyl halides at the air/water interface. B. Minofar, M. Roeselová 12:20 286. Water interactions with mixed alkane thiol monolayers of tuned hydrophobic and hydrophilic character. R. L. Grimm, N. M. Barrentine, J. C. Hemminger 12:50 287. Characterization of water uptake on atmospherically relevant surfaces. S. G. Moussa, T. M. McIntire, M. Roeselová, M. Szori, N. Sengupta, D. J. Tobias, J. D. Raff, B. J. Finlayson-Pitts

Section C Morial Convention Center Rm. 229 Structure, Property, and Function of Cell Membranes and Membrane Related Biomolecules Interactions Between Molecules and Membranes

Z. Chen and W. DeGrado, Organizers R. B. Hill, Presiding G. Tew, Organizer, Presiding 9:00 288. Novel membrane active hostdefense peptides and ultrashort lipopeptides: Mode of action and in vitro and in vivo activities toward bacteria fungi and cancer. Y. Shai 9:30 289. Understanding the mechanism of membrane-mediated helix folding. F. Gai 10:00 290. Capturing antimicrobial peptide activity in simpler molecules. G. Tew 10:30 291. Polymer nanoparticle interactions with cell membranes. M. Banaszak Holl, J. Chen, B. W. Erickson, C. V. Kelly, P. R. Leroueil, M. G. Liroff, B. G. Orr 11:00 292. Evolutionarily conserved membrane activity of Bcl-2 proteins. F. J. Tan, J. E. Zuckerman, A. Z. Fire, R. B. Hill 11:30 293. Structural basis for the function and pharmaceutical inhibition of influenza virus proton channels. W. DeGrado

10:00 302. Synthesis of heterodimeric sphere-prism nanostructures via metastable gold supraspheres. R. Klajn, B. A. Grzybowski 10:20 303. Synthesis of polystyrene colloidal particles loaded with rare-earth doped inorganic nanoparticles and characterization of the resulting photoluminescent polymerized crystalline colloidal arrays. D. D. Evanoff Jr., B. Kokuoz, S. Foulger, J. Ballato 10:40 304. Systematic investigation of preparing biocompatible, single, and small ZnS-capped CdSe quantum dots with amphiphilic polymers. R. E. Anderson, W. C. W. Chan 11:00 305. Tailoring the scattering properties of particle additives using atom transfer radical polymerization. M. Bockstaller, L. Bombalski, H. Dong, K. Matyjaszewski 11:20 306. Understanding the silver nanoparticle growth via first principle methods. G. Mpourmpakis, D. G. Vlachos 11:40 307. “Turning the corner” on controlled molecular nanostructure formation on hydrogen-terminated silicon surfaces. G. A. DiLabio Nanostructured Materials Energy Sponsored by PHYS, Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22), and COLL Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

Section D TUESDAY AFTERNOON Morial Convention Center Rm. 226 Electrochemistry-Enabled Nano S&T Transport and Dynamics@Nano

J. W. Long, D. R. Rolison, K. J. Stevenson, J. Macpherson, and H. S. White, Organizers 9:00 294. Electrical studies of single nanocrystals. A. P. Alivisatos 9:35 295. Molecular adsorption and desorption events probed by frequency domain measurements at atom-scale junctions prepared by self-limiting electrodeposition. P. W. Bohn, P. Shi 10:10 296. Electrochemical gate-controlled charge transport in single molecules. N. Tao 10:45 297. Ion limited charging of nanoparticle thin films. B. M. Quinn, V. Ruiz, T. Laaksonen 11:20 298. Autonomous nanoscale motion through catalysis. A. Sen

Section E Morial Convention Center Rm. 227 Polymer-Nanoparticle Systems: Theory, Simulation, Experiments Surface Modified Nanoparticles

R. Nagarajan and A. C. Balazs, Organizers J. Pyun, Presiding 9:00 299. Functionalized surfaces as templates for in situ formation of gold nanoparticle catalyst. K. Bandyopadhyay, M. Khalid, N. Wasio 9:20 300. Polyvalent DNA-gold nanoparticle conjugates exhibit particle size-dependent cooperativity. S. J. Hurst, H. D. Hill, C. A. Mirkin 9:40 301. Responsive silica-polypeptide colloidal particles of different surface density. E. Soto-Cantu, K. Jerome, S. Turksen-Selcuk, P. S. Russo


Section A Morial Convention Center Rm. 224 Surface Chemical Aspects of Tribology Model Systems

A. J. Gellman and G. S. Luengo, Organizers 2:00 Introductory Remarks. 2:05 308. Thermally activated friction. S. S. Perry, X. Zhao, W. G. Sawyer 2:45 309. Modeling the surface chemistry of tribological materials. S. V. Didziulis, H. I. Kim 3:10 310. Nanoscale energy dissipation mechanisms of nanoparticles, nanocomposites and self-assembled monolayer. D. Devaprakasam, P. V. Hatton, G. Moebus, B. J. Inkson 3:35 311. Capillary effects in nanoasperity friction forces. D. B. Asay, S. H. Kim 4:00 312. In situ Raman microspectrometry applied to the simultaneous measurements of pressure, lubricant film thickness and temperature distributions in lubricated rolling sliding contacts. D. Himmel, Y. Bercion, H. Mansot, J. Mansot 4:25 313. Influence of tip velocity and atmosphere on nanofriction properties of lamellar compounds. P. Bilas, L. Romana, F. Bade, J. Mansot 4:50 314. Is there an electronic contribution to friction? M. Salmeron, Y. Qi, F. Ogletree, B. Hendriksen


H. Fairbrother, V. H. Grassian, F. Geiger, and J. C. Hemminger, Organizers 2:00 315. Fluorescence and Raman spectroscopic studies of environmental surface chemistry. D. J. Donaldson 2:30 316. Structure and reactivity of organic coatings on inorganic aerosol particles. E. R. Garland, E. P. Rosen, L. I. Clarke, C. L. Huffman, S. Huffman, J. Bochinski, T. Baer 2:50 317. Interplay of water, acids and oxidants at the surface of atmospheric aerosol. M. A. Young

TECH–47

TECHNICAL PROGRAM

COLL 3:20 318. Chemistry of individual atmospheric particles. A. Laskin 3:50 319. Photochemical reactions of mineral-adsorbed organic compounds with NO2. R. Z. Hinrichs 4:20 320. Interfacial properties of sodium nitrite and its effect on nitrate: A molecular dynamics study. K. M. Callahan, M. Roeselová, D. J. Tobias 4:40 321. Laboratory studies of interfacial processes on Mars: The methane mystery. M. A. Tolbert, M. G. Trainer, R. V. Gough, C. P. McKay, O. B. Toon

Section E

Section B

Section D




Polymer-Nanoparticle Systems: Theory, Simulation, Experiments Composites

The Physical Chemistry of Environmental Interfaces Cosponsored by PHYS and ENGENV

R. Nagarajan and A. C. Balazs, Organizers

H. Fairbrother, V. H. Grassian, F. Geiger, and J. C. Hemminger, Organizers

Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Organics/Polymer Cosponsored by PHYS and ENGENV

A. C. Balazs, Presiding

Section C

2:00 334. Nanosized organofillers for restorative dentistry. J. Borbely 2:20 335. Tuning dispersion and optical property of ZnO quantum dots in polymers through exfoliated nanoplatelets. D. Sun, H-J. Sue 2:40 336. Controlled release of nitric oxide from nanoparticles through electrospun biodegradable fibers. H. A. Liu, H. Osuna, K. J. Balkus Jr. 3:00 337. Formation and characterization of polymer-reinforced porous single crystals. H. Li, L. Estroff 3:20 338. Modeling of nanoclay exfoliation and lamellar ordering of polypropylene clay nanocomposites with small angle X-ray scattering studies. S. Gunasekaran, N. Preschilla, A. A. Rasheed, A. Biswas, J. R. Bellare, S. Tyagi, N. Venkateswaran 3:40 339. Rheological behavior and barrier properties of model epoxy nanocomposites. L. Sun, W. J. Boo, A. Clearfield, H-J. Sue 4:00 340. Polymer nanocomposites with layered zeolite MCM-22: Microstructural study and gas separation performance. S. Maheshwari, S. Kumar, F. S. Bates, R. L. Penn, M. Tsapatsis 4:20 341. Reversible immersion and elevation of nanoparticles in ultrathin nanocomposite block copolymer films. I. Luzinov, K. S. Iyer, J. Moreland, S. Malynych, G. Chumanov 4:40 342. Assembly and disassembly of polymer nanoparticle composites. U. Wiesner, S. C. Warren, F. J. DiSalvo

8:30 349. Oxidation of organic and soot surfaces: Recent laboratory results. J. Abbatt, I. George, N-O. A. Kwamena, J. McCabe, A. Vlasenko 9:00 350. Quantifying the effects of oxidative processes and tailoring the surface properties of carbon nanotubes. K. A. Wepasnick, B. Smith, H. Fairbrother 9:20 351. Characterizing black carbons and biomass burn particulates: Evidence for oxygenated interfaces on aged biomass burn particulates. M. K. Gilles, R. J. Hopkins, A. V. Tivanski, A. Laskin, Y. Desyaterik, T. Tyliszczak 9:50 352. Fundamental studies of environmental chemistry on TiO2(110): Water and atmospheric pollutants. C. M. Friend, L. Benz, J. Haubrich, R. G. Quiller, M. Colling 10:20 353. Scanning tunneling microscopy study of water adsorption on anatase TiO2(101). Y. He, O. Dulub, L. Ying, U. Diebold, C. D. Valentin, A. Selloni, A. Tilocca 10:40 354. Influence of hydrophilic-hydrophobic interactions in photochemistry on TiO2. M. A. Henderson 11:10 355. Adsorption of monovalent and divalent cations at the TiO2 (110) – aqueous interface studied using resonant anomalous X-ray reflectivity. V. Kohli, Z. Zhang, C. Park, P. Fenter, J. Rosenqvist, D. J. Wesolowski 11:30 356. Reactivity of model iron and iron oxide surfaces and nanoparticles with chlorinated hydrocarbons. G. S. Parkinson, Z. Dohnálek, R. S. Smith, B. Kay 11:50 357. Reactivity of CO on oxygensaturated Rh and Pd surfaces: An X-ray photoelectron spectroscopic study. K. K. Gath, Y. Cai, Z. Yan, M-S. Chen, D. W. Goodman 12:10 358. Environmental effects in binding of metal clusters to oxide surfaces. W. F. Schneider

Morial Convention Center Rm. 229 Structure, Property, and Function of Cell Membranes and Membrane Related Biomolecules Membrane Phase Behavior, Rafts, Domains, and Ion Channels

Z. Chen and W. DeGrado, Organizers T. Baumgart, Presiding G. Tew, Organizer, Presiding 2:00 322. Looking for lipid rafts. K. Jacobson, Y. Chen 2:30 323. Liquid domains in unusual membranes: With asymmetric compositions and near critical points. S. L. Keller, M. D. Collins, A. R. Honerkamp-Smith 3:00 324. Of domains and boundaries: Phase coexistence in membrane mixtures. T. Baumgart 3:30 325. Membrane mediated protein interactions studied by coarse-grained molecular dynamics simulations. M. Deserno 4:00 326. Design of model ion channels with variable conductance characteristics. R. Capone, S. Munoz Correa, S. Blake, J. Yang, M. Mayer 4:30 327. Understanding folding and stability in voltage sensor domains of Kv channels. J. A. Freites, E. V. Schow, D. J. Tobias, S. H. White

Section D Morial Convention Center Rm. 226

X. Zhu, P. Kamat, and T. Lian, Organizers

Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

WEDNESDAY MORNING Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Ultrafast Spectroscopy Cosponsored by PHYS and ENGENV

X. Zhu, P. Kamat, and T. Lian, Organizers 2:00 328. Charge transfer excitons on a crystalline organic semiconductor surface. M. Muntwiler, X-Y. Zhu 2:20 329. Watching excitations diffuse and charges recombine at interfaces in organic photovoltaic materials. J. B. Asbury, L. W. Barbour, R. D. Pensack 3:00 330. Ultrafast dissociation of excitons in quantum dots. A. Boulesbaa, J. Huang, Z. Huang, T. Lian 3:20 331. Carrier multiplication in semiconductor nanocrystals: Mechanism and competing energy-loss processes. V. I. Klimov 4:00 Intermission. 4:20 332. Time-domain ab initio studies of photoinduced electron dynamics at molecule-semiconductor interfaces. O. V. Prezhdo 5:00 333. Ultrafast electron solvation and transfer dynamics at protic-solvent/TiO2 interfaces. H. Petek


48–TECH

Section A Section C Morial Convention Center Rm. 224 Surface Chemical Aspects of Tribology Biosurfaces

A. J. Gellman and G. S. Luengo, Organizers 9:00 343. A novel low-friction surface for biomedical applications: Modification of poly(dimethylsiloxane) with poly(ethylene glycol)-dopa-lysine. K. Chawla, S. Lee, N. D. Spencer, P. B. Messersmith 9:40 344. Lubrication of the oral interface by saliva. J. H. Bongaerts, D. Rossetti, G. E. Yakubov, L. Macakova, J. R. Stokes 10:05 345. Mechanical and chemical properties of the superficial layer of natural cartilage. R. Crockett, C. Dora, W. Born, H. Troxler 10:30 346. Triboelectricity of hair tresses: A tribological point of view. M. Fougere, C. Guerret-Piecourt, C. Pailler-Mattei, H. Zahouani 10:55 347. Hard and soft nanojunctions: Structure and dynamics. U. Landman, J. Gao 11:35 348. Vibro-acoustic signature of human skin during friction. H. Zahouani, R. Vargiolu, A. Lebot

Morial Convention Center Rm. 229 Electrochemistry-Enabled Nano S&T Energy Conversion@Nano

J. W. Long, D. R. Rolison, K. J. Stevenson, J. Macpherson, and H. S. White, Organizers 9:00 359. Electrochemical interfacial engineering of inorganic polycrystalline electrodes for use in solar energy conversion. K-S. Choi, M. J. Siegfried, C. G. Read, C. M. McShane 9:35 360. Nanowires for thermoelectric power generation. R. M. Penner 10:10 361. Electrochemistry, electrocatalysis, and photoelectrochemistry of carbon nanofiber forests. R. J. Hamers 10:45 362. Air- and water-stable metallic nanowebs of ruthenium dioxide self-wired onto (dirt-cheap) glass filter paper. D. R. Rolison, C. N. Chervin, J. W. Long, K. A. Pettigrew, J. C. Lytle 11:20 363. Formation of bimetallic species at electrode surface modified by reduction of aryl diazonium cations. N. Vilà, D. Bélanger

8:20 364. Electronic structure of metal/ organic and organic/organic interfaces. J-L. Bredas 9:00 365. Chemically modifying defects in pi-conjugated polymer films. B. A. Gregg, D. Wang, N. Kopidakis, X. Ai 9:20 366. Scanning probe microscopy of interfaces in active polymer solar cells. D. S. Ginger Jr. 10:00 Intermission. 10:20 367. Ground-state charge transfer across organic/organic junctions. N. Koch 11:00 368. Studying photoinduced electron transfer at nanostructured interfaces using transient microwave conductivity. G. Rumbles, A. J. Ferguson, N. Kopidakis, X. Ai, M. J. Heben, J. L. Blackburn 11:40 369. Molecular characterization of the thermal phase behavior of two high performance semiconducting polymers. A. J. Moad, D. M. DeLongchamp, R. J. Kline, Y. Jung, D. A. Fischer, D. J. Gundlach, B. H. Hamadani, I. McCulloch, M. Heeney, L. J. Richter

Section E Morial Convention Center Rm. 227 Polymer-Nanoparticle Systems: Theory, Simulation, Experiments Modeling and Simulations

R. Nagarajan and A. C. Balazs, Organizers S. O. Nielsen, Presiding 9:00 370. Thermodynamics and dynamics of polymer nanocomposites. M. Rubinstein, A. V. Dobrynin 9:20 371. Pattern formation in dewetting nanoparticle/polymer bilayers. A. R. Esker, R. Paul, U. Karabiyik, M. C. Swift, J. R. Hottle 9:40 372. Theory of nanoparticle self-assembly at oil/water interfaces: The role of curvature. S. O. Nielsen, P. B. Moore, W. Shinoda, R. J. Kalescky, C-C. Chiu 10:00 373. Simulation study of polymernanotube hybridization in solution. W. Martin, W. Zhu, G. Krilov 10:20 374. Adsorption of star-branched polyelectrolytes on charged colloids. A. Jusufi, M. Konieczny, C. N. Likos 10:40 375. Formation process and size regulation of polyelectrolyte complex nanoparticles: Experiments and simulation. V. Starchenko, M. Müller, N. Lebovka 11:00 376. Phase behavior of uncharged polymer – silica systems. N. L. Quarcoo, E. Kaler 11:20 377. Modification of surface energies of layered silicates through surfactants of different chain length. Y-T. Fu, H. Heinz 11:40 378. Correlating surfactant hydrophiliclipophilic balance and nanoparticle radii via coarse-grained molecular dynamics simulations. R. J. Kalescky, W. Shinoda, P. B. Moore, S. O. Nielsen Nanostructured Materials Energy Sponsored by PHYS, Cosponsored by ACS Division of Physical Chemistry and AIChE Nanoscale Science Engineering Forum (Group 22), and COLL Roles of Catalysis in Fuel Cells Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, and ENGENV


COLL WEDNESDAY AFTERNOON

Section C

Section A


Morial Convention Center Rm. 224 Surface Chemical Aspects of Tribology Lubrication

A. J. Gellman and G. S. Luengo, Organizers 2:00 379. Molecular mechanisms of biological lubrication. J. Klein 2:40 380. Computer simulations and experiments on ZDDP derivatives under pressure. D. Shakhvorostov, M. H. Müser, N. Mosey, Y. Song, P. R. Norton 3:05 381. Stainless steel surface chemistry and space lubrication. H. I. Kim, S. V. Didziulis 3:30 382. Influence of oxygen on the tribological properties of lamellar solid lubricants: The case of nickel thiophosphate NiPS3. N. Nomede Martyr, D. Himmel, K. Delbe, L. Romana, P. Thomas, J. Mansot 3:55 383. Tribological properties of fluorinated carbon nanofibres. P. Thomas, K. Delbe, D. Himmel, J. Mansot, M. Dubois, K. Guerin, A. Hamwi 4:20 384. Tribological properties of graphite intercalation compound: Correlation to their electronic structure. K. Delbe, D. Himmel, J. Mansot, P. Thomas, Y. Bercion, F. Boucher, D. Billaud 4:45 385. Friction measurement between polyester fibres using fibre probe SPM. H. Mizuno, M. Kjellin, N. Nordgren, T. Pettersson, V. Wallqvist, M. Fielden, M. W. Rutland

Section B Morial Convention Center Rm. 225

Electrochemistry-Enabled Nano S&T Electroanalysis@Nano

J. W. Long, D. R. Rolison, K. J. Stevenson, J. Macpherson, and H. S. White, Organizers 2:00 396. Electrochemical characterization of PorB class II porin from Neisseria meningitidis using tethered bilayer lipid membranes. S. R. Jadhav, Y. Zheng, R. M. Garavito, R. M. Worden 2:20 397. Nanoelectrodes: Versatile tools for nano S&T. P. Sun, F. O. Laforge, M. V. Mirkin 2:55 398. Electroanalytical chemistry using nanopores. H. S. White 3:30 399. Probing and directing heterogeneous electron transfer at the nanoscale. P. R. Unwin, M. Schnippering, H. Morley, M. Zhang, C. G. Williams, A. L. Colley, A. Rutkowska, M. A. Edwards, J. Macpherson, M. Mazurenka, S. R. Mackenzie 4:05 400. Impaired cell function after exposure to gold colloids as measured by carbon fiber microelectrode amperometry. B. J. Marquis, S. Love, K. L. Braun, C. L. Haynes 4:40 401. Fluidic nanodevices for electrochemical sensing. M. A. G. Zevenbergen, B. L. Wolfrum, S. G. Lemay

Section D Morial Convention Center Rm. 226 Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Molecular Control Cosponsored by PHYS and ENGENV

X. Zhu, P. Kamat, and T. Lian, Organizers The Physical Chemistry of Environmental Interfaces Cosponsored by PHYS and ENGENV

H. Fairbrother, V. H. Grassian, F. Geiger, and J. C. Hemminger, Organizers 2:00 386. Tailoring the surface chemistry of nanocrystalline zeolites for environmental applications. S. C. Larsen 2:30 387. Size dependent reductive dissolution of ferrihydrite nanoparticles. R. L. Penn, J. J. Erbs, T. S. Berquó, B. Gilbert, S. Banerjee 3:00 388. Surface chemistry of ␣-FeOOH nanorods and microrods: Environmental implications of size-dependent interactions with oxalate. D. M. Cwiertny, G. J. Hunter, M. M. Scherer, V. H. Grassian 3:30 389. Cellular toxicity of single-walled carbon nanotubes (SWNT) deposited surfaces. S. Kang, M. Elimelech 3:50 390. Aggregation kinetics of multiwalled carbon nanotubes in aquatic systems. N. B. Saleh, L. Pfefferle, M. Elimelech 4:10 391. Developing structure-property relationships that describe the influence of surface chemistry on the aggregation and sorption properties of carbon nanotubes. B. Smith, H-H. Cho, K. A. Wepasnick, W. P. Ball, H. Fairbrother 4:30 392. Novel C60 aggregates produced by extended mixing in the presence of citric acid. X. Chang, P. J. Vikesland 4:50 393. Sorption and influence of humic acid (HA) on colloidal stability of aluminium oxide nanoparticles. S. Ghosh, B. Pan, P. C. Bhowmik, B. Xing 5:10 394. Stabilization of ZnS nanoparticles by thiol-containing natural organics: Implications for colloidal metal-sulfides in the aquatic environment. H. Hsu-Kim, B. Lau, A. Deonarine 5:30 395. Polyelectrolyte-modified Fe0/ Fe3O4 core/shell nanoparticles: Preparation and adsorbed polyelectrolyte layer properties. G. V. Lowry, T. Phenrat, H-J. Kim, R. D. Tilton

2:00 402. Frontier orbital energies of selfassembled monolayers and monolayers of “tethered nanoparticles⬘. N. R. Armstrong, A. L. Graham, D. M. Alloway, R. C. Shallcross 2:40 403. Organic monolayers for interfacing electrocatalytic molecules to nanostructured electrodes. E. C. Landis, R. J. Hamers 3:00 404. Electron transport through thiol tethered porphyrin derivatives on gold. A. E. Schuckman, Y-H. Chan, M. Vinodu, L. M. Pérez, C. M. Drain, J. D. Batteas 3:20 405. Toward molecular modulation of electronic devices. D. Cahen 4:00 Intermission. 4:20 406. Length-dependent transport in molecular junctions based on SAMs of aromatic monothiols and aromatic dithiols: Effect of contact type and metal work function. B. Kim, S. Choi, C. D. Frisbie 4:40 407. Modulation of interfacial electronic coupling between (porphinato)metal complexes and gold nanoparticles via carbodithioate and thiol linkers. T-H. Park, M. J. Therien 5:00 408. Charge transfer through and between single molecules. E. Borguet

Section E Morial Convention Center Rm. 227 Polymer-Nanoparticle Systems: Theory, Simulation, Experiments Core-Shell Structures

2:20 410. Aerosol-based methods for creating core-shell structures: Photoassisted chemical vapor deposition of polymeric coatings around Al nanoparticles. Y. He, S. Girshick, J. T. Roberts 2:40 411. Effect of the reaction conditions on the size and morphology of cross-linked polymer nanoparticles. J. Borbely 3:00 412. Generation of nanoparticles with reactive and fluorescent polymer shell. V. Tsyalkovsky, V. Klep, K. Ramaratnam, R. Lupitskyy, S. Minko, I. Luzinov 3:20 413. Integrating short peptides into the hydrophobic core: New approach to constructing association colloids in solution. Y. Geng 3:40 414. Highly water soluble nanocrystals: Synthesis and surface modification using polyelectrolytes. Y. Yin, T. Zhang, J. Ge, Y. Hu 4:00 415. Modeling core-shell nanoparticle formation by the cation displacement pathway. M. Ethayaraja, R. Bandyopadhyaya 4:20 416. Nanoparticle-composite gels for protein separation: Synthesis and preliminary characterization. H. E. Sedrick, N. A. Burns, J. R. Bollig, H. Stretz, P. E. Arce 4:40 417. Size selective solubilization of nanoparticles by block copolymer micelles. R. Nagarajan

Section F Morial Convention Center Rm. 228 Structure, Property, and Function of Cell Membranes and Membrane Related Biomolecules Membrane Phase Behavior, Rafts, and Domains

Z. Chen, G. Tew, and W. DeGrado, Organizers C. A. Naumann and J. J. Schmidt, Presiding 2:00 418. Effect of immobilization strategies on biological function: Ephrin-A1 signaling. K. Salaita, P. Nair, J. T. Groves 2:20 419. Electrophoresis in supported lipid bilayers: “Separation and characterization of membrane bound species”. A. Diaz, S. Daniel, P. S. Cremer 2:40 420. Raft recruitment of membrane proteins by native ligands and GPI-anchored proteins: A planar model membrane study. C. A. Naumann, A. C. Kimble-Hill, S. Garg, R. Jordan 3:00 421. Technologies for automated formation and long-term stabilization of lipid membranes. J. Schmidt 3:20 422. Synthesis and characterization of mixed monolayer protected gold nanoparticles as functional mimics of small cellular vesicles. J. J. Weingart, J. Hu 3:40 423. Skin lipids doped tubular flexible liposomes for drug delivery. P. Xu, G. Tan, J. He, L. B. Lawson, L. C. Freytag, K. D. Papadopoulos, J. D. Clements, V. T. John Nanostructured Materials Nanowire/Nanotube Sponsored by PHYS, Cosponsored by ACS Division of Physical Chemistry and AIChE Nanoscale Science Engineering Forum (Group 22) and COLL Roles of Catalysis in Fuel Cells Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, and ENGENV

R. Nagarajan and A. C. Balazs, Organizers Y. Geng, Presiding 2:00 409. Design of magnetically responsive materials by incorporating magnetic nanoparticles into thermally responsive hydrogels. I. Ankareddi, M. K. Sewell, M. L. Hampel, D-H. Kim, C. S. Brazel

THURSDAY MORNING Section A Morial Convention Center Rm. 224 Surface Chemical Aspects of Tribology Tribochemistry

A. J. Gellman and G. S. Luengo, Organizers 8:30 424. Surface (bio)chemistry of implant biotribology. N. D. Spencer 9:10 425. Tribochemistry of diamondlike carbon in a hydrogen atmosphere. J. D. Schall, J. A. Harrison, G. Gao, M. T. Knippenberg, P. T. Mikulski 9:35 426. Tribological chemistry of carbon dioxide water vapor mixtures with copper surfaces. W. T. Tysoe 10:00 427. Microwear of silicon in atmosphere and vacuum. L. Qian, B. Yu, Z. Zhou 10:25 428. Tribo-synthesis of lithium intercalated graphite compounds. J. Mansot, K. Delbe, D. Himmel, P. Thomas, Y. Bercion 10:50 429. Solvent-switchable tribological response of polymer brush-modified silicon surfaces probed by atomic force microscopy. F. T. Limpoco, X. Yan, S. S. Perry 11:15 430. Adhesion and friction measurements by AFM for silica nanoparticlesmetal systems used in chemical-mechanical planarization processes. I. Luzinov, R. Burtovyy, A. Tregub, M. Moinpour, M. Buehler 11:40 431. Superlubricity of steel by polyhydric alcohols and myo-inositol. J. M. Martin, M. De Barros Bouchet, L. Joly-Pottuz, C. Matta

Section B Morial Convention Center Rm. 225 Understanding and Controlling Bacterial Adhesion at Molecular to Macro-Scales Bacterial Transport and Biofilm Characterization Cosponsored by AIChE Environmental Division (Group 9)

S. L. Walker and N. I. Abu-Lail, Organizers 9:00 Introductory Remarks. 9:10 432. Linking the physical and biological sciences to investigate cell-cell interactions and aggregation. C. A. Biggs 9:50 433. Impact of surface properties on suspension stability and the surface association potential of Bacillus spores. J. B. Morrow, B. J. Jones, K. D. Cole 10:10 434. Influence of carbon source in biofilm formation. D. F. Rodrigues, M. Elimelech 10:30 435. Noninvasive biofilm ion flux and response to chemical toxin exposure using self-referencing microelectrodes. E. S. McLamore, D. Porterfield, M. Banks 10:50 436. Direct microscopic observation of marine bacteria adhesion to seawater RO membranes. X. Huang, E. M. Hoek 11:10 Intermission. 11:20 437. Electrostatic behavior of the charge-regulated bacterial cell surface. Y. Hong, D. G. Brown 11:40 438. Can colloids facilitate virus transport in groundwater? G. E. Walshe, L. Pang, K. A. Hunter 12:00 439. Method for determining the minimum sticking efficiency of escherichia coli in packed columns. G. Lutterodt, J-W. Foppen, S. Uhlenbrook 12:20 440. Effects of surfactants on bacterial transport through unsaturated porous media. S. Tripathi, D. G. Brown


TECH–49

TECHNICAL PROGRAM

COLL Section C

Section E



Electrochemistry-Enabled Nano S&T The Next Generation@Nano

Polymer-Nanoparticle Systems: Theory, Simulation, Experiments Particle Assemblies

J. W. Long, D. R. Rolison, K. J. Stevenson, J. Macpherson, and H. S. White, Organizers 9:00 441. Electrochemical nanosmoothing for niobium superconducting accelerator cavity interior surfaces. M. J. Kelley, S. G. Corcoran, C. E. Reece, H. Tian 9:20 442. Anisotropic island growth: A new approach for thin film deposition. L. Guo, P. C. Searson 9:40 443. Kinetics of codeposition nanocrystalline Ni-Cu alloys with Al particles. X. Cui, W. Chen 10:00 444. Octadecanethiols SAMs as molecular resists for electrodeposition of metals used in magnetic and spintronic applications. B. O’Brien, P. C. Searson, K. J. Stebe 10:20 445. Electrochemically deposited poly-3-hexylthiophene films via pulse potential methods for P3HT/fullerence photovoltaic devices. E. L. Ratcliff, J. J. Jenkins, R. C. Shallcross, N. R. Armstrong 10:40 446. Hybrid semiconducting nanoparticle/conductive polymer nanocomposite thin films created via electrochemical polymerization. R. C. Shallcross, G. D. D’Ambruoso, S. E. Bowles, J. Pyun, N. R. Armstrong 11:00 447. Electrochemical doping of ionically functionalized inorganic nanoparticle assemblies. S. W. Boettcher, S. Berg, G. D. Stucky 11:20 448. Ionothermal synthesis of shapecontrolled nanohybrids for an electrochemical device. H. Park, W. H. Hong

Section D Morial Convention Center Rm. 226 Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials ET in Model Systems Cosponsored by PHYS and ENGENV

X. Zhu, P. Kamat, and T. Lian, Organizers 8:40 449. Enhanced photoinduced electron transfer between zinc phthalocyanine entrapped membrane and methyl viologen immobilized virus. P. Ngweniform, C. Mao 9:00 450. Bonding configurations of catechol on rutile and anatase TiO2. P. Jacobson, J. Wang, M. Connors, X-Q. Gong, A. Selloni, U. Diebold 9:20 451. Enhancement of dye-sensitized solar cells using colloidal nanoparticles. A. Neshat, T. P. Bigioni 9:40 452. Doping poly(p-phenylene vinylene) with phosphomolybdate through layer-bylayer fabrication for optoelectronic applications. B. Wang, C. B. Nelson, R. N. Vyas, Y. Mou, K. Li, J. W. Rabalais, G. M. Irwin 10:00 453. Interfacial charge transfer in carbon nanotubes-modified polymer photovoltaic nanostructures. T. Zeng, T-F. Chen, Y-F. Li 10:20 Intermission. 10:40 454. Electron transfer enhanced aggregation of carbon nanotubes. J. C. Poler, H. Chaturvedi, A. Giordano, S. Kobayashi 11:00 455. Spin dependent electron transfer across metal/molecule interfaces. G. J. Szulczewski, W. Xu, P. LeClair, A. Gupta 11:20 456. Two-photon photo-emission of thiophenes on Ag(111). A. Yang, J. Johns, E. Muller, M. L. Strader, C. B. Harris 11:40 457. Dye adsorption on single crystal oxide semiconductors as a model for dye sensitized solar cells. B. A. Parkinson, M. T. Spitler, Y. Lu


50–TECH

R. Nagarajan and A. C. Balazs, Organizers U. B. Wiesner, Presiding 9:00 458. Cylindrical polymeric multicompartment particles decorated with inorganic nanoparticles. A. Walther, J. Yuan, V. Abetz, A. H. E. Mueller 9:20 459. Encapsulation by microcapsules. H. N. Yow, A. F. Routh 9:40 460. Higher order self-assembly of polymer micelles/vesicles via specific interactions. Y. Geng 10:00 461. Magnetic assembly of functional dipolar nanoparticles: Colloidal building blocks for 1-D mesostructured composites. S. E. Bowles, B. D. Korth, P. Y. Keng, J. Pyun 10:20 462. Polymer assembly exploiting three independent interactions. D. Zhang, H. Tanaka, R. Pelton 10:40 463. Preparation parameter development for layer-by-layer assembly of keggin-type polyoxometalates. R. N. Vyas, S. Shaik, B. Wang 11:00 464. Room-temperature growth of uniform tellurium nanorods and the assembly of tellurium or magnetite nanoparticles on the nanorods. J. Yuan, H. Schmalz, Y. Xu, N. Miyajima, M. Drechsler, M. W. Moeller, F. Schacher, A. H. E. Müller 11:20 465. Synthesis and characterization of nanoparticle assemblies for electronic applications. J. A. Ayres, K. L. Chandra, C. B. Gorman Nanostructured Materials Nanowire/Nanotube Sponsored by PHYS, Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22), and COLL Opportunities at the Interface: Refining and Petrochemicals Sponsored by PETR, Cosponsored by COLL Roles of Catalysis in Fuel Cells Role of Catalysis in Fuel Cells Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, and ENGENV

5:10 473. Friction of aromatic thiols in contacts of different adhesive strength. M. Ruths, Y. Yang

Section B Morial Convention Center Rm. 225 Understanding and Controlling Bacterial Adhesion at Molecular to Macro-Scales Cosponsored by AIChE Environmental Division (Group 9)

S. L. Walker and N. I. Abu-Lail, Organizers 2:00 Introductory Remarks. 2:20 474. Specific and nonspecific contributions to bacterial interaction forces. H. C. van der Mei, W. Norde, H. J. Busscher 3:00 475. A possible association site between xanthan and galactomannan. M. Tako, T. Konishi 3:20 476. Effect of biofilm surface roughness on thickness of hydrodynamic boundary layer and coefficient of friction. Z. Huang, H. Chuang, B. Rogers, M. K. Banks 3:40 477. Effects of cranberry constituents on biofilm formation and bacterial adhesion of Escherichia coli: Preventing urinary tract infections. P. A. Pinzon-Arango, Y. Liu, K. Holguin, T. A. Camesano 4:00 Intermission. 4:20 478. Effects of adhesion on bacterial metabolic activity. Y. Hong, D. G. Brown 4:40 479. Interaction time between ligandreceptor binding investigated via atomic force microscopy (AFM) and quartz crystal microbalance with dissipation monitoring (QCM-D). Y. Liu, P. A. Pinzon-Arango, J. A. Strauss, T. A. Camesano 5:00 480. Molecular attachment of Listeria monocytogenes to a model surface. N. I. Abu-Lail, B-J. Park 5:20 481. Selective binding of pathogenic Escherichia coli with antimicrobial peptides. J. A. Strauss, T. A. Camesano 5:40 482. Transport behavior of Escherichia coli O157:H7 and Salmonella enterica serovar pullorum in packed bed column systems: Influence of solution chemistry and cell concentration. B. Z. Haznedaroglu, S. L. Walker

Section C Morial Convention Center Rm. 229 Electrochemistry-Enabled Nano S&T Energy Storage@Nano

THURSDAY AFTERNOON Section A Morial Convention Center Rm. 224 Surface Chemical Aspects of Tribology Films

A. J. Gellman and G. S. Luengo, Organizers 2:00 466. Influence of adsorbed polyelectrolyte brushes on the hair’s tribological properties in an aqueous environment. N. Baghdadli, C. Cazeneuve, G. Jegou, J. Vazquez, G. S. Luengo, N. Mougin 2:40 467. Influence of salts on the aqueous lubrication properties of surface-grafted poly(ethylene glycol) (PEG) films. N. D. Spencer, S. Lee 3:05 468. Nanotribological properties of responsive films: Effect of pH and temperature. N. Nordgren, M. W. Rutland 3:30 469. Adsorption isotherm, chain orientation, and packing of short-chain linear alcohols on silicon oxide. A. L. Barnette, D. B. Asay, S. H. Kim 3:55 470. SiC with trbological properties of Al2O3–SiC plasma sprayed nanocomposite coatings. P. T. H. Tram 4:20 471. Tribological properties of selfassembled monolayers on nanoasperities probed by AFM and FTIR. J. D. Batteas, R. L. Jones, N. Pearsall 4:45 472. Friction and normal interaction forces between irreversibly attached weakly charged polymer brushes. S. Giasson, B. Liberelle

4:25 488. Synthesis of high surface area architectures for lithium-ion batteries. A. L. Prieto, T. S. Arthur, J. M. Mosby, T. Stetser

J. W. Long, D. R. Rolison, K. J. Stevenson, J. Macpherson, and H. S. White, Organizers 2:00 483. Nanostructured electrodes for efficient energy storage. G. Cao 2:35 484. Electrochemical assembly and spectroscopic ellipsometry of nanostructured metal oxide electrodes. K. Stevenson, R. A. May, B. Hahn, L. Kondrachova 3:10 485. Highly defective Mn1-xO nanocrystals by anodic electrodeposition: Implication of high-rate capability electrochemical supercapacitors. W. Wei, N. Morawej, W. Chen, D. G. Ivey 3:30 486. Multifunctional carbon nanoarchitectures as designer platforms for electrochemical power sources. J. W. Long, A. E. Fischer, J. C. Lytle, K. A. Pettigrew, D. R. Rolison 4:05 487. Electrochemical fabrication and characterization of hierarchically porous supercapacitors. D. B. Robinson, W-S. Chae, P. V. Braun, B. A. Simmons



X. Zhu, P. Kamat, and T. Lian, Organizers 2:00 489. Nanowire-based solar cell. P. Yang 2:40 490. Valence band alignment at CdSe quantum dot and ZnO (101bar0) interfaces. B. A. Carlson, K. Leschkies, E. Aydil, X. Zhu 3:00 491. Electron storage in metallic nanoparticles: Control of chemical charging and discharging. S. O. Obare 3:20 Intermission. 3:40 492. Light to electrical energy conversion at thin film metal oxide electrodes with ordered architectures. J. M. Gardner, G. J. Meyer 4:00 493. Photoluminescence of pure and mixed-phase nanocrystalline TiO2: Influence of solvent environment on inter- and intra-particle carrier transport. F. J. Knorr, J. L. McHale 4:20 494. Single molecule interfacial charge transfer dynamics in a dye-sensitized solar cell model. B. S. Tackett, L. K. Schirra, M. L. Blumenfeld, J. M. Tyler, O. L. A. Monti 4:40 495. Hierarchically-structured ZnO nanoparticle film for dye-sensitized solar cells. G. Cao, Q. Zhang

Section E Morial Convention Center Rm. 227 Polymer-Nanoparticle Systems: Theory, Simulation, Experiments Applications

R. Nagarajan and A. C. Balazs, Organizers S. Muralidharan, Presiding 2:00 496. Novel suprastructure design using nanowires and polymers: Optical and electronic properties. J. Lee, N. A. Kotov, A. O. Govorov 2:20 497. Macromolecular release from thermoresponsive hydrogels containing gold nanostructures. N. T. Flynn, M. F. Qayyum, L. M. Guiney, J. C. Thomas 2:40 498. Nanocolloidal substrates for surface enhanced raman spectroscopy. L. R. Cambrea, D. Irvin 3:00 499. Nanoscale self-assembly nanosensors for nerve gas analogs and explosives. S. Muralidharan, N. Srividya, W. Lizik, S. Varaganti, Y. Datar, D. Thimmaraju 3:20 500. Microfluidic approaches for biochemical detection sensors. K. Choi 3:40 501. Drug overdose treatment using long circulating liposomes. B. A. Howell, A. Chauhan 4:00 502. Modeling the electrophoretic transport in nanoparticle-embedded polymer gels. J. A. Pascal, H. Stretz, M. A. Oyanader, P. E. Arce 4:20 503. Stop flow interference lithography in a microfluidic device. J-H. Jang, D. Dendukuri, A. Hatton, E. L. Thomas, P. S. Doyle 4:40 504. Surface activity and crystallization studies of amphiphilic polymer coated magnetite nanoparticles. Q. Xie, A. A. Williams, R. D. Gandour, S. Yang, H. Marand, A. R. Esker Nanostructured Materials Nanowire/Nanotube Sponsored by PHYS, Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22) and COLL

COMP

COMP Division of Computers on Chemistry J. D. Madura, E. X. Esposito, and A. Roitberg, Program Chairs SUNDAY MORNING Section A Morial Convention Center Rm. 337 Computational Phase Equilibria Cosponsored by AIChE Computational Molecular Science & Engineering Forum (Group 21)

J. I. Siepmann and J. K. Johnson, Organizers 8:00 1. Molecular modeling of complex fluids. C. McCabe 8:40 2. Phase diagram calculations of alloys using density functional theory. V. B. Warshasky, X. Song 9:20 3. Quantum Statistical Mechanics of rigid and semirigid molecular condesed matter. E. Curotto 9:40 Intermission. 9:50 4. The nonbulk like phase behavior for nanocluster systems. B. Chen, R. B. Nellas, S. J. Keasler, H. Kim, J. I. Siepmann 10:30 5. Modeling the kinetics of nanocrystal growth. S. K. Kumar, M. Tambasco 11:10 6. Simulation of pure component phase equilibrium properties using a modified Stockmayer potential. T. McKnight, K. Bolton

Section B Morial Convention Center Rm. 347 Replica Exchange: New Methods and Applications to Protein Folding and other Large Systems Methods

S. Rick, Organizer 8:00 7. Replica-exchange method and its generalizations. Y. Okamoto 8:40 8. Multiplexed replica exchange molecular dynamics simulations of protein folding with a physics-based coarsegrained force field. C. Czaplewski, S. Kalinowski, A. Liwo, S. Oldziej, H. A. Scheraga 9:20 Intermission. 9:40 9. Improving the convergence of replica exchange simulations for complex systems. C. L. Simmerling 10:20 10. Replica exchange with solute tempering. B. J. Berne, R. Zhou 11:00 11. Biasing potential replica exchange to enhance sampling of peptide and protein conformations during molecular dynamics simulations. M. Zacharias

Section C Morial Convention Center Rm. 348

8:50 14. Advances in induced-fit docking with applications toward predicting binding energies of diverse molecules. I. Alberts, R. B. Murphy, B. W. Sherman, R. Farid, R. Friesner 9:15 15. Improved water handling in structure-based molecular docking. A. Rumpl, C. Detering, H. Claußen 9:40 Intermission. 9:55 16. Predicting absolute binding free energies with physics-based methods. D. L. Mobley, K. A. Dill 10:20 17. Protein loop flexibility around ligand binding sites: Implications for drug design. C. A. Weigelt, K. A. Rossi, A. Nayeem, S. R. Krystek Jr. 10:45 18. Role of quantum mechanical energies in binding sites of metalloproteins. A. E. Cho, D. Rinaldo 11:10 19. Structure-based lead optimization of small molecule ␤-secretase (BACE1) inhibitors. K. Y. Fan, J. Bard, R. Chopra, D. Cole, J. Erdei, W. F. Fobare, I. Gunawan, Y. Hu, C. Humblet, E. S. Manas, A. Olland, N. Pawel, D. A. Quagliato, P. Reinhart, W. R. Solvibile, W. S. Somers, J. Turner, E. Wagner, Y. Yan, P. Zhou, A. J. Robichaud, M. S. Malamas

Section D Morial Convention Center Rm. 336 Quantum Chemistry Organic and Biorganic

A. Roitberg, Organizer J. A. Plumley, Presiding 8:00 20. Cation binding and quadrupole moments of substituted cyclopentadienyl rings. K. Cormier, M. Lewis 8:25 21. Effects of the crystal environment on potential energy surfaces for proton transfer in aspirin. M. M. Francl, M. Wampole 8:50 22. Evaluation of several correlated electronic methods in the context of calculations common to drug design. D. L. Cheney, K. A. Rossi 9:15 23. Influence of molecular oxides on transition metal tricarbonyls. C. W. Earley 9:40 Intermission. 9:55 24. Novel QM/MM investigations of enzyme catalysis. M. Williamson, I. R. Gould, D. R. Klug, R. C. Walker 10:20 25. Minding the gap: Lowering the barrier to the Bergman cyclization of enediynes. C. A. Parish 10:45 26. The contribution of electronic and conformational constraints to the selectivity of P450-catalyzed oxygenation vs. dehydrogenation reaction mechanisms during tamoxifen metabolism. K. Shahrokh, G. Yost, T. E. Cheatham III

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 337 Computational Catalysis Zeolites and Homogeneous Cosponsored by AIChE Computational Molecular Science & Engineering Forum (Group 21)

A. M. Rappe and S. Linic, Organizers Drug Discovery Docking and Scoring Cosponsored by CINF, Financially supported by Merck Research Laboratories

I. Visiers, Organizer A. Tebben, Presiding 8:00 12. Abandoning the rigid receptor approximation: Side-chain flexibility in GOLD. P. Carlqvist, J. W. Liebeschuetz 8:25 13. Accurate docking and scoring of fragment molecules for lead discovery and optimization. K. Armstrong, B. W. Sherman

1:30 27. ACE, a virtual screening tool for asymmetric catalysts. C. R. Corbeil, J. Schwartzentruber, N. Moitessier 2:00 28. Assessing the performance of density functional theory for metal-salen catalysis. J. S. Sears, C. D. Sherrill 2:30 29. Born-Oppenheimer molecular dynamics simulations of enzyme catalysis with ab initio QM/MM methods. Y. Zhang, S. Wang, P. Hu 3:00 Intermission. 3:30 30. Dehydrogenation of ammoniaborane catalyzed by N-heterocyclic carbene nickel complexes: A DFT study. X. Yang, M. B. Hall

4:00 31. Kinetics of oxidation of monosaccharides by protonated N-bromosuccinimide using nano-amount of chloro-complex of Rh(III) as homogeneous catalyst. A. K. Singh, R. Srivastava, J. Srivastava, S. Srivastava, P. Singh

Section B Morial Convention Center Rm. 347 Replica Exchange: New Methods and Applications to Protein Folding and other Large Systems Computational Efficiency

S. Rick, Organizer 1:30 32. Comparison between regular and replica exchange molecular dynamics simulations and their applications in protein folding. W. Zhang, H. Lei, C. Wu, Z. Wang, Y. Duan 2:10 33. Enhanced sampling via replica methods. A. E. Roitberg 2:50 Intermission. 3:10 34. Simple continuous and discrete models for simulating replica exchange simulations of protein folding and binding. R. M. Levy, M. Andrec, E. Gallicchio, W. Zheng 3:50 35. Exploring the energy landscape of protein folding using replica exchange and conventional molecular dynamics simulations. V. Daggett 4:30 36. Limitations of temperature replica exchange (T-REMD) in protein folding simulations. J. W. Pitera, W. C. Swope

Section C Morial Convention Center Rm. 348 Molecular Mechanics Advancing Methodologies

E. X. Esposito, Organizer A. J. Campbell, Presiding 1:30 37. Ab initio molecular dynamics simulations of water under shock compression: Chemistry behind shock fronts. N. Goldman, E. J. Reed, L. E. Fried, C. J. Mundy, I. F. W. Kuo, A. Curioni 1:55 38. Conformational and isomeric free energy differences from cluster-based simulations. S. J. Keasler, H. Kim, R. B. Nellas, M. E. McKenzie, B. Chen 2:20 39. Photoisomerization of azobenzene: A quantitative force field-based implementation and simulation of assemblies with layered silicates in comparison with experiment. H. Heinz, R. Vaia, H. Koerner, B. L. Farmer 2:45 Intermission. 3:00 40. Using wide-angle X-ray scattering and molecular mechanics to explore the conformational ensemble of a hexameric porphyrin macrocycle: Evaluating CHARMM’s ability to reproduce large amplitude motions. K. L. Mardis, H. Sutton, D. M. Tiede 3:25 41. Ultrafast transformation of graphite to diamond: An ab initio study of graphite under shock compression. N. Goldman, C. J. Mundy, E. J. Reed, I. F. W. Kuo, L. E. Fried, A. Curioni Cheminformatics: From Teaching to Research Public Cheminformatics Resources Sponsored by CINF, Cosponsored by COMP


MONDAY MORNING Section A Morial Convention Center Rm. 337 Computational Phase Equilibria Cosponsored by AIChE Computational Molecular Science & Engineering Forum (Group 21)

J. I. Siepmann and J. K. Johnson, Organizers 8:00 42. Simulations of phase transitions and activity coefficients in ionic systems. A. Z. Panagiotopoulos 8:40 43. Comparing the Gibbs Ensemble and Grand-Canonical Transition-Matrix Monte Carlo methods in the determination of fluid phase equilibria. V. K. Shen, A. S. Paluch, J. R. Errington 9:20 44. Free energy calculations of molecular solutes in polymeric microstructures. N. F. van der Vegt, B. Hess, T. A. Ozal, C. Peter 9:40 Intermission. 9:50 45. Molecular simulation of equilibrium properties of fluids: From understanding toward quantitative predictions. V. Lachet 10:30 46. Predicting phase equilibria using efficient Monte Carlo simulations. J. I. Siepmann, M. J. McGrath, J. L. Rafferty, K. E. Anderson, X. S. Zhao 11:10 47. Discretized transferable LennardJones united atom models for phase equilibria. J. Elliott, P. Stuhldreher

Section B Morial Convention Center Rm. 347 Replica Exchange: New Methods and Applications to Protein Folding and other Large Systems Methods

S. Rick, Organizer 8:00 48. Problem oriented sampling design via the replica exchange strategy. W. Yang 8:40 49. Extrapolating to equilibrium from early simulation results of replica exchange calculations on proteins. W. C. Swope, J. W. Pitera 9:20 50. New replica exchange methods for spanning large temperature ranges. S. Rick, A. J. Lee, H. Yu 10:00 Intermission. 10:20 51. Conformational sampling of peptides in different dielectric environments. M. Feig, M. Sayadi, S. Tanizaki 11:00 52. Advanced sampling in exploring pH-dependent conformational transitions in proteins and peptides. C. L. Brooks III 11:40 53. Temperature intervals with global energy reassignment (TIGER): Algorithm development and application to protein folding. R. A. Latour

Section C Morial Convention Center Rm. 348 Drug Discovery Finding Hits Cosponsored by CINF, Financially supported by Merck Research Laboratories

I. Visiers, Organizer J. Woolfrey, Presiding 8:00 54. Identification of Pyk2 FERM ligands by combining protein similarity assessment, mutagenesis study, pharmacophore prediction, and in silico screening. L. Wang, N. Meurice, J. Loftus, Y-P. Pang, B. Clark, C. A. Lipinski 8:25 55. Improving enrichment rates: A practical solution to an impractical problem. N. M. O’Boyle, R. Taylor 8:50 56. Annotated DB of chemically feasible scaffolds: Key point for an efficient scaffold hopping. J. Oyarzabal, T. Howe, J. I. Andres, J. Alcazar, R. M. Alvarez

TECH–51

TECHNICAL PROGRAM

COMP 9:15 57. Fragment based de novo design using an existing fragment based docking program, eHiTS. D. Reid, Z. Zsoldos, A. P. Johnson 9:40 Intermission. 9:55 58. Identification of a potent novel nonsteroidal progesterone receptor modulator from a virtual screen. R. J. Unwalla, A. Fensome, M. Marella, J. Cross, E. Melenski, J. Wilhelm, A. Olland, S. Wolfrom, H. Elokdah, J. Wrobel, R. C. Winneker, M. Yudt, S. Nagpal, J. Cohen 10:20 59. Virtual screening discovered catechol-containing compounds as STAT3 SH2 domain inhibitors. Y. Hu, W. Hao, X. Huang, C-P. B. Chang, J. Gibbons, J. Xu, C. Humblet 10:45 60. Searching for new targets for the inhibition of Acetyl-CoA carboxylase. M. E. McKenzie, G. L. Waldrop, B. Chen 11:10 61. Computer-aided design of novel Akt inhibitors targeting to the pleckstrin homology domain. L. Du-Cuny, G. Powis, E. J. Meuillet, E. Mash, S. Zhang

Section D Morial Convention Center Rm. 336 Quantum Chemistry Quantum-Methods

A. Roitberg, Organizer C. Bergonzo, Presiding 8:00 62. Computation of acidity constants in solution from vertical energy gaps. M. Sulpizi, A. Shah, M. Sprik 8:25 63. Dual-basis methods: Energies and derivatives with application to noncovalent interactions. R. P. Steele, R. A. DiStasio Jr., M. Head-Gordon 8:50 64. Semiempirical PM6 modeling of organic crystal structures. J. J. P. Stewart 9:15 Intermission. 9:40 65. Evaluating the accuracy of semiempirical QM/MM methods using replica exchange and AMBER 10: Phi/Psi free energy calculations of peptides in solution. R. C. Walker, G. D. M. Seabra, A. Roitberg 10:05 66. Stacking and hydrogen bonding: Effective fragment potential modeling of DNA bases. T. Smith, L. V. Slipchenko, M. S. Gordon 10:30 67. Multicentered ONIOM method for weakly bound noncovalent clusters: Recent advances and applications. G. S. Tschumper Cheminformatics Implications of Collaborations between Academia and Industry Sponsored by CINF, Cosponsored by CSA Trust and COMP

MONDAY AFTERNOON Section A Morial Convention Center Rm. 337 Computational Catalysis Nano Cosponsored by AIChE Computational Molecular Science & Engineering Forum (Group 21)

4:00 72. First principle calculations of supported catalysts: CO binding on MgO supported gold clusters and nanoparticles. G. Mpourmpakis, D. G. Vlachos

Section B Morial Convention Center Rm. 347 Thomas Kuhn Paradigm Shift Award Competition

A. Nicholls and A. G. Skillman, Organizers

TUESDAY MORNING Section A Morial Convention Center Rm. 337 Computational Phase Equilibria Cosponsored by AIChE Computational Molecular Science & Engineering Forum (Group 21)

J. I. Siepmann and J. K. Johnson, Organizers


8:00 82. Coarse-grain simulations of complex systems. J. J. de Pablo 8:40 83. Optimized expanded ensembles for simulations involving molecular insertions and deletions. F. A. Escobedo, F. J. Martínez-Veracoechea 9:20 84. Use of the AUA intermolecular potential to determine the solubility of hydrogen in oxygenated solvents. R. Lugo, N. Ferrando, C. Nieto-Draghi 9:40 Intermission. 9:50 85. Monte Carlo simulations for phase equilibria: Polymer solubility and quantum effects. C. D. Wick 10:30 86. Thermodynamics of solvent reorganization in solvent/co-solvent mixtures. N. F. van der Vegt, M-E. Lee, T. A. Ozal 11:10 87. Structure of liquid water from ab initio molecular dynamics at the complete plane wave basis set limit. O. Isayev, L. Gorb, J. Leszczynski 11:30 88. Treatment and importance of conformations in COSMO-RS. A. Klamt, M. Diedenhofen

Quantum Chemistry Quantum-Methods

Section B

A. Roitberg, Organizer


D. J. Sindhikara, Presiding

Replica Exchange: New Methods and Applications to Protein Folding and other Large Systems Applications to Protein Folding

1:00 Introductory Remarks. 1:05 73. Believe it or not: Understanding prediction confidence in computational drug discovery. D. Debe 1:45 74. Exploration of chemical space for drug discovery by database generation. J-L. Reymond 2:25 Intermission. 2:40 75. Considering a treatment of induced electronic polarization based on the Poisson equation. J-F. Truchon, A. Nicholls, A. Grant, B. Roux, R. I. Iftimie, C. I. Bayly 3:20 76. Extracting configurational entropy changes using a mutual-information expansion: Binding in the TSG101/PTAP complex. B. J. Killian, J. Y. Kravitz, P. Dasgupta, Y-P. Pang, M. K. Gilson 4:00 Concluding Remarks.

Section C

1:30 77. Natural linear scaled coupled cluster theory with local transferable triple excitations: Applications to polymers. T. F. Hughes, N. Flocke, R. J. Bartlett 1:55 78. Dispersion in combined ab initio/ effective fragment potential systems. T. Smith, L. V. Slipchenko, M. S. Gordon 2:20 79. Statistical correlation approach to improved thermodynamic predictions from DFT. A. M. Shough, D. J. Doren, D. M. DiToro 2:45 Intermission. 3:10 80. Pushing the limits of MCSCF. L. Roskop, M. S. Gordon 3:35 81. Reaction path analysis: Approximations and applications. W-J. van Zeist, A. H. Koers, L. P. Wolters, F. M. Bickelhaupt ADAPT’ing to Retirement: A Symposium Honoring Peter C. Jurs Sponsored by CINF, Cosponsored by COMP, PROF, and ANYL Cheminformatics Implications of Collaborations between Academia and Industry Sponsored by CINF, Cosponsored by CSA Trust and COMP


S. Rick, Organizer 8:00 89. Computing properties determining the stability diagram of a miniprotein in dilute aqueous solution by full atomic detail computer simulation. D. Paschek, A. E. Garcia 8:40 90. Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment. V. S. Pande, X. Huang, G. Bowman 9:20 Intermission. 9:40 91. Structure and dynamics of the A␤21-30 peptide from the interplay of NMR experiments and molecular simulations. T. Head-Gordon, N. L. Fawzi, A. Phillips, J. Z. Ruscio, M. Doucleff, D. Wemmer 10:20 92. Sampling sequences: Engineering protein structure and function with theoretical protein design. J. G. Saven


A. M. Rappe, S. Linic, and J. W. Bennett, Organizers


1:30 68. First principles study on the effect of metal and interface identities on thin film surface activity. V. R. Cooper, A. M. Kolpak, A. M. Rappe 2:00 69. Computational study of hydrogenated transition metal clusters on zeolite support. N. Roesch, G. P. Petrova, G. N. Vayssilov, E. A. Ivanova Shor, V. A. Nasluzov, A. M. Shor 2:30 70. Surface chemistry of gold nanostructures deposited on oxides: Oxidespecific O2 interactions with supported gold and the oxidation state of gold. S. Laursen, S. Linic 3:00 Intermission. 3:30 71. Density functional theory study of Pt and Pd-based pseudomorphic monolayer alloy catalysts for NOx storage reduction applications. J. Jelic, R. J. Meyer

Sci-Mix

Drug Discovery Mostly about Ligands Cosponsored by CINF, Financially supported by Merck Research Laboratories

E. X. Esposito, Organizer

I. Visiers, Organizer

8:00–10:00 116, 121, 127, 132, 136, 141, 143-144, 147, 154, 156, 162, 197, 202. See subsequent listings.

E. Feyfant, Presiding

52–TECH


8:00 93. Pharmacophore fingerprints and application to target class modeling. G. P. Brady, Z. P. Yang 8:25 94. Applications of target class pharmacophore fingerprint modeling and multiobjective genetic algorithm optimization to large-scale combinatorial library design for corporate compound collection enhancement. Z. Yang, G. P. Brady 8:50 95. Confirm: Connecting fragments in receptor molecules. D. C. Thompson, A. Denny, D. Joseph-McCarthy, C. Humblet, E. Feyfant

9:15 96. Fast and accurate method for flexible ligand superposition and shapebased screening. S. L. Dixon, P. Dalal, J. Gata-Aura, S. N. Rao, J. C. Shelley, B. W. Sherman 9:40 Intermission. 9:55 97. Combining clique-detection, MOGUL and MOGA for pharmacophore generation. D. A. Cosgrove, E. J. Gardiner, V. J. Gillet, R. Taylor 10:20 98. QSAR-based design of novel anti-HRV 2 agents. A. Artemenko, E. N. Muratov, V. E. Kuz’min, E. Varlamova, V. Makarov, O. Riabova, M. Schmidtke, P. Wutzler Cheminformatics: From Teaching to Research Recent Advances in Cheminformatics Research Sponsored by CINF, Cosponsored by COMP

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 337 Computational Catalysis Surfaces Cosponsored by AIChE Computational Molecular Science & Engineering Forum (Group 21)

A. M. Rappe, S. Linic, and V. R. Cooper, Organizers 1:30 99. Modeling the Fischer-Tropsch synthesis catalyzed on a Fe(1,0,0) surface. J. Lo, T. Ziegler 2:00 100. First-principles modeling of Ba(Ce1-x,Pdx)O3-x: Redox, structure, and chemistry. J. W. Bennett, R. Seshadri, S. L. Scott, A. M. Rappe 2:30 101. First-principles investigations of oxygen vacancies, copper adatoms, and their interactions on TiO2 (110). S. Lewis 3:00 Intermission. 3:30 102. Identification of surface intermediates through the combined use of molecular modeling and vibrational spectroscopy. J. W. Medlin 4:00 103. NO oxidation thermodynamics and kinetics at high O coverage on Pt(111). R. B. Getman, W. F. Schneider 4:30 104. Density functional theory study of CO oxidation on Pd alloy surfaces. M. B. Sullivan, J. Zhang, F. C. H. Lim, H-M. Jin, P. Wu

Section B Morial Convention Center Rm. 347 ACS Award for Computers in Chemical and Pharmaceutical Research: Symposium in Honor of J. Andrew McCammon

J. D. Madura, Organizer 1:00 Introductory Remarks. 1:10 105. Investigating allosteric communication in protein systems with new conformational fluctuation covariance analysis methods. M. J. Bradley, R. L. Rice, P. T. Chivers, E. Di Cera, N. A. Baker 1:50 106. Brownian dynamics with hydrodynamic interactions: Application to lipid bilayers and biomembranes. F. L. H. Brown 2:30 107. Ensemble approaches yield new scaffolds and new binding sites. H. A. Carlson 3:10 Intermission. 3:30 108. Molecular simulations of macromolecular behavior in physiological conditions. A. H. Elcock 4:10 109. Award Address (ACS Award for Computers in Chemical and Pharmaceutical Research, sponsored by Schrödinger). Adventures in computational chemistry. J. A. McCammon


COMP Section C Morial Convention Center Rm. 348 Molecular Mechanics Advancing Methodologies

E. X. Esposito, Organizer E. Asciutto, Presiding 1:30 110. The generalized Born model: Past, present, future? A. V. Onufriev 1:55 111. Salt effects and explicit ions in continuum representations of water. S. A. Hassan 2:20 112. Charge asymmetries in hydration of polar solutes. D. L. Mobley, A. Barber II, C. J. Fennell, K. A. Dill 2:45 Intermission. 3:00 113. Molecular dynamics with generalized effective fragment potentials. J. M. Mullin, M. S. Gordon 3:25 114. Novel algorithms enabling practical microsecond-scale molecular dynamics simulations. K. J. Bowers, E. Chow, R. O. Dror, M. P. Eastwood, B. A. Gregersen, J. Gullingsrud, M. Ø. Jensen, J. L. Klepeis, I. Kolossváry, R. A. Lippert, C. A. Rendleman, Y. Shan, H. Xu, D. E. Shaw 3:50 115. Programming generalized Born models for a SIMD architecture. I. C. Lagerstedt Careers in Chemical Information Sponsored by CINF, Cosponsored by CHAL, PROF, COMP, CEPA, and WCC Cheminformatics: From Teaching to Research Cheminformatics Education Sponsored by CINF, Cosponsored by COMP

TUESDAY EVENING Section A Morial Convention Center La Louisiane Blrm. C Poster Session

E. X. Esposito, Organizer 7:00–9:00 116. On the applicability of GPCR homology modeling to drug discovery: A comparison between crystal structure and in silico model of the ␤2 adrenergic receptor complexed with carazolol. S. Costanzi 117. Decomposition of high-energy density materials using high-level coupled-cluster theory. A. G. Taube, R. J. Bartlett 118. Building aromatic oligoamide foldamers. J. A. Geer, Z. Liu, V. Pophristic 119. Withdrawn. 120. Molecular dynamics of the RNA-binding domain of Influenza A NS1. C. Young, R. Manetsch, E. Rivera, A. van Olphen, A. E. Cardenas 121. TAE augmented scoring functions: Application to enzymatic and nonenzymatic proteins. S. Das, C. M. Breneman, N. Sukumar, M. D. Ryan 122. A novel computational strategy for identifying peptides that bind pancreatic lipase. J. Audie, A. Spock 123. Hypothesis-driven computational biophysics: A possible explanation for trypsinBPTI binding. J. Audie, K. Hannigan, K. Naik 124. Theoretical study of the glutamate receptor ligand binding domain flexibility and conformational reorganization. T. Mamonova, M. Kurnikova 125. A new strategy to drug discovery: Systems-based drug discovery. Z. Hu 126. Ab initio calculation of reaction between series of gilman cuprates and CH3I. J. Liu, J. P. Snyder 127. Acute toxicity of polynitroaromatics and products of their biotransformation on Vibrio fischeri: 2-D QSAR- study. A. Artemenko, A. V. Lyahovskij, V. E. Kuz’min, E. N. Muratov, L. Gorb, M. Quasim, J. Leszczynski

128. Amyloidogenic intermediates: A computational study of the conversion of the ␤-sheet to ␣-sheet structure. A. M. Canfield, S. Huo, H. Wu 129. Analysis of polarization effects in proteinwater simulations. S. Urahata, J. W. Ponder 130. Analysis of torsional effects and ring flipping in heavily substituted oxazolidine rings. P. M. Spoutz, M. C. Milletti 131. Application of the fault-injection system algorithm for chips coated with silsesquioxanes. Q. Pan, B. Hong, Q. Pan, L. Hu 132. Artificial neural network prediction of metal hydride properties with experimental and/or computational data. W. O. Griffin, J. A. Darsey 133. Atomic level computational identification of ligand migration pathways between solvent and binding site in myoglobin. J. Z. Ruscio, M. G. Prisant, T. Murali, A. V. Onufriev 134. Axial bonding in alkylcobalamins: DFT analysis of the inverse trans influence. J. Kuta, J. Wuerges, L. Randaccio, P. M. Kozlowski 135. Binding energies in dimers of N-methyl methyl carbamate, N-methyl S-methyl thiocarbamate, and N-methyl methyl dithiocarbamate. H. McAlexander, D. H. Magers 136. Calculation of adsorption free energy for peptide interactions with a crystalline polylactide polymer surface. C. O’Brien, D. A. Bruce, R. A. Latour Jr. 137. Calculation of rotational barriers for two iminium cation stereoisomers. L. A. Lello, M. C. Milletti 138. Calculations of the acidities of n-butylbenzene protons in aqueous media under normal and supercritical conditions. P. R. Alburquerque, T. Junk, B. Ramachandran 139. CCl4 adsorption and dissociation on Si(111)- √3x√3- Ag surface from first principles. X. Liu, H. Guo, C. Meng 140. Combinatorial QSAR analysis of histone deacetylase inhibitors and QSAR-based virtual screening. H. Tang, X. S. Wang, X-P. Huang, B. L. Roth, A. P. Kozikowski, A. Tropsha 141. Comparing the thermodynamic stability of skipped diene radicals: A model for the peroxidation of arachidonic acid. C. E. Tornow, M. C. Milletti 142. Comparison of density functionals and semiempirical methods for protonated creatinine. N. Settergren, E. A. Amin, P. Buhlmann 143. Comparison of DFT and MP2-based electronic models in the estimation of relative conformational and tautomeric energies and torsional potentials of druglike moieties. D. L. Cheney, K. A. Rossi 144. Comparison of pose generation and virtual screening accuracy for several molecular docking programs. J. B. Cross, D. C. Thompson, B. K. Rai, J. C. Baber, K. Y. Fan, Y. Hu, C. Humblet 145. Computational studies of gas phase and heterogeneous sulfur oxide reactions. J. M. Standard, P. Gorczynski, R. D. Quinn, M. T. Van der Hoven 146. Structure-activity relationships in FF neuropeptide studied with computational simulations. G. Leonis, M. Arrar, A. E. Roitberg 147. Computational study of the interaction of sulfoindocyanine dye Cy3 with single- and double-stranded DNA. E. Dolghih, J. Krause, A. E. Roitberg 148. Density functional study on the reductive elimination at an (NCN)Pt(IV) center. S. Hwang, H. Y. Woo, H. Cho, J. Jang 149. Density functional theoretical study on the proton migration in radical cations of substituted cytosine:guanine pair. Y. S. Cho, S. Hwang, Y. H. Jang


150. Density functional theory calculations on Ti and Li decoration in MOF-5. D. H. Jung, D. Kim, J. Kim, S-H. Choi 151. Deterioration of popular DFT model chemistries for electron affinities. D. Bates, G. S. Tschumper 152. Development of a QSPR method for the prediction of chemicals explosibility. G. Fayet, P. Rotureau, L. Joubert, C. Adamo 153. Direct dynamics study of [1,3]-sigmatropic shift of bicyclo[3.2.0]hept-2-ene to norbornene. L. Xu, C. E. Doubleday, K. N. Houk 154. Docking based pharmacophore modeling of combined AT1-PPAR gamma ligands. F. Shah, P. Mukherjee, M. A. Avery 155. Doublet-quartet gaps of substituted carbynes. K. A. Daniel, E. V. Patterson 156. Effects of salt concentration on the HIV Rev-RRE complex using molecular dynamics simulations. B. R. Miller III, J. A. Chenault, A. K. Sezhiyan, M. C. Nagan 157. Withdrawn. 158. Enhanced stacking interactions between nucleic acid base pairs upon hydrogenation. M. Mandziuk, J. Landers, F. Duffy 159. Enthalpies of formation of TNT derivatives by homodesmotic reactions. A. Sood, D. H. Magers 160. Establishing a balance between prediction accuracy and applicability domain of QSAR models. L. Ye, H. Zhu, A. Golbraikh, A. Tropsha 161. Evaluation of density functionals, semiempirical methods, SCC-DFTB and molecular mechanics force fields for prolylleucyl-glycinamide (PLG) analogs designed as dopamine D2 receptor modulators. E. A. Amin, R. L. Wood, R. L. Johnson, B. J. Young-Dixon 162. Exploring pharmacophore generation programs. K. Y. Fan, G. J. Tawa, C. Humblet 163. Fast folding of peptides and small proteins using the “temperature intervals with global energy reassignment” (TIGER) method. X. Li, S. J. Stuart, R. A. Latour 164. Finding the right path: Computational approach to DNA base eversion. C. Bergonzo, C. L. Simmerling 165. FITTED: A docking-based virtual screening tool for flexible and complex systems. C. R. Corbeil, J. Schwartzentruber, N. Moitessier 166. Formic acid tetramer: Hydrogen-bonding vs. ␲-stacking. G. Tipton, G. S. Tschumper 167. HiT QSAR analysis of chiral AchE inhibitors. V. Kuz’min, E. N. Muratov, A. G. Artemenko, L. Gorb, J. Wang, M. Quasim, J. Leszczynski 168. Homology modeling: Studying conformationally flexible loops near ligand binding sites. K. A. Rossi, C. A. Weigelt, A. Nayeem, S. R. Krystek Jr. 169. How do SET-domain protein lysine methyltransferases achieve the methylation state specificity? An ab initio QM/MM molecular dynamics study. P. Hu, S. Wang, Y. Zhang 170. Identification of inhibitors for blocking S100B-P53 interaction using virtual database screening. S. Zhong, P. T. Wilder, T. H. Charpentier, M. Liriano, D. J. Weber, A. D. MacKerell Jr. 171. Interplay of ␲-stacking and hydrogen bonding: An ab intio study of diacetylene/ water and cyanogen/water clusters. K. Copeland, G. S. Tschumper 172. Iterative refinement of parameters for computer simulation of peptides and proteins. P. J. Steinbach 173. Kinetic aspects of the oxygenation reaction mechanism in COX-1. M. A. Lukowski, M. C. Milletti 174. Kirkwood-Buff derived force fields for mixtures of thiols in water. N. Bentenitis, M. Mullins 175. Mechanism of hydrogen production by [Fe-Fe]-hydrogenase in DdH and CpI: A QM/MM study. S. Trohalaki, R. Pachter 176. Mixed quantum/classical studies of Trypanosoma Cruzi’s Trans-sialidase. J. M. Swails, Ö. Demir, G. D. M. Seabra, A. Roitberg

177. Molecular dynamics studies of human immunodeficiency virus RSG-1.2-RRE recognition. L. A. Michael, B. R. Miller III, M. C. Nagan 178. Molecular modeling of nonpeptidic agonists of glucagon-like peptide 1 (GLP-1) receptors. Z. Hu, W. M. Southerland 179. Novel derivatives of bicyclo[2.2.2]octane and their strain energies. E. C. Garrett III, E. J. Valente, D. H. Magers 180. ONIOM investigation of nucleotide selectivity in phosphodiesterases 3, 4, and 5. E. A. Salter, K. A. O’Brien, R. W. Edmunds, A. Wierzbicki 181. Predicting ligand binding affinity to the rat ␣4␤2 neuronal nicotinic receptor: Lessons from bayesian categorization modeling. D. C. Kombo, J-P. Strachan, J. Chewning, M. Lanning, P. S. Hammond, D. Yohannes, C. Woodward, D. F. Frey, S. R. Breining, C. H. Miller, G. J. Gatto 182. QSPR predictions of an aqueous solubility for military compounds using SiRMS. E. N. Muratov, V. E. Kuz’min, A. G. Artemenko, L. Gorb, M. Quasim, J. Leszczynski 183. Quantitative method for computational investigations of enzyme and antibody catalysis: The Kemp Elimination. G. Kiss, K. N. Houk, D. Baker, D. Hilvert 184. Quantitative structure-activity relationship modeling of the A2B adenosine receptor agonists. A. A. Ivanov, K. A. Jacobson 185. RankScore2: A novel scoring function for ligand-protein binding affinities. P. Englebienne, N. Moitessier 186. Reduced point charge approximation for speeding up the computation of electrostatic potential in biomolecular systems. R. Anandakrishnan, A. V. Onufriev 187. Relative stability of isomers of 2,3-disubstituted 1-aminoindenes. A. K. Magers, D. H. Magers 188. Relative stability of isomers of a dipseudoacid. P. J. Huwe, D. V. Liskin, E. J. Valente, D. H. Magers 189. Relativity aromaticity in pentacene derivatives. B. Cao, D. H. Magers 190. Significance of electrostatics at hydrogen bond donor and polarization at hydrogen bond acceptor: Insight through QM/MM simulation. V. S. Pakkala, J. A. Plumley, J. D. Evanseck 191. Simulated interactions between structured peptides and functionalized surfaces. G. Collier, S. J. Stuart, B. R. Brooks, R. A. Latour Jr. 192. Simulations of polypeptide folding using new efficient replica exchange methods. A. J. Lee, S. Rick 193. Strain energies in isomers of 1,3-cycloheptadiene and bicyclo[3.2.0]hept-6-ene. B. Magers, S. R. Davis, D. H. Magers 194. Structural effects of interstrand crosslinks on DNA through molecular dynamic simulations. A. J. Campbell, K. Song, A. Guainazzi, O. D. Scharer, C. L. Simmerling 195. Surflex-Docking into the minor groove of DNA. L. Wang, T. E. Mansley 196. Targeting the protein-protein interaction of Bcl-xL for drug discovery. P. Mukherjee, P. V. Desai, Y-D. Zhou, M. A. Avery 197. Temperature dependent structural dynamics of the Villin Headpiece Helical Subdomain: An ultrafast folding protein. L. Wickstrom, S. Brewer, R. B. Dyer, D. P. Raleigh, C. L. Simmerling 198. The free energy and entropy of a water molecule in hydrophobic cavities. H. Yu, S. Rick 199. The radical enhanced nucleation of water. S. J. Keasler, B. Chen, J. S. Francisco, R. B. Nellas 200. The role of the active site solvent in the thermodynamics of factor Xa-ligand binding. R. Abel, T. Young, R. Farid, B. Berne, R. A. Friesner 201. Unusual participation of the counterion in charge transfer copper(I) complexes. L. M. Matosziuk, T. Pintauer, J. D. Evanseck 202. Virtual screening with pharmacophore model: Application in search of novel CB1 antagonists. H. Wang, R. A. Duffy, G. Boykow, S. Chackalamannil, V. S. Madison

TECH–53

TECHNICAL PROGRAM

COMP Section B

Section B

Section B

Morial Convention Center La Louisiane Blrm. C



Chemical Computing Group Excellence Award

Replica Exchange: New Methods and Applications to Protein Folding and other Large Systems Methods

Model Applicability Domains: When Can I Use my Model? Cosponsored by CINF

A. Good, Organizer

C. M. Breneman and D. F. Ortwine, Organizers

10:50 250. Theoretical study of serially coupled chlorite-iodide oscillators. D. A. Long, L. Chodroff, T. M. O’Neal, S. Hemkin 11:20 251. An ab initio molecular dynamics study of the initial chemical events in nitramines: Thermal decomposition of CL-20. O. Isayev, L. Gorb, M. Qasim, J. Leszczynski

S. Rick, Organizer 7:00–9:00 203. Considering a treatment of induced electronic polarization based on the Poisson equation. J-F. Truchon, A. Nicholls, A. Grant, B. Roux, R. I. Iftimie, C. I. Bayly 204. Coupled-cluster theory on supercomputers. J. R. Hammond, K. Kowalski 205. FORECASTER: A new platform for drug discovery. P. Englebienne, C. R. Corbeil, N. Moitessier 206. Hydrophobic interaction in acidic aqueous solutions. H. Chen, G. A. Voth 207. Using computer simulations to explore pressure effects on proteins. S. Sarupria, S. Garde

Section C Morial Convention Center La Louisiane Blrm. C HP Scholar Award Poster Session

C. M. Breneman, Organizer 7:00–9:00 208. Determination of absolute configuration in solution. M. L. Abrams 209. Predictive electronic and vibrational many-body methods. S. Hirata 210. Advances in potentials of mean force methodology for organic and biological simulations. O. Acevedo 211. Integration of a bioinformatics approach to high-throughput docking and its application to the discovery of novel TNF receptor-associated factor 6 (TRAF6) inhibitors. S. Zhang, B. Darnay, L. Du-Cuny

WEDNESDAY MORNING Section A Morial Convention Center Rm. 337 Computational Evaluation of Rate Constants Cosponsored by AIChE Computational Molecular Science & Engineering Forum (Group 21)

8:00 218. Parallel tempering techniques for simulation of proteins. U. H. Hansmann, W. Nadler 8:40 219. Extracting averages and distributions from replica exchange simulations of large systems: A new version of WHAM. J-E. Shea, A. Jewett 9:20 220. Mechanisms of protein (un)folding and signaling state formation revealed with replica exchange. J. Juraszek, J. Vreede, M. Wolf, P. G. Bolhuis 10:00 Intermission. 10:40 221. A different architecture for expanded ensemble simulation: Adaptive AIS. E. Lyman, D. M. Zuckerman 11:20 222. Protein folding network, and energy landscape, studied by parallel Wang-Landau sampling. S. Takada 12:00 223. Protein folding using replica exchange and mechanism-based conformational searching. M. S. Shell, B. Ozkan, V. Voelz, A. Wu, K. A. Dill

Section C Section C Morial Convention Center Rm. 348 Drug Discovery Cosponsored by CINF, Financially supported by Merck Research Laboratories

Molecular Mechanics Biomolecular Simulations

E. X. Esposito, Organizer

P. Carlqvist, Presiding

C. R. Crecca, Presiding

8:00 224. Binding response: A method for the prediction of ligand binding sites on proteins. S. Zhong, A. D. MacKerell Jr. 8:25 225. Giving the Rule-of-5 a more accurate twist. G. Pearl, S. Bhal, I. G. Peirson, K. Kassam 8:50 226. Virtual screening for superior R-groups. R. D. Cramer 9:15 227. Histone deacetylase inhibitors: Reasons for isoform selectivity. G. Estiu, O. Wiest, E. Greenberg, R. Mazitschek, J. Bradner 9:40 228. Modeling the metabolic space in drug discovery. L. Terfloth, B. B. Bienfait, J. Gasteiger, C. H. Schwab

1:30 241. Solvation of carbon nanotubes using de-novo peptide helices: A molecular dynamics approach. C-C. Chiu, G. R. Dieckmann, S. O. Nielsen 1:55 242. Examination of proposed intercalation models for imidazoacridone related compounds. I. E. Weidlich, S. G. Tarasov, I. V. Filippov, M. C. Nicklaus 2:20 243. Computational studies of structureactivity relationships in FF neuropeptide. G. Leonis, M. Arrar, A. E. Roitberg 2:45 Intermission. 3:00 244. Computational study of the interaction of sulfoindocyanine dye Cy3 with single- and double-stranded DNA. E. Dolghih, J. L. Krause, A. E. Roitberg 3:25 245. Role of ligand-receptor flexibility in the design of apoptosis targeting agents: Insight from molecular dynamics. G. Krilov, Q. Wang, W. J. Novak, H. Wang

WEDNESDAY AFTERNOON Section A

8:00 Introductory Remarks. 8:05 212. A fast semiempirical approach to accurate rate constants. N. S. Ostlund, J. R. Barker 8:50 213. Rates of quantum states population and coherence relaxation during optical excitation of surfaces: A density matrix computational approach. D. A. Micha, A. S. Leathers, D. S. Kilin 9:35 Intermission. 9:50 214. Efficient estimators for quantum instanton evaluation of the kinetic isotope effects. J. Vanicek, W. H. Miller 10:20 215. Kinetic analysis of the pyrolysis of phenethyl phenyl ether with different substituents: Computational prediction of ␣/␤-selectivities. A. Beste, A. C. Buchanan III, R. J. Harrison 10:50 216. Transition state theory rate constants for intramolecular hydrogen transfer reactions in oxygenated radicals. K. T. Kuwata, T. S. Dibble, E. Sliz, E. B. Petersen 11:20 217. Two transition state model for radical-molecule reactions. S. J. Klippenstein, Y. Georgievskii, H. Sabbah, L. Biennier, I. R. Sims, I. W. M. Smith


54–TECH


I. Visiers, Organizer

T. N. Truong and H. DaCosta, Organizers


1:00 Introductory Remarks. 1:10 235. Domain applicability of ligand and structure-based virtual screening. A. Nicholls, M. McGann, P. Hawkins 1:35 236. Testing the limits of a QSAR model: How many cases are actually needed to develop a reliable predictive model? C. M. Sundling, C. M. Breneman, M. J. Embrechts, C. Huang, X. Wu, N. Sukumar 2:00 237. Automatic detection of outliers prior to QSAR studies. A. Golbraikh, H. Zhu, L. Ye, M. Wang-Bell, H. Tang, A. Tropsha 2:25 Intermission. 2:40 238. Combining global and local approaches to model domain applicability. R. Guha, D. T. Stanton 3:05 239. QSAR model stability: How much information is in the data? D. Ryan, M. McLellan, C. M. Breneman 3:30 240. Domain applicability: How far are ideal and reality? E. N. Muratov, V. E. Kuz’min, A. G. Artemenko

Computational Catalysis Electrocatalysis and the Impact of Environment Cosponsored by AIChE Computational Molecular Science & Engineering Forum (Group 21)

A. M. Rappe and S. Linic, Organizers 1:30 229. Surface segregation in nanoalloys under reaction conditions. P. B. Balbuena, Y. Ma, G. Ramirez-Caballero, J. R. Callejas-Tovar 2:00 230. First principles studies of electrochemical oxidation reactions at model solid oxide fuel cell (SOFC) anodes. D. Ingram, J. Mukherjee, S. Linic 2:30 231. Why PtVFe nanoparticles are better catalysts for oxygen reduction. T. Lin, J. Williams, L. Wang 3:00 Intermission. 3:30 232. Configurational correlations in the adsorption properties of atomic adsorbates on transition metal surfaces. J. R. Kitchin 4:00 233. First-principles prediction of switchable stoichiometry at interfaces. S. V. Levchenko, A. M. Rappe 4:30 234. Thermochemistry and kinetics of steam methane reforming on Ni(111) under realistic conditions. T. Ogura, D. W. Blaylock, G. J. O. Beran, W. H. Green Jr.

THURSDAY MORNING Section A Morial Convention Center Rm. 337 Computational Evaluation of Rate Constants Cosponsored by AIChE Computational Molecular Science & Engineering Forum (Group 21)

T. N. Truong and H. DaCosta, Organizers 8:00 Introductory Remarks. 8:05 246. Improved software user interfaces for computational prediction of kinetic rate constants. R. M. Shroll, G. D. Black, B. J. Palmer, W. L. Hase, T. L. Windus, S. Baidya, Y. Zhuang 8:50 247. The determination of reaction rate constants for H-atom abstraction from N2H4 by H, NH2, CH3, C2H5 and NO2. C. Chiung-Chu, M. Michael 9:35 Intermission. 9:50 248. Rate constants from biased and unbiased reactive path ensembles. B. M. Dickson, G. Henkelman, D. E. Makarov 10:20 249. Rate estimation rules for H abstraction reactions by H and CH3 from pure and oxygenated hydrocarbons. H-H. Carstensen, A. M. Dean

Section B Morial Convention Center Rm. 347 Replica Exchange: New Methods and Applications to Protein Folding and other Large Systems Applications

S. Rick, Organizer 8:00 252. Simulations of hydrogen clathrate hydrates. D. L. Freeman, W. Cardoen, E. Curotto, J. D. Doll 8:40 253. Calculation of the folding/unfolding thermodynamics of an RNA tetraloop by replica exchange molecular dynamics. A. E. Garcia, D. Paschek 9:20 Intermission. 9:40 254. Thermodynamic and transport properties of DNA from Monte Carlo simulations of a coarse-grained model. E. J. Sambriski, A. B. Oldham, T. A. Knotts IV, J. J. de Pablo 10:20 255. Calculation of adsorption free energy for peptide-surface interactions using biased-REMD simulations. N. A. Vellore, B. R. Brooks, D. A. Bruce, S. J. Stuart, R. A. Latour 10:40 256. Novel ligand-induced Survivin dimer conformation via replica exchange molecular dynamics (REMD) and receptorbased reverse virtual screening. I. H. Park, C. Li

Section C Morial Convention Center Rm. 348 Quantum Chemistry Quantum-Materials

A. Roitberg, Organizer V. S. Pakkala, Presiding 8:00 257. Testing, validation, and parameterization of density functionals and molecular orbital theory for zinc bio- and nanocenter coordination chemistry. E. A. Amin, D. G. Truhlar, A. Sorkin 8:25 258. Methane and silane dimer potentials from quantum chemistry calculations. S. D. Chao, A. H-T. Li 8:50 259. Nonequilibrium DFT properties of intramolecular hydrogen bonding in malonaldehyde, aminoacrolein, iminopropenylamine and derivatives. J. N. Woodford 9:15 Intermission. 9:30 260. Origin of Lewis acid strength within mixed boron halides. J. A. Plumley, J. D. Evanseck 9:55 261. Quantum chemical calculations of surface photovoltages: Applications to adsorbates on Si(111). D. S. Kilin, D. A. Micha 10:20 262. Solid memory: Structural preferences in Group 2 dihalide monomers, dimers, and solids. K. J. Donald, R. Hoffmann


COMP/ENVR THURSDAY AFTERNOON Section A Morial Convention Center Rm. 337 Molecular Modeling Applied on DPP-4 Inhibitor Programs Financially supported by Merck Research Laboratories

ENVR Division of Environmental Chemistry G. Coimbatore, Program Chair

Y-D. Gao, Presiding

OTHER SYMPOSIA OF INTEREST:

1:00 263. 3-D structural insights for DPP-IV inhibition with Abbott compounds. K. Longenecker 1:30 264. Structural biology and molecular modeling in the design of novel DPP-4 inhibitors. G. Scapin 2:00 265. Lessons about molecular recognition from structure-guided targeting of DPP-IV. B. Kuhn, M. Hennig, T. Luebbers, P. Mattei, J. U. Peters, M. Stahl 2:30 Intermission. 2:45 266. Structure, function and inhibitors of prolyl dipeptidase DPP8. X. Chen 3:15 267. Homology models of Dipeptidyl Peptidases 8 and 9. C. Rummey, G. Metz

Green Chemistry & Engineering (see I&EC, Mon, Tue)

Section B Morial Convention Center Rm. 347 Model Applicability Domains: When Can I Use my Model? Cosponsored by CINF

Speciation of Arsenic and Other Trace Elements in Soils and Sediments (see GEOC, Wed, Thu) Environmental Chemistry (see ANYL, Tue) Nanomaterials in Analytical Chemistry (see ANYL, Mon)

SOCIAL EVENTS: Dinner: Tue Social Hour: Tue

BUSINESS MEETINGS: Executive Committee Meeting: Sun Long Range Planning Meeting: Sun Program Planning Meeting: Sun

SUNDAY MORNING C. M. Breneman and D. F. Ortwine, Organizers 1:00 Introductory Remarks. 1:05 268. Applicability domains, space coverage, and predictive power of QSAR models. A. Tropsha, A. Golbraikh, H. Zhu 1:30 269. Testing the validity range of QSAR models using one-class support vector machines. M. J. Embrechts, C. M. Breneman, C. Huang, N. Sukumar 1:55 270. Assessment of additive/nonadditive effects in SAR: Implications in the drug discovery iterative process. Y. Patel, V. J. Gillet, P. Willet, J. Pastor, T. Howe, J. Oyarzabal 2:20 Intermission. 2:35 271. Similarity based assessment of model applicability domain and quantitative evaluation of the reliability of the prediction. P. Japertas, A. Sazonovas, R. Didziapetris, A. Petrauskas 3:00 272. Localizing uncertainty in PLS predictivity. R. D. Clark, G. Stahl, T. E. Mansley 3:25 273. Ensemble QSAR. G. D. Purvis III

Section C Morial Convention Center Rm. 348 Molecular Mechanics Advancing Methodologies

E. X. Esposito, Organizer L. Wickstrom, Presiding 1:00 274. Advanced multicanonical replica exchange simulations. D. J. Sindhikara, A. Roitberg 1:25 275. Force field evaluation based on NMR experiments and molecular dynamics simulations involving folded proteins. P. Maragakis, K. Lindorff-Larsen, M. P. Eastwood, R. O. Dror, J. L. Klepeis, D. E. Shaw 1:50 276. Multiscale Monte Carlo sampling of proteins. J. P. Nilmeier, E. A. Coutsias, M. P. Jacobson 2:15 Intermission. 2:40 277. Predicting protein structure using inter-residue distances. C. R. Crecca, A. E. Roitberg 3:05 278. The coordination environments of Cu(I) in proteins: Cu(I) parameter development for CHARMM. M. Harrison, A. Loccisano, C. T. Dameron, J. D. Evanseck

Section A Morial Convention Center Rm. 235 Environmental Behavior and Fate of Manufactured Nanomaterials Suspension and Sorption Cosponsored by ENGENV

J. A. Pedersen, Organizer B. Xing, Organizer, Presiding 8:30 Introductory Remarks. 8:35 1. Natural organic matter assisted dispersion of carbon nanotubes in the aqueous phase. H. Hyung, J. D. Fortner, J. B. Hughes, J-H. Kim 9:00 2. Natural organic matter enhanced dispersion of C60 in the aqueous phase. B. Xie, Q. Li 9:25 3. Role of macromolecules on aggregation size of titanium dioxide nanoparticles. D. S. Janjaroen, T. H. Nguyen 9:50 4. Study of aqueous nano-C60 formation and interaction with soil under typical groundwater conditions. P. Zhang, A. T. Kan, M. B. Tomson 10:15 Intermission. 10:30 5. Sorption of endocrine disrupting chemicals on carbon nanomaterials. B. Pan, B. Xing 10:55 6. Adsorption of selected organic chemicals onto multiwalled carbon nanotubes. K. Yang 11:20 7. Adsorption and desorption of arsenic on nanomagnetite. W. Yang, A. T. Kan, W. Chen, M. B. Tomson 11:45 8. Dissolved organic matter affects sorption of organic contaminants on carbon nanotubes. X. Wang, B. Xing



12:00 25. Heavy metal removal using natural zeolite packed ion exchange column. Ö. Can, D. Balkose, S. Ulku

SUNDAY AFTERNOON Advances in Adsorption Processes for Drinking Water Treatment and Sourcewater Protection Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

T. H. Nguyen and E. Morgenroth, Organizers D. R. U. Knappe, Organizer, Presiding 8:30 Introductory Remarks. 8:35 9. Activated carbon research progress and research needs. V. L. Snoeyink, L. Ding 9:15 10. Using TOC adsorption to predict the adsorption of MIB by granular and powdered activated carbon. R. S. Summers, S. M. Kim, H. Cho 9:35 11. Molecular interactions between synthetic organic contaminants (SOCs) and carbon nanotubes (CNTs): Effects of ␲-␲ interactions and size exclusion. J. E. Kilduff, H-N. Lim 9:55 12. MTBE adsorption: Evaluating EBCT, competition and fouling in the microgram/liter range. R. S. Summers, D. Dani, B. Zachman, C. Corwin, N. Blute, M. McGuire, D. Knappe 10:15 Intermission. 10:30 13. Kinetics of trace micropollutant adsorption and implications for modeling and adsorber design. R. S. Summers, C. Corwin, S. M. Kim 10:50 14. Optimizing a biologically active carbon (BAC) reactor for nitrate and perchlorate removal using biological activity and GAC adsorption capacity. X. Li, G. Upadhyaya, W. Yuen, J. Brown, E. Morgenroth, L. Raskin 11:10 15. Use of ozonation/biological-activated carbon for the control of disinfection by-products and biological stability in drinking water. S. Shu, J. Zhang 11:30 16. Use of high-silica zeolites for the targeted removal of taste and odor compounds from drinking water. D. R. U. Knappe, B. Yuncu 11:50 17. Delivery and targeting of functional aerosol particle in DNAPL remediation. J. Zhan, C. Day, G. Piringer, G. L. McPherson, Y. Lu, K. Papadopoulos, V. T. John

Section C Morial Convention Center Rm. 237 New Membranes and Resins for Wastewater Treatment Cosponsored by AIChE Environmental Division (Group 9)

A. Mueller, B. Guieysse, A. Jackson, and K. Rindfusz, Organizers A. Sarkar, Organizer, Presiding 8:30 18. Imprinted polymers for the removal of hydrophobic compounds from wastewater. C. Mercado, J. Mosey, S. A. Ashraf, A. Mueller 9:00 19. Removal of endocrine disrupting contaminants using molecularly imprinted polymers. B. Guieysse, M. Le Noir, B. Mattiasson 9:30 20. Imprinted polymers for the removal of hydrophilic metal complexes from water. S. A. Ashraf, A. Mueller 10:00 21. Removal of endocrine-disrupting compounds from water using macroporous molecularly imprinted selective media. M. Le Noir, F. M. Plieva, B. Mattiasson 10:30 22. Impact of calcium on struvite precipitation from anaerobically digested dairy wastewater. T. Zhang, K. Bowers, J. Harrison, S. Chen 11:00 23. Molecular design approach to the synthesis of thermally responsive metal affinity hydrogels. A. Nadarajah, G. Iyer 11:30 24. Gamma polymerized Zn(II) methacrylate for adsorbtion of Pb(II) from wastewater. B. Bilyeu, F. Ureña-Nuñez, C. Barrera-Díaz

Section A Morial Convention Center Rm. 235 Environmental Behavior and Fate of Manufactured Nanomaterials Fate and Transport Cosponsored by ENGENV

B. Xing, Organizer J. A. Pedersen, Organizer, Presiding 1:30 Introductory Remarks. 1:35 26. Effects of small molecular weight acids on C60 aggregate formation and transport. P. J. Vikesland, X. Chang, L. K. Duncan, J. R. Jinschek, M. Chan 2:00 27. Assessment of the fate of metal oxide nanomaterials in porous media. N. T. Loux, N. F. Savage 2:25 28. Effect of nanoparticle aggregation, particle size distribution and concentration on transport of surface-modified nanoscale zero-valent iron (NZVI) particles in saturated porous media. T. Phenrat, F. Fagerlund, H-J. Kim, T. Illangasekare, R. D. Tilton, G. V. Lowry 2:50 29. Effect of pH and clay on the transportability of surface-modified Fe0 nanoparticles in saturated sand columns. H-J. Kim, N. B. Saleh, T. Phenrat, R. D. Tilton, G. V. Lowry 3:15 30. Behavior, fate and effects of different TiO2 nanoparticles in the aquatic environment. F. Kammer, S. Ottofuelling, S. Weilhartner, T. Battin, T. Hofmann 3:40 Intermission. 3:55 31. Fate and transport of ionic and nanoparticle silver released from commercially available socks. T. M. Benn, P. K. Westerhoff 4:20 32. Analysis of Au nanorods in samples from an estuarine mesocosm study. T. J. Shaw, J. L. Ferry, C. R. Hexel, P. S. Craig, C. J. Murphy, S. Patrick, R. Frey, G. T. Chandler, A. Decho, P. Pennington, M. Fulton 4:45 33. Transport of surface stabilized zero-valent iron nanoparticles in 2-D flow system packed with porous media. S. R. Kanel, R. R. Goswami, T. P. Clement, M. O. Barnett, D. Zhao 5:10 34. Mobility of multiwalled carbon nanotubes in porous media. X. Liu, D. M. O’Carroll, E. Petersen, Q. Huang, L. Anderson

Section B Morial Convention Center Rm. 236 Advances in Adsorption Processes for Drinking Water Treatment and Sourcewater Protection Cosponsored by WaterCAMPWS, and AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth and D. R. U. Knappe, Organizers T. H. Nguyen, Organizer, Presiding 1:30 Introductory Remarks. 1:35 35. Use of adsorption media for arsenic removal from water. D. A. Lytle 2:15 36. Sorption of aqueous Hg(II) by machinawite (FeS). J. Liu, K. T. Valsaraj, I. Devai, R. D. Delaune 2:35 37. Iron oxide nanoparticle coating on glass substrates for both Arsenic and MS2 virus removal. X. Li, J. Wang, L. A. Gutierrez, T. H. Nguyen, J. Economy 2:55 38. Quantifying arsenic adsorption onto activated aluminum in the presence of other competing elements. T. Su, X. Guan, J. Wang 3:15 Intermission. 3:30 39. Evaluating above-ground permeable reactive barrier materials: Sorption efficiencies for orthophosphate-P and ammonia-N onto zeolite and limestone. R. Srinivasan, D. Hoffman, J. Wolfe III

TECH–55

TECHNICAL PROGRAM

ENVR 3:50 40. Environmental remediation through sequestration in surfactant micelles followed by sequestration in mesoporous materials. J. Zhou, D. Vavlekas, G. Tan, M. Singh, C. D. Ford, V. T. John, G. L. McPherson, J. He, A. Bose 4:10 41. Functionalized nanoporous inorganic-organic sorbents for the removal of phenolic compounds from water. M. Zavareh, C. W. Ingram, F. Ding 4:30 42. Synthesis and photocatalytic activity of TaOxNy and Ta3N5. J. Lucido, B. Bambgoye, R. Chandrasekharan, N. Ndiege, R. I. Masel, M. A. Shannon 4:50 43. Synthesis and characterization of Ta2O5-grafted SiO2 nanoparticles for photocatalytic applications. N. Ndiege, R. Chandrasekharan, W. N. Harris III, B. Bambgoye, J. Lucido, R. I. Masel, M. A. Shannon


9:50 55. Phytotoxicity of ZnO nanoparticle: Inhibition of ryegrass growth. D. Lin, B. Xing 10:15 Intermission. 10:30 56. Cytotoxicity and related inflammatory response for some manufactured metal oxide and carbon nanoparticulate material aggregates. K. M. Garza, L. E. Murr, K. F. Soto 10:55 57. Low cytotoxicity and lysosome location of malonic acid fullerene derivatives on rat primary brain capillary endothelial cells. F. Lao, C. Chen, D. Han, W. Li, F. Jiao, C. Ge, Y. Liu, Y. Zhao 11:20 58. Dispersion medium plays important role in nanomaterial safety evaluation. H. Meng, Z. Chen, G. Xing, H. Yuan, F. Zhao, C. Zhang, Y. Zhao 11:45 59. Bacterial toxicity of multiwalled carbon nanotubes. S. Kang, M. Elimelech


New Membranes and Resins for Wastewater Treatment Cosponsored by AIChE Environmental Division (Group 9)

Advances in Adsorption Processes for Drinking Water Treatment and Sourcewater Protection Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

A. Sarkar, B. Guieysse, A. Jackson, and K. Rindfusz, Organizers

E. Morgenroth, Organizer

A. Mueller, Organizer, Presiding

T. H. Nguyen and D. R. U. Knappe, Organizers, Presiding

1:30 44. Development of nanostructured smart membranes. C. Gorey, I. Escobar, C. L. Gruden, M. R. Coleman 2:00 45. Fluids treatment without membrane fouling: Use of micro- and nanoengineered membranes and flow induced segregation. J. Kromkamp, M. Rosso, K. Schroën, R. van der Sman, R. M. Boom 2:30 46. Structured membranes for water treatment. R. G. H. Lammertink, Z. Culfaz, W. Nijdam, M. Wessling 3:00 47. Dendritic polymer networks: A new class of nanostructured antifouling coatings. P. R. Dvornic, A. Sarkar, J. Rousseau, C. Hartmann-Thompson, A. Merrington, P. Carver, T. Zhang, S. E. Keinath 3:30 48. TiO2 nanowire free-standing membrane for water treatment by concurrent filtration and photocatalytic oxidation. X. Zhang, A. J. Du, J. H. Pan, Y. Wang, D. D. Sun, J. O. Leckie 4:00 49. High throughput synthesis and NOM screening for membrane filtration. M. Zhou, J. E. Kilduff, H. Liu, D. G. Anderson, R. S. Langer, G. Belfort 4:30 50. Apply the modified PVDF UF membrane to oil-field wastewater treatment. Q. Zhao, S. Yu, H. Lu, J. Xu, J. Yang 5:00 51. Novel low-pressure membranebased technique for arsenic removal from wastewater. S. Bandyopadhyay, H. S. Maiti

MONDAY MORNING Section A Morial Convention Center Rm. 235 Environmental Behavior and Fate of Manufactured Nanomaterials Exposure and Toxicity Cosponsored by ENGENV

J. A. Pedersen, Organizer B. Xing, Organizer, Presiding 8:30 Introductory Remarks. 8:35 52. Partitioning of Au nanorods in saline estuarine mesocosms. J. L. Ferry, P. S. Craig, R. Frey, C. R. Hexel, T. J. Shaw, C. J. Murphy, S. Patrick, A. Decho, G. T. Chandler, P. Pennington, M. Fulton 9:00 53. Assessing environmental exposure potential of nano-TiO2. C. O. Robichaud, M. R. Wiesner 9:25 54. Assessing response to C60 fullerene in Saccharomyces cerevisiae and E. coli. A. Hadduck, V. Hindagolla, B. Xie, Q. Li, A. T. Bakalinsky

56–TECH

8:30 Introductory Remarks. 8:35 60. Study of hydrophobic water interfaces with phase-sensitive sum-frequency vibrational spectroscopy. C. Tian, Y. R. Shen 8:55 61. Vibrational spectroscopy on alumina/water interfaces with surface charges. L. Zhang, Y. R. Shen, C. Tian, G. A. Waychunas 9:15 62. Nitrate and perchlorate removal from water using ion exchange fibers. J. S. Ince, J. L. Langer, J. Economy

Section C Morial Convention Center Rm. 237 Membrane Technology for Water Treatment and Reuse Hybrid Processes and Process Development Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, S. W. Hermanowicz, J. G. Georgiadis, N. M. Assaf-Anid, J. A. Bergendahl, M. E. Ternes, R. W. Pike, R. W. Peters, and T. K. Das, Organizers D. G. Cahill, Organizer, Presiding 8:30 Introductory Remarks. 8:35 63. Surface-modified ceramics for membrane distillation of high salinity waters. Z. D. Hendren, J. A. Brant, M. R. Wiesner 8:55 64. Removal of perfluorochemicals via nanofiltration. E. K. Steinle-Darling, M. Reinhard 9:15 65. Impact of microfiltration on biofouling of reverse osmosis membranes. M. Herzberg, D. Berry, A. M. Briones Jr., L. Raskin, M. Elimelech 9:35 66. Prefiltration of influent does not alter the bacterial community structure of biofilms on reverse osmosis membranes. D. Berry, M. Herzberg, A. M. Briones Jr., M. Elimelech, L. Raskin 9:55 67. Design and testing of a precipitator for water desalination. M. C. Nsumuna, D. D. Chen, G. A. Mensing, J. G. Georgiadis, M. A. Shannon 10:15 Intermission. 10:30 68. Low-pressure membrane-based novel technique for decontamination of potable water and wastewater treatment. S. Bandyopadhyay, H. S. Maiti


10:50 69. Evaluation of antifouling ultrafiltration membranes containing PAN-g-PEO additive in anaerobic membrane bioreactors. P. T. Tontcheva, A. Asatekin, A. M. Mayes, S. I. Padmasiri, L. Raskin, E. Morgenroth 11:10 70. Performance of polyacrylonitrilegraft-poly(ethylene oxide) containing ultrafiltration membranes. A. Asatekin, A. M. Mayes 11:30 71. Pilot study on a hybrid nanometermodified ultrafiltration and electrodialysis process demineralizing oilfield polymerflooding sewage for reuse. J. Xu, S. Yu, Q. Zhao, H. Liang, X. Zuo, R. Bao 11:50 72. Start-up characteristics and steady-state performance of UF-sMBR for drinking water treatment—with PAC as the support for bacterial growth. J. Tian, X. Li, S. Tian, J. Zhang, G. Li The Impact of Hurricane Katrina from an Environmental and Petrochemical Perspective Sponsored by GEOC, Cosponsored by The Clay Minerals Society, ENVR, YCC, and ENGENV

MONDAY AFTERNOON Section A Morial Convention Center Rm. 235 Environmental Behavior and Fate of Manufactured Nanomaterials Exposure and Toxicity Cosponsored by ENGENV

B. Xing, Organizer J. A. Pedersen, Organizer, Presiding 1:30 73. Transformation and toxicity of engineered metal and metal chalcogenide nanoparticles under simulated environmental conditions. K. M. Metz, P. N. Wiecinski, R. J. Hamers, J. A. Pedersen 1:55 74. In vivo nanomaterial-biological interactions: Defining structure response relationships. R. L. Tanguay, C. Usenko, S. L. Harper 2:20 75. Fullerenol C60(OH)x influences the tubulin polymerization and cell mitosis. H. Sun, Y. Li, Y. Zhao, X. Zhang, Y. Liu 2:45 76. Gold nanoparticles induce oxidative damage in lung fibroblasts in vitro. J. J. Li, B-H. Bay, L-Y. L. Yung 3:10 77. Effects of five nanomaterials on Gymnodinium breve. Z-Y. Wang, Z-J. Tian, F-M. Li, D-M. Gao, B. Xing 3:35 Intermission. 3:50 78. Effects of intact and degraded quantum dots on bacterial growth. S. Mahendra, H. Zhu, V. L. Colvin, P. J. Alvarez 4:15 79. Metal oxide nanoparticles show toxicity to bacteria. H. Mashayekhi, W. Jiang, B. Xing 4:40 80. Translocation and neurotoxicity of iron oxide nanoparticles in the central nervous system. W. Feng 5:05 81. Spatial distribution and speciation of Au and Zn in terrestrial organisms exposed to Au and ZnO nanoparticles. J. M. Unrine, P. M. Bertsch, S. E. Hunyadi, H. Ma, L. A. Newman, P. L. Williams


1:55 83. Withdrawn. 2:20 84. Chemical, toxicological and benthic community analysis of Violet Marsh sediments following Hurricane Katrina. B. C. Suedel 2:45 85. Heavy metal distribution in postKatrina New Orleans and Louisiana Peninsula. T. Su, S. Shu, H. Shi, J. Wang, C. D. Adams, E. C. Witt 3:10 86. Environmental impacts of Hurricane Katrina: Investigation of in-home multiphase contaminant distributions. N. Ashley, K. T. Valsaraj, L. Thibodeaux

Section C Morial Convention Center Rm. 237 Membrane Technology for Water Treatment and Reuse Biological and Inorganic Fouling of Membranes Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, D. G. Cahill, J. G. Georgiadis, D. Bhattacharyya, N. M. Assaf-Anid, J. A. Bergendahl, M. E. Ternes, and T. K. Das, Organizers S. W. Hermanowicz, Organizer, Presiding 1:30 Introductory Remarks. 1:35 87. Biofilms in water separation membrane processes: From community structure and ecological characteristics to monitoring and control. W-T. Liu, C-M. Pang 2:15 88. Biofilm prevention on photoreactive ceramic membranes. S. Ciston, R. M. Lueptow, K. Gray 2:35 89. Dynamics of biomass membrane filtration. S. W. Hermanowicz, J. W. Cho, R. S. Trussell, R. P. Merlo, D. Jenkins 2:55 90. Microfluidic filtration. I. S. Ngene, R. G. H. Lammertink, M. Wessling, W. G. van der Meer 3:15 Intermission. 3:30 91. Surface modification of microfiltration membranes to decrease biofouling. R. Malaisamy, D. Berry, T. B. Borrell, D. Holder, L. Raskin, K. L. Jones 3:50 92. Crossflow nanofiltration (NF) of natural nanoparticles and organic matters (NOM): Fouling, transport and interaction effects. Y. Yuan, J. E. Kilduff 4:10 93. Evaluation of fouling constituents in membrane bioreactors: Extracellular polymeric substances and inorganic precipitation. T. B. Borrell, C. Donahue, J. C. Cho, E. Morgenroth, J. Kim, L. Raskin, S. J. Skerlos 4:30 94. Influence of shear on EPS production in membrane bioreactors. A. L. Menniti, S. Kang, M. Elimelech, E. Morgenroth 4:50 95. Reversibility of bacterial adhesion onto ultrafiltration membranes containing polyacrylonitrile-graft-poly(ethylene oxide) comb copolymer additives. A. Adout, S. Kang, A. Asatekin, A. M. Mayes, M. Elimelech Chemical Evolution from Origins of Life to Modern Society Origins and Evolution Sponsored by CHED, Cosponsored by ENVR, GEOC, and ORGN Undergraduate Research Poster Session: Environmental Chemistry Sponsored by CHED, Cosponsored by ENVR and SOCED

Natural Disasters: Identifying and Addressing Environmental Concerns Cosponsored by ENGENV

G. P. Cobb III and C. R. Demas, Organizers, Presiding 1:30 82. Environmentally relevant lead concentrations used to predict exposure to New Orleans residents. M. T. Abel


ENVR MONDAY EVENING Section A Morial Convention Center Hall A Sci-Mix

G. Coimbatore, Organizer 8:00–10:00 123, 187, 192, 199, 201-202, 212, 241, 287. See subsequent listings.

TUESDAY MORNING Section A Morial Convention Center Rm. 235 Environmental Behavior and Fate of Manufactured Nanomaterials Toxicity and Property Cosponsored by ENGENV

J. A. Pedersen, Organizer B. Xing, Organizer, Presiding 8:30 Introductory Remarks. 8:35 96. Tracing of engineered metal and oxide nanoparticles in soil and earthworms using neutron activation. E. J. Joner, T. Hertell-Aas, E. Pellicer, E. Mendoza, D. H. Oughton 9:00 97. Effects of copper nanoparticles on the development of zebrafish embryos. W. Bai, H. Liu, Z. Zhang, Y. Zhao 9:25 98. Hematological effects induced by subacute inhalation of silica nanoparticles. Z. Chen, T. Wang, H. Meng, G. Xing, H. Yuan, C. Zhang, C. Ye, F. Zhao, Z. Chai 9:50 99. Inhibition of different nanomaterials on acetylcholinesterase. Z-Y. Wang, J. Zhao, D-M. Gao, F-M. Li, B. Xing 10:15 Intermission. 10:30 100. Aqueous solubility and octanolwater partition coefficient (Kow) of C60. P. P. Kulkarni, C. T. Jafvert 10:55 101. Catalytic degradation of indigo dye by aqueous stable C60 aggregates. B. Zhang, J. D. Fortner, J. Lee, C-H. Huang, J. Kim, J. B. Hughes 11:20 102. Changes in dispersion status and photochemical property of C60 in the aqueous phase by encapsulating agents. J. Lee, Y. Yamakoshi, J. B. Hughes, J-H. Kim 11:45 103. Photochemical transformation of aqueous C60 clusters in sunlight. W-C. Hou, C. T. Jafvert 12:10 Concluding Remarks.

Section B Morial Convention Center Rm. 236 Advances in Drinking Water Disinfection and Disinfection Byproduct Management Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, D. Lantagne, L. Moeti, and E. A. Mintz, Organizers B. J. Mariñas, Organizer, Presiding 8:30 Introductory Remarks. 8:35 104. Award Address (ACS Award for Creative Advances in Environmental Science and Technology, sponsored by Air Products and Chemicals, Inc., in memory of Joseph J. Breen). Water, water everywhere, but is it safe to drink? S. D. Richardson 9:15 105. Induction of mammalian cell chronic cytotoxicity and acute genomic DNA damage by drinking water disinfection byproducts. M. J. Plewa, M. G. Muellner, S. D. Richardson, E. D. Wagner 9:35 106. Development of normal human colon cell cultures to identify priority unregulated disinfection byproducts with a carcinogenic potential. A. DeAngelo, C. Jones, S-F. Thai, Y. Ge, M. Moyer

9:55 107. Human toxicogenomic analysis of bromoacetic acid: A regulated drinking water disinfection byproduct. M. G. Muellner, M. E. Hudson, E. D. Wagner, M. J. Plewa 10:15 Intermission. 10:30 108. Metabolic activation of N-nitrosamine drinking water disinfection byproducts and their induction of genomic DNA damage in mammalian cells. K-M. Hsu, W. A. Mitch, E. D. Wagner, M. J. Plewa 10:50 109. Evaluation of enhanced coagulation and chloramination for controlling DBPs in consecutive systems. M. J. Sclimenti, S. W. Krasner, Z. Chowdhury, C. Hill 11:10 110. Selective detection and formation of highly polar brominated disinfection byproducts in drinking water. X. Zhang, G. Ding, J. W. Talley, B. Boggess 11:30 111. Survey of nitrosamines in drinking water systems. Y-Y. Zhao, J. Boyd, M. Wagner, F. Qin, Xing-F. Li 11:50 112. Evaluation of the adsorption– pyrolysis–titrimetric method for the measurement of drinking water total organic halogen. Y. Li, X. Zhang, C. Shang

11:50 122. Electrical double layer on gold probed by static and dynamic force measurements using AFM. Y. Wu, M. A. Shannon Chemical Evolution from Origins of Life to Modern Society Chemistry Deciphers Evolution and Probes Nature Sponsored by CHED, Cosponsored by ENVR, GEOC, and ORGN Partnering for Innovation and Competitiveness: Opportunities for the Chemical Enterprise in Energy and Environment Sponsored by COMSCI, Cosponsored by AIChE Management Division (Group 5), ACS Corporation Associates, BMGT, CHAL, PETR, SCHB, ENGENV, ENVR, PROF, CEPA, and TECH

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 235

Section C

Black Carbon Measurements In Air, Water And Other Media


R. Edwards and R. Subramanian, Organizers, Presiding

2:55 134. SoChlor: A new point-of-use disinfection approach for the control of viral pathogens in ammoniacal waters. M. A. Page, B. J. Mariñas, J. L. Shisler 3:15 Intermission. 3:30 135. Deactivation of helminth eggs using solar-driven advanced oxidation processes coupled with free chlorine. L. González, J. L. García, B. Corona Vasquez, E. R. Bandala 3:50 136. Mechanistic aspects of adenovirus inactivation by UV light and chlorine. M. A. Page, K. Sirikanchana, J. L. Shisler, B. J. Mariñas 4:10 137. Antibacterial activity of a novel material system consisting of iron oxide and Ag nanoparticles on a fiberglass substrate. G. N. Nangmenyi, E. A. Mintz, X. Li, T. H. Nguyen, J. Economy 4:30 138. Target of synthetic antimicrobial oligomer in bacterial membranes. L. Yang, V. Gordon, A. Som, J. E. Cronan Jr., G. N. Tew, G. C. L. Wong 4:50 139. Disinfection of gram-negative and gram-positive bacteria using DYNAJETS® resonating cavitating jets. G. A. Loraine, G. L. Chahine, C-T. Hsiao

Section C

Membrane Technology for Water Treatment and Reuse Advances in Membrane Materials and Membrane Science Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, D. G. Cahill, S. W. Hermanowicz, N. M. Assaf-Anid, J. A. Bergendahl, M. E. Ternes, R. W. Pike, R. W. Peters, and T. K. Das, Organizers J. G. Georgiadis, Organizer, Presiding 8:30 Introductory Remarks. 8:35 113. Molecular dynamics simulation of reverse osmosis. M. E. Suk, A. V. Raghunathan, N. R. Aluru 8:55 114. Binding of oxyanions to dendritic nanopolymers in aqueous solutions. M. Diallo, T. N. Shah, W. A. Goddard III 9:15 115. Recovery of nitrate and sulfate from contaminated water by cross-flow dendrimer enhanced filtration. T. N. Shah, M. Diallo, W. A. Goddard III 9:35 116. AFM force measurements as a tool for characterizing antifouling property of UF membranes containing poly(ethylene oxide) comb copolymer additives. S. Kang, A. Asatekin, A. M. Mayes, M. Elimelech 9:55 117. Development of NF membrane based on rigid star amphiphiles. T. Suzuki, Y. Lu, M. Jiang, J. S. Moore, S. Granick, B. J. Mariñas 10:15 Intermission. 10:30 118. Preparation of nanofiltration membranes by chemical modification of P84 polyimide membranes using polyethylenimine. C. Ba, J. Economy 10:50 119. Quantification of functional groups in FT30 (RO) membrane and modeling of their acid/base behavior. O. Coronell, X. Zhang, M. I. Gonzalez, D. G. Cahill, B. J. Mariñas 11:10 120. Water vapor absorption in the polyamide active layer of reverse osmosis (RO) membranes. X. Zhang, D. G. Cahill, J. G. Georgiadis 11:30 121. Concentration polarization disruption in reverse osmosis and nanofiltration processes. J. Minier-Matar, O. Coronell, B. Mi, B. J. Mariñas, C. V. Falkenberg, D. Chen, J. G. Georgiadis


1:30 Introductory Remarks. 1:33 123. Measurement of aerosol absorption amplification of coated particles using photothermal interferometry. A. J. Sedlacek III, J. Lee 1:58 124. Photoacoustic analysis of aerosol light absorption and its relationship with black carbon mass concentration. W. P. Arnott, G. Paredes-Miranda 2:23 125. Raman microspectroscopic analysis of soot structure and reactivity. N. P. Ivleva, M. Knauer, U. Pöschl, R. Niessner, C. Haisch 2:48 126. Toward a standardized thermaloptical protocol for measuring atmospheric organic and elemental carbon: The EUSAAR protocol. F. Cavalli, J-P. Putaud 3:13 127. Measurement of black carbon contents in soils, surface water sediments and groundwater sediments using chemical treatment, petrographic and thermal oxidation methods. C. J. Werth, Y. Yang, S. Jeong, B. Ligouis, M. Razzaque 3:38 Intermission. 3:48 128. Novel optical absorption approach for black carbon (BC) measurement in snow. M. M. Shafer, J. J. Schauer, M. Bergin 4:13 129. Ultratrace analysis of black carbon in water by single particle intracavity laserinduced incandescence. R. Edwards, J. R. McConnell 4:38 130. Pyrene fluorescence loss measurements of black carbon in seawater. D. X. Flores-Cervantes, C. M. Reddy, P. M. Gschwend 5:03 Discussion. 5:28 Concluding Remarks.


E. Morgenroth, B. J. Mariñas, L. Moeti, and E. A. Mintz, Organizers D. Lantagne, Organizer, Presiding 1:30 Introductory Remarks. 1:35 131. Household water treatment and safe storage for the developing world: New developments from the lab and the field. M. D. Sobsey 2:15 132. Looming crisis in the world’s freshwater supplies and availability, particularly in developing countries. K. B. Bota, M. A. Shannon 2:35 133. Implementing water projects in developing countries: Addressing technical barriers to scaling-up. D. Lantagne

Morial Convention Center Rm. 237 Advances in Abiotic Transformation Processes for Micropollutants in Drinking Water and for Sourcewater Protection Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, J. Farrell, C. J. Werth, N. M. Assaf-Anid, J. A. Bergendahl, M. E. Ternes, and T. K. Das, Organizers T. J. Strathmann, Organizer, Presiding 1:30 Introductory Remarks. 1:35 140. Oxidation processes in water treatment: Options and limitations for micropollutant elimination. U. von Gunten 2:15 141. Assessing abiotic reduction of nitroaromatic groundwater contaminants in using compound-specific stable isotope analysis. T. B. Hofstetter, A. E. Hartenbach, A. Neumann, M. Sander, M. Berg, W. A. Arnold, C. J. Cramer, T. J. Strathmann, R. P. Schwarzenbach 2:35 142. Polyoxometalate-enhanced oxidation of organic compounds by nanoparticulate zero-valent iron and ferrous ion. C. Lee, C. R. Keenan, D. L. Sedlak 2:55 143. Ultrasonic irradiation for the destruction of aqueous PFOS and PFOA. C. D. Vecitis, H. Park, J. Cheng, B. Mader, M. R. Hoffmann 3:15 Intermission. 3:30 144. Oxidation of carbamazepine by permanganate and ferrate. L. Hu, O. Arce-Bulted, M. Sugihara, H. Martin, T. J. Strathmann 3:50 145. Research progress in the use of potassium ferrate(VI) for oxidation of endocrine disruptors and pharmaceuticals in water. V. K. Sharma 4:10 146. Advanced oxidative treatment of saline-impacted waters. J. E. Grebel, J. Pignatello, W. A. Mitch 4:30 147. Validation of a quantitative structure-activity relationship as means to redesign an enzyme for enhanced pollutant degradation. L. M. Colosi, Q. Huang, W. J. Weber Jr. 4:50 148. Total oxidative degradation of formulated chlorpyrifos using Fe-TAML and peroxide. A. Chanda, L. Espinosa-Marvan, S. K. Khetan, T. J. Collins Chemical Evolution from Origins of Life to Modern Society Evolutionary Ideas and Applications Sponsored by CHED, Cosponsored by ENVR, GEOC, and ORGN

TECH–57

TECHNICAL PROGRAM

ENVR TUESDAY EVENING Polymers for Remediation and the Environment Sponsored by POLY, Cosponsored by ENVR and ENGENV

WEDNESDAY MORNING Section A Morial Convention Center Rm. 235 Sensors for Detection and Quantification of Contaminants in Drinking Water and the Environment Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), ANYL, and ENGENV

E. Morgenroth and D. T. Chiu, Organizers P. W. Bohn, Organizer, Presiding 8:30 Introductory Remarks. 8:35 149. New analytical techniques and their potential application toward the quantification of contaminants in drinking water. D. T. Chiu 9:15 150. Enzymatic reactivity in geometrically confined spaces. Z. Wang, P. W. Bohn 9:35 151. Preconcentrating minicolumn sensors: A new concept for trace environmental sensing. J. W. Grate, M. J. O’Hara, O. B. Egorov 9:55 152. Quantifying pCBA radical chemistry: Kinetics and mechanisms of hydroxylated product formation and decay. S. P. Mezyk, D. Doud, F. L. Rosario-Ortiz, B. Vanderford, S. Snyder 10:15 Intermission. 10:30 153. Nanostructured smart membranes for microbial sensing. C. L. Gruden, G. Cai, C. Gorey, I. Escobar 10:50 154. Pseudopolarographic determination of Cd2+, Pb2+, and Cu2+ complexes found in sewage treatment plant (STP) effluent. T. F. Rozan, I. D. Clark 11:10 155. SERS-based method for pathogen monitoring in drinking water. K. Rule, P. J. Vikesland 11:30 156. Detection of low molecular weight contaminants with a field-portable immunosensor. S. J. Melton, E. A. James, M. B. Henry, H. Yu, D. A. Blake 11:50 157. Microfluidic/nanofluidic sensors using catalytic DNA for heavy metal detection. T. S. Dalavoy, J. V. Sweedler, P. W. Bohn, Y. Lu, M. A. Shannon, D. Cropek


B. J. Mariñas, E. Morgenroth, D. Lantagne, and L. Moeti, Organizers E. A. Mintz, Organizer, Presiding 8:30 Introductory Remarks. 8:35 158. Reduction of NDMA formation potential and direct NDMA formation during ozonation: A contradiction? U. von Gunten, C. Lee, C. K. Schmidt, W. A. Arnold 8:55 159. Amino acid disinfection byproducts: Insights into formation, isolation and toxicity. S. S. Walse, W. A. Mitch


58–TECH

9:15 160. Enhanced chlorination and disinfection byproduct formation of organic contaminants by tertiary amines. A. D. Shah, J-H. Kim, C-H. Huang 9:35 161. Benzalkonium chloride: An abundant precursor to NDMA in chlorinated drinking water. S. S. Walse, W. A. Mitch 9:55 162. Free radical chemistry of the mono- and dihalonitromethanes. W. J. Cooper, S. P. Mezyk, S. K. Cole, B. J. Mincher, P. R. Gardinali 10:15 Intermission. 10:30 163. Photocatalytic inactivation of viruses using titanium dioxide nanoparticles and low-pressure UV light. D. W. Gerrity, H. Ryu, M. Abbaszadegan, J. C. Crittenden 10:50 164. Palladium-modification of nitrogen-doped titanium oxide for enhanced visible-light photocatalytic activity. Q. Li, Y. W. Li, R-C. Xie, M. A. Page, R. Jinks, B. J. Mariñas, E. A. Mintz, J. Economy, J-K. Shang 11:10 165. Deactivation of MS2-coliphage with nanostructured Ta2O5-SiO2. W. N. Harris III, N. Ndiege, R. Chandrasekharan, S. Mehrabi, M. A. Shannon, T. H. Nguyen, E. A. Mintz 11:30 166. Adsorption kinetics of bacteriophage MS2 on silica surface coated with natural organic matter. T. H. Nguyen, B. Yuan, H. Lee 11:50 167. Role of ionic strength on deposition kinetics of Cryptosporidium parvum oocysts to natural organic matter. Y. Liu, M. S. Kuhlenschmidt, T. B. Kuhlenschmidt, T. H. Nguyen

Section C Morial Convention Center Rm. 237 Advances in Abiotic Transformation Processes for Micropollutants in Drinking Water and for Sourcewater Protection Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, T. J. Strathmann, N. M. Assaf-Anid, J. A. Bergendahl, M. E. Ternes, R. W. Pike, R. W. Peters, and T. K. Das, Organizers C. J. Werth, Organizer, Presiding 8:30 Introductory Remarks. 8:35 168. Residual antibacterial activity of photolytically- and photocatalyticallytreated aqueous solutions of the antibacterial agent ciprofloxacin. T. Paul, M. C. Dodd, U. von Gunten, T. J. Strathmann 8:55 169. Effects of water parameters on the degradation of microcystin-LR under solar light-activated TiO2 photocatalysts. M. Pelaez, M. G. Antoniou, H. Choi, A. A. de la Cruz, J. A. Shoemaker, D. D. Dionysiou 9:15 170. Photocatalytic activity of Ta2O5 photocatalysts decorated on SiO2 nanoparticles. R. Chandrasekharan, N. Ndiege, B. Bambgoye, W. N. Harris III, J. Lucido, A. Radadia, M. A. Shannon, R. I. Masel 9:35 171. Novel ammonium/ammonia removal techniques. G. L. Pepping, M. A. Anderson, T. P. Barry 9:55 172. Effect of adsorbed polyelectrolyte and humic acid on TCE dechlorination by Fe0/Fe-oxide nanoparticles. G. V. Lowry, T. Phenrat, Y. Liu, H-J. Kim, R. D. Tilton 10:15 Intermission. 10:30 173. Molecular-level simulation of aqueous NDMA reduction at metal surfaces. W. F. Schneider, V. A. Ranea 10:50 174. Characterization of colloid-derived Pd-Cu/Al2O3 catalysts for nitrate reduction. K. A. Guy, J. R. Shapley, C. J. Werth, Z. Liu, J. C. Yang, Q. Wang, A. I. Frenkel 11:10 175. Effect of solution conditions on the product distribution of catalytic nitrate reduction using Pd-In catalysts in a continuous-flow packed-bed reactor. B. P. Chaplin, J. R. Shapley, C. J. Werth 11:30 176. Sustainability of nickel-boron catalysts for aqueous phase treatment of N-nitrosamines. A. J. Frierdich, C. E. Joseph, T. J. Strathmann

11:50 177. Ligand effects on the catalytic reduction of perchlorate with supported Re(V) complexes. K. D. Hurley, J. R. Shapley

WEDNESDAY AFTERNOON Section A Morial Convention Center Rm. 235 Sensors for Detection and Quantification of Contaminants in Drinking Water and the Environment Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), ANYL, and ENGENV

E. Morgenroth and P. W. Bohn, Organizers D. T. Chiu, Presiding 1:30 Introductory Remarks. 1:35 178. Detecting pathogens in water by electrochemical immunoassay. W. R. Heineman, A. Jurkevica, H. B. Halsall, C. J. Seliskar 2:15 179. Microfabrication techniques for the development of a miniaturized Hg-free ASV sensor for drinking water. L. Sztaberek, M. D. Martin, R. P. Baldwin, T. Roussel Jr., R. Keynton, N. John, K. Walsh 2:35 180. Temperature independent lead sensing based on a fluorescent DNAzyme sensor. N. Nagraj, J. Liu, J. Wu, Y. Lu 2:55 181. Synthetic glycoconjugates for the precise detection of toxins and pathogens. S. S. Iyer, R. R. Kale, D. M. Hatch, C. McGannon, C. Fuller-Schaefer, A. Jurkeva, M. J. Flagler, H. B. Halsall, W. R. Heineman, A. A. Weiss 3:15 Intermission. 3:30 182. Hierarchical oligonucleotide primer extension (HOPE) for quantitative and qualitative analyses of biotic contaminants. P-Y. Hong, W-T. Liu 3:50 183. DNAzyme-based biosensors for colorimetric sensing of trace contaminants in the environment. Y. Lu, G. Lu, D. Mazumdar, J. H. Lee, Z. Wang, J. Liu 4:10 184. Effect of electrolyte properties on charge transfer at a monolayer modified electrode. C. Gupta, M. A. Shannon, P. J. A. Kenis 4:30 185. Pb2+ detection in hybrid nano/ microfluidic device utilizing DNAzymes immobilized on gold-coated nanocapillary array membrane. A. Piruska, Y. Lu, P. W. Bohn 4:50 186. Simultaneous ultrasensitive detection of heavy metals using chelate-functionalized carbon nanotube-modified electrodes. J. Morton, A. K. Wanekaya

Section B Morial Convention Center Rm. 236 Understanding the Water Footprint of Energy Production from Conventional and Alternative Sources Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, M. Hightower, J. McMahon, and M. A. Shannon, Organizers R. Sustich, Organizer, Presiding 1:30 Introductory Remarks. 1:35 187. Water implications of biofuels production in the United States. J. L. Schnoor 2:15 188. Solar-powered hydrogen production via water splitting with simultaneous water treatment. H. Park, C. D. Vecitis, M. R. Hoffmann 2:35 189. Future water challenges of a hydrogen economy. R. White, S. Yeh, N. Goldstein 2:55 190. Carbon and energy footprint of water reclamation and waterway management in greater Chicago. C. A. O’Connor 3:15 Intermission. 3:30 191. Estimating freshwater needs to meet future thermoelectric generation requirements: A DOE/NETL assessment. T. J. Feeley III, E. Shuster, J. Murphy

3:50 192. Water consumption in an IGCC plant for cogeneration of hydrogen and power. S. A. Dastgheib, Y. Lu, M. Rostam-Abadi, M. A. Shannon 4:10 193. Feasibility of using secondarytreated municipal wastewater as cooling water in energy generation. S-H. Chien, M-K. Hsieh, D. A. Dzombak, R. Vidic 4:30 194. Water use reduction opportunities in ethanol production. T. C. Lindsey

Section C Morial Convention Center Rm. 237 Advances in Abiotic Transformation Processes for Micropollutants in Drinking Water and for Sourcewater Protection Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

C. J. Werth, E. Morgenroth, N. M. Assaf-Anid, J. A. Bergendahl, M. E. Ternes, R. W. Pike, R. W. Peters, and T. K. Das, Organizers T. J. Strathmann, Organizer, Presiding 1:30 Introductory Remarks. 1:35 195. Reductive defluorination of perfluorinated chemicals by aqueous electron. H. Park, C. D. Vecitis, J. Cheng, B. Mader, M. R. Hoffmann 1:55 196. Reductive dechlorination of carbon tetrachloride in iron- and sulfate-reducing microcosms. H. Shao, E. C. Butler 2:15 197. Reductive dehalogenation of trichloroethylene using aerosol-assisted Fe/Silica particles. J. Zhan, T. Zheng, G. Piringer, C. Day, J. He, G. L. McPherson, Y. Lu, V. T. John 2:35 198. Abiotic reduction of organic contaminants by iron(II)-siderophore complexes. D. Kim, T. J. Strathmann, O. Duckworth 2:55 199. Effects of methyl orange on nitrate reduction by a Pd-In/␥-Al2O3 catalyst. D. Shuai, S. Wojnar, B. P. Chaplin, J. R. Shapley, C. J. Werth

WEDNESDAY EVENING Section A Morial Convention Center Hall A General Papers

G. Coimbatore, Organizer 6:00–8:00 200. Biomedical imaging gold nanoparticles: Transformation in surface water conditions. V. Pallem, H. Stretz, M. J. M. Wells 201. Experimental study on pretreatment of Yellow River micropolluted raw water quality by subsurface constructed wetlands. X. Yang, S. Yu, X. Xu, Y. Zhao, X. Yan, H. Zhang 202. Research of polysilicate-ferric(PSF) for treating low temperature and low turbidity raw water. X. Xu, S. Yu, Z. Jiang 203. Study on MTBE degradation by Methylibium petroleiphilum. J. Zhang, D. Chen, Z. Cheng, X. Chen, J. Chen 204. Acid rain at City of Gangneung in South Korea. J. Y. Lee, M. Han, J. Choi, J-S. Yang 205. Adsorption of 2,4,6-trinitrotoluene from aqueous solutions using untreated and pyrolized tire rubber. N. Granda-Paz, S. P. Hernandez, L. Granda-Marulanda, A. Torres-Fontan, I. Otero 206. Adsorption of heavy metal using treatment agents for acid mine drainage. J. Choi, J-S. Yang, J-Y. Lee, J. Ham 207. Analysis and evaluation of environment benefit for biomass-fired power generation. J. Lu 208. Atmospheric gas phase hydrogen peroxide determination using acridinium ester chemiluminescence. D. W. O’Sullivan, H. Shen, J. A. Snow, A. Higbie, B. G. Heikes


ENVR 209. Bicarbonate utilization by freshwater microalgae Microcystis aeruginosa and Scenedesmus quadricauda. Y. Zhong, L. Sun, Y-Y. Zhuang 210. Catalytic ozonation of Songhua River water by nano-TiO2/zeolite. S. Wang, J. Ma, Y. Yang, J. Zhang, T. Liang 211. Characterization of nonaqueous phase liquid blob volume and morphology in soil columns using a medical X-ray CT scanner. S. Ghoshal, S. Kashef-Haghighi 212. Chelate-functionalized polymer nanoparticles for the efficient and selective removal of heavy metals from water. S. Tolani, A. K. Wanekaya 213. Development, validation and application of LCMS/MS method for simultaneous detection of hydroxyl metabolites of polycyclic aromatic hydrocarbon in urine of exposed subjects. F. O. Onyemauwa, S. Waidyanatha, J. Sobus, S. M. Rappaport 214. Disruption of the MazEF protein complex: A novel antibacterial target. N. R. Wang, P. J. Hergenrother 215. Distribution and dynamics of nitratenitrogen as influenced by long-term nitrogen fertilizer application and irrigation method in an Alfisol cropped to cotton. J. S. McConnell, K. M. Riha, C. J. Altfillisch, S. L. Bilderback, M. T. Brink, L. A. Maness, S. M. Stenger 216. Withdrawn. 217. Effect of pH on Fenton and Fenton-like reactions. Y-H. Kim, S-O. Ko, W. S. Shin, S. J. Choi, Y. S. Jung, H. S. Oh, J-Y. Park 218. Effect of soil sorption and aquatic natural organic matter on the antibacterial activity of a fullerene water suspension. D. Li, D. Y. Lyon, Q. Li, P. J. Alvarez 219. Effects of solid retention time on performance and sludge characteristics in EBPR. N. Li, N. Ren, X. Wang 220. Extraction and analysis of C60, C70, and PCBM in aqueous suspensions. D. Bouchard, X. Ma 221. Formation kinetics of aqueous suspensions of fullerenes. X. Ma, D. Bouchard 222. Formation and persistence of cadmium sulfide nanoparticles in aqueous solutions under various conditions: Limiting particle growth and aggregation with thiols. K. M. Mullaugh, J. M. Spraggins II, D. P. Ridge, G. W. Luther III 223. Henry’s Law constant determination of volatile organic compounds (VOC) in cyclodextrin solutions using the static head-space method. H. Gao, W. J. Blanford 224. Influence of sediment geochemistry on internal phosphorus loading in four Wisconsin lakes. A. R. Hoffman, D. E. Armstrong, R. C. Lathrop 225. Inhibition of five nanomaterials on coliphage growth. F-M. Li, N-N. Zhang, Z-Y. Wang, S-H. Qin, B. Xing 226. Inhibition of the lytic function of human natural killer cells by the brominated flame retardants, hexabromocyclododecane and tetrabromobisphenol A. K. Stephen, M. M. Whalen 227. Investigation of quinones as biomarkers for exposure to air pollution. D. Lim, A. Ikeda, T. Tyner, A. S. Hasson 228. Kinetic analysis of MTBE-biodegradation by immobilized cells. Z. Cheng, J. Chen, D. Chen, X. Chen, J. Zhang 229. Kinetic studies for the adsorption of heavy metals on sawdust particles. S-O. Ko, Y. H. Kim, L. Kim 230. LC/MS/MS structure elucidation of reaction intermediates formed during the photocatalytic degradation of microcystin-LR. M. G. Antoniou, J. A. Shoemaker, A. A. de la Cruz, D. D. Dionysiou 231. Levels, trends and sources of polybrominated diphenyl ethers in Hudson River basin sediments. L. A. Benedict, R. F. Bopp, D. A. Chaky, S. N. Chillrud 232. Micrototal analysis system for monitoring waterborne pathogen. C. K. Yong, I. K. Lao, R. Murthy, H. M. Ji, C. Y. Teo, C. Lay, H. H. Feng, W. T. Liu 233. Nanoscale palladium doping on magnesium particles for PCB dechlorination: Evaluation of critical parameters in bimetallic synthesis. S. Agarwal, S. R. Al-Abed, D. D. Dionysiou

234. New hybrid organic/inorganic sorbents for immobilization of heavy metals in sludges. A. N. Vasiliev, L. V. Golovko, V. A. Povazhny, V. V. Trachevsky, J. G. Khinast 235. Oxidation kinetics of sulfite catalyzed by ferrous ions. W. Lidong 236. Photolytic degradation pathways of flumetsulam, nicosulfuron and imazethapyr. A. Nienow, E. Pelton, M. Richards 237. Preparation of copper-impregnated nitrogen-doped nanostructured TiO2 and its applications to photocatalytic disinfection. O. Katembo Kinda, E. A. Mintz, S. Mehrabi 238. Probing dissolved organic matter’s mechanisms of photodegradation. D. Kreller, B. Anderson 239. Reactive Fe/Pd bimetallic systemsimpregnated adsorptive activated carbon for the environmental risk management of contaminated sites. H. Choi, S. Agarwal, D. D. Dionysiou, S. R. Al-Abed 240. Removal of microcystin-LR by ultraviolet radiation and hydrogen peroxide oxidation. H. Li, X-C. Jin, R-P. Qiao 241. Removal of uranium from groundwater using different types of synthetic and natural hydroxyapatite material. S. R. Kanel, M. O. Barnett, T. P. Clement 242. Soluble Fe and Mn flux at the sedimentwater interface during hypolimnetic oxygenation of a stratified water supply reservoir. H. Hsu-Kim, N. Polishchuk, L. Bryant, J. C. Little 243. Structural identification of adducts from interactions of guanosine with agrochemicals. T. C. Andrade, D. W. Boerth, C. L. Schifone 244. Synergetic reaction pathways of fluoroquinolone antibiotics and metals: Roles of metal-fluoroquinolone complexes and clay mineral surfaces. A. L. Danberry, H. J. Wingen, T. P. Vorlicek 245. Synthesis, characterization and photoactivity studies of nitrogen-doped Ta2O5 decorated onto SiO2 nanoparticles. B. Bamgboye, J. Lucido, R. Chandrasekharan, N. Ndiege, E. Moscoso, L. Threatt, M. A. Shannon, R. I. Masel 246. Transformation of triclosan and triclocarban in soils and biosolids-applied soils. J-W. Kwon, K. Xia, K. L. Armbrust 247. Visible light-mediated titania alumina composites: Synthesis and photocatalytic disinfection properties under visible light and UV irradiation. L. Liao, E. A. Mintz, S. Mehrabi 248. Wastewater treatment with titanium dioxide photocatalysts. T. Zeng, N. A. Robert, L. P. Van Hoose, Y-F. Li, A. Ernest, R-F. Xu, H. Ma

Section B

Section C Morial Convention Center Hall A Advances in Adsorption Processes for Drinking Water Treatment and Sourcewater Protection Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, T. H. Nguyen, and D. R. U. Knappe, Organizers R. A. Hathaway, Presiding 6:00–8:00 256. Chromium biosorption by Erythrina variegata orientalis leaf powder. P. Venkateswarlu, N. Chitti Babu, G. V. S. Aditya

Section D Morial Convention Center Hall A Membrane Technology for Water Treatment and Reuse Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, D. G. Cahill, S. W. Hermanowicz, J. G. Georgiadis, N. M. Assaf-Anid, J. A. Bergendahl, M. E. Ternes, R. W. Pike, R. W. Peters, and T. K. Das, Organizers R. A. Hathaway, Presiding 6:00–8:00 257. Using of modified tube membranes in the integrated reactor for degradation of persistent organic pollutants in water. V. Covaliov 258. Are microbial flocs in membrane bioreactors more sensitive to nitrification inhibition compared to flocs in conventional activated sludge systems? N. J. Wiehardt, A. L. Menniti, E. Morgenroth 259. Solvent resistant polyacrylonitrile membranes. J. Wang, Z. Yue, J. Economy

Section E Morial Convention Center Hall A Advances in Drinking Water Disinfection and Disinfection Byproduct Management Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), ENGENV

E. Morgenroth, B. J. Mariñas, D. Lantagne, L. Moeti, and E. A. Mintz, Organizers


R. A. Hathaway, Presiding

Environmental Behavior and Fate of Manufactured Nanomaterials Cosponsored by ENGENV

6:00–8:00 260. Comparative mammalian cell chronic cytotoxicity of cyanogen halide drinking water disinfection byproducts. J. Wallace, J. Pals, E. D. Wagner, B. J. Mariñas, M. J. Plewa 261. Induction of genomic DNA damage in mammalian cells by cyanogen halide drinking water disinfection byproducts. J. Pals, J. Wallace, E. D. Wagner, B. J. Mariñas, M. J. Plewa 262. Characterization of THMs precursors by fractionation of natural organic matter and UV absorption. K. Punburananon, T. F. Marhaba, A. D. Borgaonkar 263. Principal component analysis model for predicting organic character of water using spectral fluorescent signature. A. D. Borgaonkar, T. F. Marhaba, K. Punburananon 264. Measurement of diffusion coefficients for bacteriophage MS2 in solutions and at solid-liquid interface: A fluorescence correlation spectroscopy study. Y. Yu, M. Jiang, T. H. Nguyen, S. Granick 265. Effect of corrosion scales on ClO2 decay in drinking water. Z. Zhang, J. Stout, R. Vidic 266. Improving point-of-use disinfection methods for use in developing regions. T. Vonder Haar, A. L. Poole, D. I. Al-Qadi, K. M. Flanagan, B. J. Finnegan, S. Y. Kimura, J. Minier-Matar, J. Luh, J. L. Shisler, B. J. Mariñas, M. A. Page

B. Xing, Organizer J. A. Pedersen, Organizer, Presiding 6:00–8:00 249. Production of reactive oxygen species from zero-valent iron nanomaterials. Q. Sun, S. E. Mylon, T. D. Waite 250. Tannic acid stabilizes carbon nanotubes in water. N. Liu, D. Lin, B. Xing 251. Interaction of polymerin with aluminum oxide nanoparticles for potential water remediation. M. Iorio, B. Pan, R. Capasso, B. Xing 252. Transmembrane delivery of aggregated [Gd@C82(OH)22]n nanoparticles. G. Xing, H. Meng, C. Zhen, H. Yuan, L. Jing, Y. Zhao 253. Gd@C82(OH)n nanoparticles are noncytotoxic and can induce cellular immunity. Y. Liu, Y. Qiu, W. Li, F. Lao, C. Chen, Y. Zhao 254. Iron oxide nanoparticles induced dysfunction and cytotoxicity in human endothelial cells. M-T. Zhu, W. Feng 255. In vitro assay for assessing the gastrointestinal biodurability of engineered nanomaterials. P. N. Wiecinski, K. M. Metz, R. J. Hamers, J. A. Pedersen

267. Comparative study of the kinetics of MS2 bacteriophage and Coxsackievirus B5 inactivation with monochloramine. B. J. Finnegan, J. L. Shisler, B. J. Mariñas 268. Inactivation of bacteriophage MS2 by potassium ferrate(VI). L. Hu, M. A. Page, B. J. Mariñas, T. J. Strathmann 269. Iron(III) chloride mediates inter-Qbeta bacteriophage interactions. N. W. Schmidt, S. Barr, E. Luijten, G. C. L. Wong 270. Design of viricidal, metal oxide nanoparticles coated on a glass fiber substrate. X. Li, L. A. Gutierrez, G. N. Nangmenyi, T. H. Nguyen, J. Economy 271. Study of sorption and inactivation of ms2 phage and rotavirus using iron oxidecoated glass fiber. L. A. Gutierrez, X. Li, J. Wang, G. N. Nangmenyi, J. Economy, T. B. Kuhlenschmidt, M. S. Kuhlenschmidt, T. H. Nguyen 272. DNA damage and repair kinetics in mammalian cells by reactants, intermediates and products associated with the reaction of combined chlorine and formaldehyde in drinking water. Y. Kumada, S. Y. Kimura, B. J. Mariñas, E. D. Wagner, M. J. Plewa 273. Fast detection and formation of polariodinated disinfection byproducts in drinking water. G. Ding, X. Zhang 274. On-line membrane extraction for realtime monitoring of haloacetic acids. D. Kou, X. Wang, S. Mitra 275. Competitive formation of ClCN and BrCN in drinking water. S. Y. Kimura, Y. Kumada, B. J. Mariñas, M. J. Plewa 276. Free-radical-based destruction of nitrosamines in waters. S. P. Mezyk, N. A. Landsman, C. R. Cox, K. L. Swancutt, E. Abud, J. J. Kiddle 277. Formation, detection and removal of n-nitrosodimethylamine in drinking water treatment process. A. Li, Z. Chen, L. Yang, B. Xu, S. Yin 278. Simultaneous removal of DBPs and odorants by UV/H2O2 process. C-H. Jo, A. M. Dietrich, J. M. Tanko 279. Disinfection by-products in swimming pool water: Precursors and chemical reactions of NCl3 formation. C. Zwiener, C. Schmalz, F. H. Frimmel 280. Efficient natural organic matter removal using ammonia activated carbon fibers. G. N. Nangmenyi, Z. Yue, J. Economy 281. Effect of the pH, inorganic ions and the wavelength on photocatalytic antiviral and antibacterial activities of TiO2 toward elucidation of the chemistry of the action. S. Mehrabi, C. Barrett, C. Thomas, J. Watson, B. Gray, E. A. Mintz

Section F Morial Convention Center Hall A Advances in Abiotic Transformation Processes for Micropollutants in Drinking Water and for Sourcewater Protection Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), and ENGENV

E. Morgenroth, T. J. Strathmann, C. J. Werth, N. M. Assaf-Anid, J. A. Bergendahl, M. E. Ternes, R. W. Pike, R. W. Peters, and T. K. Das, Organizers R. A. Hathaway, Presiding 6:00–8:00 282. Electrical discharge plasma reactors for water cleaning. B. R. Locke 283. Withdrawn.


TECH–59

TECHNICAL PROGRAM

ENVR/FLUO/FUEL 284. Degradation of polyacrylamide aqueous solution by heterogeneous photo-Fenton reaction. H. You, T. Liu 285. Degradation of polyacrylamide aqueous solution by UV/H2O2/O3 process. T. Liu, H. You, H. Luo, M. Wang 286. Degradation of trace nitrobenzene by ozone with TiO2/zeolite. J. Zhang, J. Ma, Y. Yang, S. Wang, L. Chen 287. Effects of natural water constituents on perchlorate reduction by a heterogeneous Pd/Re catalyst. J. K. Choe, L. Koscielski, C. J. Werth, T. J. Strathmann, J. R. Shapley 288. Reduction of azide in water with dihydrogen over heterogeneous Pd-Cu/Al2O3 catalysts. M. F. Fanizza, K. A. Guy, C. J. Werth, J. R. Shapley 289. Decolorization processes for wastewater containing nitro-group compounds. F-F. Zhang, J. Zhang, W-H. Chen, M-H. Cao

2:30 Break. 2:45 Introduction to United States strategic water initiative. M. A. Shannon 3:30 United States strategic water initiative support statement signing by all participants. 4:00 Adjourn.

MONDAY EVENING

Polymers for Remediation and the Environment Sponsored by POLY, Cosponsored by American Chemistry Council, ENVR, and ENGENV

Sci-Mix

Polymers for Remediation and the Environment Sponsored by POLY, Cosponsored by American Chemistry Council, ENVR, and ENGENV

FLUO


V. A. Petrov, Program Chair

6:00–8:00 290. Molecular association of benzene with a new cyclophane receptor. T. Buthelezi, C. Davies General Geochemistry and Clay Minerals Society Poster Session Sponsored by GEOC, Cosponsored by The Clay Minerals Society and ENVR

THURSDAY MORNING Congress for United States Strategic Water Initiative

R. Sustich, Organizer 8:30 Congress Wecome, M. Shannon, Center of Advanced Materials for Purification of Water with Systems. 8:45 The Grand Challenges Facing America’s Water Industry. K. Kirk 9:25 SWOT Analysis of the Water Purification Science and Technology Research Agenda. R. Sustich 9:35 SWOT Session 1: Developing New Water Supplies Contaminant Detection and Reduction Disinfection for Drinking Water Supplies and Reuse Integrating Purification S&T into Water Management and Sourcewater Protection Optimizing Scale-Up, Commercialization and Technology Diffusion. 10:30 Network Break. 10:45 SWOT Session 2: Developing New Water Supplies Contaminant Detection and Reduction Disinfection for Drinking Water Supplies and Reuse Integrating Purification S&T into Water Management and Sourcewater Protection Optimizing Scale-Up, Commercialization and Technology Diffusion. 12:15 Intermission. 1:15 Report Out – Developing New Water Supplies. 1:30 Report Out – Contaminant Detection and Reduction. 1:45 Report Out – Disinfection for Drinking Water Supplies and Reuse. 2:00 Report Out – Integrating Purification S&T into Water Management and Sourcewater Protection. 2:15 Report Out – Optimizing Scale-Up, Commercialization and Technology Diffusion.

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 336 ACS Award for Creative Work in Fluorine Chemistry: Symposium in Honor of Dennis P. Curran Cosponsored by ORGN

S. G. K. Prakash, Organizer V. A. Petrov, Organizer, Presiding 1:30 1. Diverse chemistry of octafluoro[2.2]paracyclophane. W. Dolbier Jr. 2:00 2. Exploiting phase change in organofluorine chemistry. S. G. DiMagno 2:30 3. Medicinal chemistry and chemical biology of fluoro-taxoid anticancer agents. I. Ojima 3:00 4. Novel nucleophilic and electrophilic fluoroalkylation methods. S. G. K. Prakash 3:30 Intermission. 3:50 5. Optical purification of fluorine-containing compounds via enantiomer self-disproportionation. V. Soloshonok 4:20 6. Synthesis of oligosaccharide and peptide using heavy fluorous tag. M. Mizuno

MONDAY MORNING Section A Morial Convention Center Rm. 217 ACS Award for Creative Work in Fluorine Chemistry: Symposium in Honor of Dennis P. Curran Cosponsored by ORGN

V. A. Petrov, Organizer G. K. S. Prakash, Organizer, Presiding 8:30 7. Add some fluorine and increase the power of organic synthesis. P. V. Ramachandran 9:00 8. Generation of polyfluorinated longlived carbocations in HFC solvents. V. A. Petrov 9:30 Intermission. 10:00 9. Fluorocarbon microenvironments and phases for catalyst activation and recovery. J. A. Gladysz 10:30 10. Fluorous-based tools for glycomics. N. L. Pohl 11:00 11. Award Address (ACS Award for Creative Work in Fluorine Chemistry, sponsored by SynQuest Laboratories Inc. and Honeywell). Fluorous Chemistry in Pittsburgh: 1994-2008. D. Curran

MONDAY AFTERNOON


60–TECH

S. G. Prakash, Organizer V. A. Petrov, Organizer, Presiding

Division of Fluorine Chemistry

E. Morgenroth and P. W. Bohn, Organizers


THURSDAY AFTERNOON

Section G

Sensors for Detection and Quantification of Contaminants in Drinking Water and the Environment Cosponsored by WaterCAMPWS, AIChE Environmental Division (Group 9), ANYL, and ENGENV

Section A

Fluorine in Drug Design Sponsored by MEDI, Cosponsored by FLUO, Financially supported by Air Products

8:00–10:00 12. Withdrawn. 13. Dynamic effects of fluoro substitution in the photochemistry of caged compounds: Consequences for the photo-Favorskii rearrangement. K. F. Stensrud, R. S. Givens 14. Calculated 13C NMR spectra of fluorochemicals. R. A. Newmark 15. Chemistry of -OSF5 compounds. M. Khural, A. Waterfeld, J. S. Thrasher 16. Toward fluorinated molecular tweezers with “extended” pincer units. M. Etzkorn, C. M. Kane 17. Hydroalkoxylation of hexafluoropropylene using fluoroalcohol for the preparation of Hydrofluoroether. H. Lee, D. Natalia, H. S. Kim, S. D. Lee, H. Kim 18. Synthesis and characterization of some fluorine-containing complexes of platinum(II): Use of 19F NMR in studying DNA interactions. R. Johnson, S. Kapuria, D. G. VanDerveer, W. L. Jarrett Jr., A. A. Holder 19. Synthesis and characterization of some fluorine-containing complexes of ruthenium(II): Use of 19F NMR in studying DNA interactions. M. Davis, L. Seymour, V. H. Rambaran, W. Ward, E. Clark, L. Moody, D. G. VanDerveer, S. Parajuli, W. L. Jarrett Jr., W. Miao, A. A. Holder

FUEL Division of Fuel Chemistry M. M. Maroto-Valer, Program Chair

SOCIAL EVENTS: Dinner: Tue Social Hour: Tue

BUSINESS MEETINGS: Business Meeting: Tue Executive Committee Meeting: Sun Program Committee Meeting: Sun

SUNDAY MORNING Section A Morial Convention Center Rm. 242 Green Chemistry for Sustainable Energy Supply and Conversion Green Reagents and Processes Cosponsored by I&EC, PETR, and ENGENV

B. Jang and C-J. Liu, Organizers G. J. Hutchings and R. Glaeser, Presiding 8:25 Introductory Remarks.


8:30 1. Engineered structures as catalysts for environmentally friendly reactions. H. H. Kung 9:05 2. Development of a high power density glycerol bioanode capable of complete oxidation via a 3 enzyme cascade. R. L. Arechederra, S. D. Minteer 9:25 3. Cyclometalated iridium complexes as efficient and tunable catalysts for the oxidation of water. N. D. McDaniel, F. J. Coughlin, L. Tinker, S. Bernhard 9:45 4. Novel technology for 1,3-propanediol fermentation with the crude glycerol from biodiesel production by-product by Klebsiella pneumoniae. H. Liu, J. Zhang, W. Du, D. Liu 10:05 Intermission. 10:15 5. Novel solvents for sustainable chemical processes. C. A. Eckert, C. L. Liotta 10:50 6. Removal of carbon dioxide and sulfur dioxide by absorption into aqueous AMP/ammonia solutions. W-J. Choi, S-S. Lee, J-B. Seo, K-J. Oh 11:10 7. Comparison study on nanocrystalline alkali and alkali-earth based materials as high-temperature CO2 acceptors. T. Zhao, E. Ochoa-Fernández, M. Rønning, D. Chen 11:30 8. Pulsed high-voltage electrical discharge plasma process with AC-supported TiO2 catalyst to promote toxic pollutant removal. X. Hao, L. Lei, G. Du, J. Chen 11:50 9. SO2 and NO Simultaneous removal from flue gas based on TiO2 photocatalytic oxidation. Z. Yi

Section B Morial Convention Center Rm. 240/241 Mercury and Other Trace Elements in Fuel: Emissions and Control Status of Control Technologies Cosponsored by ENGENV

Y. Zhang, E. J. Granite, and R. Vidic, Organizers 8:25 Introductory Remarks. 8:30 10. Controlling mercury emissions from power plants: Status, issues, and R&D needs. R. Chang 9:00 11. Full-scale mercury control trails using B-PAC™ mercury sorbent. S. Nelson Jr., R. R. Landreth, Y. Zhang, Q. Zhou, Z. Tang, X. Lu 9:20 12. Update on Concrete-Friendly™ mercury sorbent. Y. Zhang, S. Nelson Jr., Q. Zhou 9:40 13. Experimental study on mercury capture in coal-derived flue gases using treated activated carbons. E. S. Olson, Y. Zhuang, M. J. Holmes, J. H. Pavlish 10:00 Intermission. 10:15 14. Comparative studies of mercury capture by Bulgarian and Kentucky fly ash carbons. J. C. Hower, I. J. Kostova 10:35 15. Mercury capture from coal combustion flue gas by fly ash: Impact of coal and boiler type. M. Rostam-Abadi, Y. Lu, R. Chang, C. Richardson, J. Paradis 10:55 16. Treatment of high carbon fly ash for concrete applications. C. J. Boxley, B. Proctor, V. Siegel 11:15 17. Development of a fieldable realtime mercuric chloride monitor using laser photofragment emission. T. A. Reichardt, J. M. Headrick, A. A. Hoops, J. A. Kelley, J. P. Koplow, S. W. Moore, D. A. V. Kliner

Section C Morial Convention Center Rm. 239 Coal and Gas to Liquids Coal and Biomass Conversion Cosponsored by AIChE Gas Utilization Topical (Group 16), CATL, and ENGENV

S. Chattopadhyay, J. J. Spivey, S. S. C. Chuang, and B. Demirel, Organizers 8:55 Introductory Remarks. 9:00 18. Secure, environmentally acceptable fuels from coal. A. V. Cugini, B. D. Morreale, R. P. Noceti

FUEL 9:40 19. Synthesis of C2 oxygenates from biomass-derived syngas on Rh/TiO2: Effects of promoters. A. A. Egbebi, J. J. Spivey 10:00 20. Catalytic coal gasification. F. Guzman 10:20 Intermission. 10:35 21. Distributed-scale production of Fischer–Tropsch liquids from biomass and waste-containing plastics. N. Patel, S. Chattopadhyay 10:55 22. Thermocracking of coal sludge to produce gasification fuel and synthetic crude. O. A. Olajide, E. B. Kennel, R. A. Wolfe 11:15 23. Extraction of Shendong coal with different solvent in sub- and supercritical state. H. Hu, B. Wu, L. Jin, Y. Zhao, X. Li Engineering the Transition to the Bioeconomy Information Resources Sponsored by CINF, Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), FUEL, and ENGENV George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Sponsored by PETR, Cosponsored by COLL, CATL, and FUEL Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 242 Green Chemistry for Sustainable Energy Supply and Conversion Green Processing & Clean Fuels Cosponsored by I&EC, PETR, and ENGENV

B. Jang, R. Glaeser, and C-J. Liu, Organizers C. H. Christensen and R. A. Periana, Presiding 1:45 24. 21st Century green technology through cooler chemistry: Breakthroughs in activating methane. R. A. Periana 2:20 25. Conversion of pure methane to hydrogen and acetylene in atmosphericpressure nonthermal plasma with a rotated electrode. A-M. Zhu 2:40 26. Stability of molybdenum dioxide as catalyst for isooctane steam reforming. O. Marin Flores, S. Ha 3:00 27. Plasma-enhanced preparation of nickel-based catalyst for carbon dioxide reforming of methane. F. Guo, W. Chu, J. Xu, L. Zhong 3:20 28. New atomic-scale insights into cluster-size, promoter and support effects of MoS2-based hydrotreating model catalysts. F. Besenbacher 3:55 Intermission. 4:05 29. Hydrodesulfurization for cleaner air: HDS of dibenzothiophene and its hydrogenated intermediates over sulfided Mo/gAl2O3. R. Prins, H. Wang 4:40 30. Profitable recovery of methane from biogas using nonthermal discharge/catalyst hybrid reactor. T. Nozaki, W. Fukui, H. Tsukijihara, K. Okazaki 5:00 31. Highly efficient deep desulfurization of fuels by chemical oxidation. M. C. Capel-Sanchez, J. M. Campos-Martin, J. L. G. Fierro 5:20 32. Ultrasonic activation of formic acid and activated carbon for fuel desulfurization. M. T. Timko, M. Mock, R. P. Ciccolini, J. W. Tester


Section B

Section D



Mercury and Other Trace Elements in Fuel: Emissions and Control Novel Sorbents Cosponsored by ENGENV

Computational Methods and Molecular Modeling in Fuel Chemistry Cosponsored by ENGENV

Y. Zhang, E. J. Granite, and R. Vidic, Organizers

A. Cugini, D. T. Daly, M. S. J. Gutowski, D. A. Dixon, and C. V. Naik, Organizers

1:25 Introductory Remarks. 1:30 33. Developing mercury control technology for coal-fired power plants: From concept to commercial reality. T. J. Feeley III, A. P. Jones 2:00 34. Noble metal catalysts for oxidation of mercury in flue gas. A. A. Presto, E. J. Granite 2:20 35. High temperature mercury capture on PdAu alloys. J. Wilcox, E. Sasmaz 2:40 36. Quantum modeling of Hg adsorption on carbon surfaces in the presence of HCl, NO2 or SO2. H. Zhu, J. R. Flora, R. Vidic, E. Borguet 3:00 Intermission. 3:20 37. New adsorbents for direct warm-gas capture of mercury. O. Peise, L. Ji, S. W. Thiel, N. G. Pinto 3:40 38. Experimental study of element mercury oxidation by ␣-FE2O3 and ␥-FE2O3 nanoparticles. J. Qiu, F. Kong, Z. Ai, H. Liu, W. Xing, X. Song 4:00 39. Oxidation of elemental mercury using pulsed corona discharge. D. N. Shin, D. J. Koh, K. T. Kim, K. B. Ko, Y. Byun, M. H. Cho, W. Namkung, I. P. Hamilton 4:20 40. Experimental study of elemental mercury oxidation in CL2 contained simulated flue gases. H. Wu, J. Qiu, Q. Wang, H. Liu, F. Liu, H. Li 4:40 41. Nanoscale metal sulfides for mercury sorption. E. S. Peterson, P. J. Martellaro, G. A. Moore

1:15 Introductory Remarks. 1:20 49. Computational advances in predicting molecular properties for alternative energy solutions. D. A. Dixon, M. T. Nguyen, M. H. Matus, S. Li 2:00 50. Mechanistic modeling of lubricant degradation: The autoxidation of alkanes. L. J. Broadbelt, J. Pfaendtner 2:40 51. Combining cluster expansions and first principles calculations to screen ternary metal alloys for hydrogen purification. D. S. Sholl, L. Semidey-Flecha, C. Ling, S. Hao 3:20 Intermission. 3:35 52. Mercury-bromine oxidation kinetics. E. S. Peterson, T. Okano 4:15 53. Chemical activation and stabilized adduct reactions of n-pentyl with oxygen. J. W. Bozzelli, R. Asatryan, C. Montgomery 4:55 54. Computational studies on regeneration of boron-nitrogen compounds for hydrogen fuel cells. M. H. Matus, D. J. Grant, J. R. Switzer, B. L. Davis, F. H. Stephens, D. A. Dixon 5:15 Concluding Remarks.

Section C Morial Convention Center Rm. 239 Coal and Gas to Liquids Kinetics, Design and Numerical Modeling of FT Catalysts Cosponsored by AIChE Gas Utilization Topical (Group 16), CATL, and ENGENV

S. Chattopadhyay, J. J. Spivey, S. S. C. Chuang, and B. Demirel, Organizers 1:30 42. Fischer-Tropsch synthesis on cobalt: A combined macro-microkinetic study. C. H. Bartholomew, U. P. Paul, G. W. Huber 2:10 43. Reduced complexity in the representation of Fischer-Tropsch chemistry. K. T. Jarosch, B. Yang, S. P. Fitzgerald, R. Taha, T. Mazanec, A. L. Y. Tonkovich 2:30 44. Design and construction of a GTL pilot plant for production of ethanol and higher alcohols. A. J. Lucero, W. H. Tuminello, J. D. Offerman 2:50 Intermission. 3:10 45. Fischer-Tropsch fixed bed reactor model for Co catalysts. W. C. Hecker, K. M. Brunner, U. P. Paul, M. Svedin, J. Bell, D. Tree, C. H. Bartholomew 3:30 46. Process alternatives for Fischer Tropsch synthesis of CO2 rich syngas. S. M. Mahajani, R. K. Malik, S. S 3:50 47. Comparison of the kinetics of the Fischer-Tropsch synthesis reaction between structured alumina supported cobalt catalysts with different pore size. W. Ma, G. Jacobs, D. E. Sparks, R. L. Spicer, U. M. Graham, B. H. Davis 4:10 48. Carbon laydown during steam methane reforming start up conditions. E. H. Knight, V. Dupont, M. V. Twigg, A. Ross, G. L. Rickett

10:40 61. Bioethanol production in China. M. Zhang, X. Dong, H. Lu, C. Liu 11:15 62. Hydrogen production from bioderived liquids over cobalt-based catalysts. H. Song, L. Zhang, U. S. Ozkan 11:35 63. Isoparaffinic biofuels. R. Abhari 11:55 64. Effects of promoters over mesoporous PdCl2-CuCl2-/HMS catalysts for oxidative carbonylation of ethanol to diethyl carbonate. P. Zhang, Y. Yang, S. Chen, S. Huang, S. Wang, X. Ma

Section B Morial Convention Center Rm. 240/241 Computational Methods and Molecular Modeling in Fuel Chemistry Cosponsored by ENGENV

A. Cugini, D. T. Daly, M. S. J. Gutowski, D. A. Dixon, and C. V. Naik, Organizers


8:05 65. Application of computational science for fossil fuel conversion processes with carbon capture. M. Syamlal, A. Cugini 8:45 66. Quantum chemical studies of alane and phosphine derivatives for chemical hydrogen storage. M. T. Nguyen, M. H. Matus, D. J. Grant, S. V. Nguyen, S. Swinnen, D. A. Dixon 9:25 67. Oxidation of PRF-ethanol blends: Kinetic modeling at low and intermediate temperatures. F. M. Haas, M. Chaos, F. L. Dryer 10:05 68. Pulling it all together: Fuel chemistry modeling across the scales from individual molecules to engine simulations. S. Sharma, C. F. Goldsmith, T. Ogura, M. R. Harper, G. R. Magoon, H. Ismail, J. P. Angelos, W. H. Green Jr. 10:45 Intermission. 11:00 69. Attribute reaction model (ARM) approach for heavy hydrocarbon reaction modeling. Z. Hou, C. A. Bennett, M. T. Klein 11:20 70. Ab initio kinetics for decomposition/isomerization of C2H5O1 as well as reactions of C2H5O1 with H atoms. Z. F. Xu, K. Xu, M. Lin 11:40 71. Insights into the CH4 partial oxidation on Rh: A microkinetic perspective. M. Maestri, D. G. Vlachos, A. Beretta, G. Groppi, E. Tronconi 12:00 72. Adsorption of H2 and CO on small rhodium clusters: A DFT study. W. Torres, D. A. Bruce, J. G. Goodwin Jr.

MONDAY MORNING

Section C

Section A


2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production by Water Splitting Sponsored by PETR, Cosponsored by FUEL, CATL, and ENGENV George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Sponsored by PETR, Cosponsored by COLL, CATL, and FUEL

Morial Convention Center Rm. 242 Green Chemistry for Sustainable Energy Supply and Conversion Clean Fuels Cosponsored by I&EC, PETR, and ENGENV

B. Jang, R. Glaeser, and C-J. Liu, Organizers T. Nozaki and S. Dai, Presiding 8:15 55. Advanced liquid membranes based on novel ionic liquids for energy-related applications. S. Dai 8:50 56. Effective utilization of electrical discharges for hydrogen production. Y. Sekine, M. Matsukata, E. Kikuchi 9:10 57. Study on making hydrogen from catalytic pyrolysis of coal slime by linear temperature. L. Zhang, X. Shu, T. Jiang, Y. Dong 9:30 58. Synthesis and properties of fluorinecontaining polybenzimidazoles for high temperature polymer-electrolyte-membrane fuel cell applications. G. Qian, B. C. Benicewicz 9:50 59. Electrochemical impedance spectroscopy characterization of Pt-Ir catalyst supported on TiC. L. Ma, S. Sui, Y. Zhai 10:10 60. Novel nanogold catalysts for CO oxidation and water-gas shift. Z. Ma, H. Yin, S. H. Overbury, S. Dai 10:30 Intermission.

Coal and Gas to Liquids Novel FT Catalyst Development and Characterization Cosponsored by AIChE Gas Utilization Topical (Group 16), CATL, and ENGENV

S. Chattopadhyay, J. J. Spivey, S. S. C. Chuang, and B. Demirel, Organizers 8:25 Introductory Remarks. 8:30 73. Synthesis of higher oxygenates from syngas. J. J. Spivey 9:10 74. Manganese promotion of cobalt-onsilica catalysts for the Fischer-Tropsch synthesis. J. P. den Breejen, A. M. Frey, J. R. A. Sietsma, J. H. Bitter, K. P. de Jong 9:30 75. Application of a novel TPR EXAFS/ XANES method using a multisample holder to characterize promoted iron and cobalt Fischer-Tropsch synthesis catalysts. G. Jacobs, A. Sarkar, Y. Ji, B. H. Davis, D. C. Cronauer, A. J. Kropf, C. L. Marshall 9:50 76. Synthesis of Fischer-Tropsch diesel using iron oxide aerogels and xerogels containing potassium and cobalt. S. Bali, F. Huggins, G. P. Huffman, R. D. Ernst, R. J. Pugmire, E. M. Eyring 10:10 Intermission.

TECH–61

TECHNICAL PROGRAM

FUEL 10:30 77. 3-D Investigation of nanocrystalline ridges on ceria support surface of Pt/CeO2 catalysts for water-gas shift. R. A. Khatri, U. M. Graham, H. Evin, G. Jacobs, A. Dozier, B. H. Davis 10:50 78. Product distribution on an iron Fischer-Tropsch catalyst in a stirred tank slurry reactor. D. B. Bukur, T. Olewski, G. F. Froment 11:10 79. Preparartion of super active cobalt based hydrogenation catalysts. T. Xiao 11:30 80. Phase transformations of a spraydried iron catalyst for slurry FischerTropsch synthesis during activation and reaction. Q. Hao, L. Bai, H. Xiang, Y. Li 11:50 Discussion. 12:05 Concluding Remarks.

Section D Morial Convention Center Rm. 238 Mercury and Other Trace Elements in Fuel: Emissions and Control Mercury Chemistry and Other Elements Cosponsored by ENGENV

Y. Zhang, E. J. Granite, and R. Vidic, Organizers 8:30 Introductory Remarks. 8:35 81. The chemistry of mercury in combustion systems and air pollution control devices: A review. C. Senior 9:05 82. Imapct of fly ash compostion and flue gas components on mercury speciation. X. Chen, R. Bhardwaj, J. Monnell, J. R. Flora, E. Borguet, R. Vidic 9:25 83. Measurements and modeling of mercury and sulfur dioxide oxidation during selective catalytic reduction of nitric oxide. G. Tong, P. M. Walsh, G. A. Blankenship, T. K. Gale 9:45 84. Activated carbon-based catalysts for selective hydrogen sulfide oxidation. H. Li, J. D. Monnell, R. Vidic 10:05 Intermission. 10:25 85. Disposal of arsenic wastewater by polysilicate ferric aluminum sulfate. Q. Li Sr., M. Hu 10:45 86. Density functional theory study of adsorption and dissociation of contaminants on zinc orthotitanate. J. K. Johnson, R. B. Rankin, S. Hao, D. S. Sholl 11:05 87. Studies on fluoride and arsenic removal from power plant wastewater by polysilicate ferric aluminum sulfates. S. Wang, Y. Zhao, Q. Li 11:25 88. Partitioning of trace elements in a WtE boiler and the effects of different waste types. A. J. Pedersen, F. J. Frandsen

10:30 99011. Updating heavy oil and upgrading vacuum simulation and design considerations. D. Remesat


Section B Liquefied Natural Gas (LNG) Technology Sponsored by AIChE Gas Utilization Topical (Group 16), Cosponsored by FUEL‡

C-H. Chiu and M. M. Maroto-Valer, Organizers

2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production by Water Splitting Sponsored by PETR, Cosponsored by FUEL, CATL, and ENGENV Engineering the Transition to the Bioeconomy Policy and Economics Sponsored by CINF, Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), FUEL, and ENGENV George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Sponsored by PETR, Cosponsored by COLL, CATL, and FUEL Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

MONDAY AFTERNOON Section A

Heavy Oil Chemistry Sponsored by AIChE Fuels and Petrochemical Division (Group 16), Cosponsored by FUEL‡ and ENGENV


I. A. Wiehe, J. F. Schabron, P. Rahimi, J. Chen, and A. Khogeer, Organizers

Green Chemistry for Sustainable Energy Supply and Conversion Alternative Feedstocks Cosponsored by I&EC, PETR, and ENGENV

8:00 99007. Depicting and separating “prolinking” componds to enhance upgrading performance and heavy oils processing. P. R. Pereira Almao 9:00 99008. Heavy oil tutorial: Polynuclear aromatics, the barrier to conversion. I. A. Wiehe 9:30 99009. Ionization reagents for enhanced speciation of petroleum compound classes by Electrospray Ionization FT-ICR Mass Spectrometry (ESI FT-ICR MS). P. Juyal, R. P. Rodgers, A. G. Marshall 10:00 99010. Understanding asphaltenes conversion in fixed bed conditions. J. Marques, A. Baudot, I. Merdrignac, D. Guillaume, D. Espinat, S. Brunet


62–TECH

Morial Convention Center Rm. 240/241 Computational Methods and Molecular Modeling in Fuel Chemistry Cosponsored by ENGENV

1:05 108. Stable aminopolymer-silica hybrid material capable of capturing CO2 reversibly from simulated flue gas. J. C. Hicks, J. H. Drese, D. J. Fauth, M. L. Gray, C. W. Jones 1:30 109. Enhanced CO2 fixation into calcium carbonate superstructures via a carbonation crystallization pathway. B. Weijun, L. Huiquan, Z. Yi 1:55 110. The investigation on the carbonation of fly ash in oxy-fuel fired CFBC. Y. Li Sr. 2:20 111. Reversible CO2 adsorption by MgAl-complex oxide materials. X. Fu, D. Wu, J. Li, N. Zhao, W. Wei, Y. Sun

Section C 8:00 99017. Concept validation for a very large LNG train. H. C. Bauer, A. O. Fredheim, R. A. Heiersted, S. De Simone 8:20 99018. Comparison study on smallscale LNG plants in China. X. Yang, A. Gu, W. Lin, X. Lu 8:40 99019. Cost effective and practical NGL stripping processes. J. Cho, D. K. Hill, J. Capouch, L. Pieper 9:00 99020. An innovative control acheme of a C3/MR LNG plant. J. C. Bronfenbrenner, M. J. Okasinski, S. Trautmann 9:20 99021. Meeting growing energy demand with liquefied natural gas (LNG) in a carbon-constrained world. B. Oyenekan, S. Nordrum, C. Lowe, T. Frazier, S. Huang 9:40 99022. Comparison of present day peakshaving liquefaction technologies. N. C. Ballout, B. C. Price 10:00 99023. Floating LNG liquefaction facilities using the Optimized Cascade Process. M. A. Wilkes


4:20 94. The renewable chemical industry: Optimal use of biomass resources. C. H. Christensen 4:55 95. Withdrawn. 5:15 96. Effect of sulfur on CoMo/Al2O3 catalyst for the coal pyrolysis. Q. Hao, C. Wang, L. Bai

A. Cugini, D. T. Daly, M. S. J. Gutowski, D. A. Dixon, and C. V. Naik, Organizers 1:45 97. Kinetic analysis of molecular weight growth of olefin pyrolysis. A. Al Shoaibi, A. M. Dean 2:05 98. First-principles thermodynamics studies of Pd4S surfaces and their interaction with H2. D. R. Alfonso, J. B. Miller, B. D. Morreale 2:25 99. Theoretical study on the mechanism and kinetics of the reaction of C2 with H2. Z-R. Wang 2:45 100. Nature of excited states of carbonate-like species on (010) anatase TiO2: Preliminary symmetry-adapted clusterconfiguration interaction calculations. V. P. Indrakanti, J. D. Kubicki, A. V. Mitin, H. Schobert 3:05 101. Automatic generation of model-fuel mechanisms for use in engine combustion simulation. I. Lengyel, C. V. Naik, K. V. Puduppakkam, E. Meeks 3:25 102. Computational investigation of steam methane reforming thermochemistry and microkinetics over Ni(111) catalyst. D. W. Blaylock, G. J. O. Beran, W. H. Green Jr. 3:45 Intermission. 4:00 103. Determining model compounds for biofuel oxidation: Explorations of the oxidative decomposition of methyl esters. C. J. Hayes, D. R. Burgess Jr. 4:20 104. Enthalpies of formation for aromatic compounds from G3B3(MP2) calculations. D. R. Burgess Jr. 4:40 105. Fundamental understanding of CO2 and H2S sorption mechanism on molecular basket sorbent via computational chemistry approach. X. Ma, C. Song 5:00 106. On-the-fly reduction of detailed hydrocarbon oxidation mechanisms for combustion simulations. L. Liang, J. G. Stevens, J. T. Farrell 5:20 107. Study on adsorption of thiophene over TiO2 anatase (001) surfaces using DFT calculations. J. Guo, S. Watanabe, X. Ma, C. Song

Hybrid Nanotechnologies for an Enhanced CO2 Fixation CO2 Conversion into Products of the Chemical and Energy Industry: Homogeneous Catalysis Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16) and ENGENV

M. Aresta, R. Tabita, Z. Jiang, B. Demirel, and D. Dadyburjor, Organizers D. L. DuBois, Organizer, Presiding 3:00 112. Reversible conversion between chemical and electrical energies catalyzed by Ru complexes aimed to construct sustainable society. K. Tanaka, T. Wada, E. Fujita, J. T. Muckerman 3:50 113. Photochemical CO2 reduction by rhenium and ruthenium complexes. E. Fujita, J. T. Muckerman, K. Tanaka 4:15 114. Photoelectrochemical conversion of carbon dioxide to methanol and higher alcohols: A chemical carbon sequestration strategy. A. B. Bocarsly, E. E. Barton 4:40 Intermission. 4:50 115. Mechanistic studies of the copolymerization reaction of oxetane and carbon dioxide to aliphatic polycarbonates: Optimization of the Cr(III) salen catalyst system. D. J. Darensbourg, A. I. Moncada 5:15 116. Synthesis of dimethyl carbonate from methanol and CO2: A comparative study of homogeneous and heterogenized catalysts. A. Dibenedetto, C. Pastore, M. Aresta 5:40 117. Cleaning synthesis of 1,3-diphenylurea from CO2 via urea. Y. Zhimin, P. Yixia, L. Huiquan, D. Youzhi, Z. Yi 6:05 118. CO2 reforming of methane into syngas over nanosized sol-gel made bimetallic catalysts. S. Itkulova, G. Zakumbaeva

Section D Section C Morial Convention Center Rm. 239 Hybrid Nanotechnologies for an Enhanced CO2 Fixation CO2 Separation Technologies Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16), and ENGENV

V. S-Y. Lin, Presiding

M. Aresta, R. Tabita, Z. Jiang, D. Dadyburjor, and D. L. DuBois, Organizers

C-J. Liu, Organizer, Presiding

B. Demirel, Organizer, Presiding

1:45 89. Green catalysis with alternative feedstocks. G. J. Hutchings 2:20 90. An experimental and theoretical study of dimethyl carbonate synthesis on cu-y zeolite. A. T. Bell 2:55 91. Multifunctional mesoporous nanoparticles for environmentally friendly catalysis and bioenergy applications. V. S-Y. Lin 3:15 92. Green conversion of cellulose pretreated by ionic liquids to glucose. Y-W. Suh, S-J. Kim, I. B. Ju, D. J. Suh 3:35 Intermission. 3:45 93. Catalysis base for optimal utilization of natural gas. X. Bao

1:00 Introductory Remarks.

B. Jang and R. Glaeser, Organizers



Morial Convention Center Rm. 238 Clean Energy, Fuels and Chemicals from Biomass Biofuels Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16), CATL, and ENGENV

P. O’Connor, S. Czernik, H. Heinerman, and M. N. Karim, Organizers H. Gosselink, Organizer, Presiding 1:30 119. Biofuels and catalysis. H. Heinerman 2:00 120. Creating new NAVY fuels from biobutanol. M. E. Wright, B. Harvey, R. L. Quintana 2:30 121. Development of next generation biofuels, positive engine tests with furanics. E. DeJong, L. Sipos, J. Purmova, G-J. Gruter 3:00 122. High enthalpy biofuels. N. M. Irving 3:30 Intermission. 3:40 123. Petroleum substitutes from the essential oils of eupatorium plant species. R. K. Belter 4:10 124. Instant quantification of biodiesel concentration in diesel fuels. D. P. B. Forshee

FUEL 4:40 125. Refinery hydrotreated diesel production by organic oils hydroconversion. N. F. Fernandes Sr., L. J. Mignaco, J. R. Gomes


Section F

MONDAY EVENING


Section A

Advances in Catalysis and Biocatalysis in Refining Sponsored by AIChE Fuels and Petrochemicals Division (Group 16), Cosponsored by FUEL‡


M. M. Maroto-Valer, M. Balamesh, R. W. Pike, and A. Khogeer, Organizers

M. M. Maroto-Valer, Organizer

Sci-Mix

2:00 99030. 1-Butene alkylation reactions on PtSOxZr/TiZrOy catalyst. R. E. Galiasso Tailleur, J. V. Andretti Salva 2:30 99031. Isomerization of hexane on Pt-Au nanoparticles supported on zeolites. J. Fraissard Sr., V. Gerda, K. I. Patrylak, Y. G. Voloshyna 3:00 99032. Surface chemistry of carbon on Ni and Ni-alloys: Promotion of the longterm stability of reforming Ni catalysts by surface alloying. S. Linic, E. Nikolla 3:30 99033. Biocatalytic systems for aromatic oxidations. A. M. McIver, T. L. Peeples 4:00 99034. Simulation process of biodiesel production over heterogeneous catalysts. M. Xu, K. Wilson, J. Sadhukhan 4:30 99035. Whole-cell biocatalysis in biphasic media for oxidation of naphthalene. S. V. B. J. Garikipati, T. L. Peeples

8:00–10:00 2, 7, 12-13, 21, 24, 26, 36, 58, 69, 72, 79-80, 98, 101-102, 104, 122. See previous listings. 126. Effects of chemical additives on compressive strength of fly ash-desulphogypsum. Y. Yuan, L. Qi 127. Experimental studies of the electrostatic precipitability of the fly ash blending-burnt ZHUNGEER coal in China. L. Qi, Y. Yuan 128. Preparation and characterization of mcm-41 as solid super acidic catalysts. L. Tao 129. Preparation and characterization of Nafion-SiO2 composite membranes. C. Chen, S. Chen, K. Cui 130. Synthesis and characterization of carboxylic substituted binuclear iron phthalocyanines. X. Si 147, 163-164, 176, 179, 186, 188, 202, 224, 233-234, 247. See subsequent listings.

Section D

Section B



Liquefied Natural Gas (LNG) Regasification Sponsored by AIChE Gas Utilization Topical (Group 16), Cosponsored by FUEL‡

Computational Methods and Molecular Modeling in Fuel Chemistry Cosponsored by ENGENV

C-H. Chiu and M. M. Maroto-Valer, Organizers 2:00 99036. An old technology and a new application in processing rich LNG to meet pipeline gas specification at LNG receiving terminals. C. C. Yang, Z. Huang 2:20 99037. Optimized vaporization process with unfavorable design conditions. I-S. Chun 2:40 99038. Considerations for ambient air-based technologies for LNG regasification terminals. K. Shah, J. Wong, B. Minton 3:00 99039. LNG Pump applications with variable speed motor controls at LNG regasification terminals. J. Lovelady, J. Wong, B. Minton 3:20 99040. SIMAR Applications in gas processing: Supercritical feed stream. C. M. Yengle, S. Huang 3:40 99041. Utilization of atmospheric heat exchangers in LNG vaporization processes: A comparison of systems and methods. T. Dendy, R. Nanda 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production from Biomass Sponsored by PETR, Cosponsored by FUEL, CATL, and ENGENV George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Sponsored by PETR, Cosponsored by COLL, CATL, and FUEL


A. Cugini, D. T. Daly, M. S. J. Gutowski, D. A. Dixon, and C. V. Naik, Organizers 8:00–10:00 131. Assesment of alternative fuels for cement process. A. V. Lopez, R. Guzman, J. Morales, N. Machin, F. Alape 132. Integrated system-level modeling for diesel-based nox aftertreatment. A. B. Mhadeshwar, D. G. Norton, G. A. Deluga, D. Hancu 133. Investigation into sulfur poisoning processes in Ni-based catalysts using quantum-chemical computations. J. H. Wang, M. C. Lin, M. Liu 134. Numerical study about environment contaminants in coal-burning power plant. F. Zeng, X. Sun

TUESDAY MORNING Section A Morial Convention Center Rm. 242 Storch Award Symposium

S. R. Kelemen, Organizer M. Siskin, Presiding 8:25 Introductory Remarks. 8:30 135. In situ studies of coal pressurized with CO2 by small angle and high energy X-ray scattering. R. E. Winans, K. W. Chapman, P. J. Chupas, S. Seifert, T. Clemens, J. Mathews, M. R. Narkiewicz 8:55 136. Intermolecular ring current effects using solid-state NMR and nucleus-independent chemical shifts. M. D. Halling, R. J. Pugmire, D. M. Grant 9:20 137. Pyrolysis mechanisms of lignin model compounds. P. F. Britt, A. C. Buchanan III, M. K. Kidder 9:45 138. Kinetics of kerogen extracted from Green River oil shale measured at different pressures. T. H. Fletcher, J. Hillier 10:10 Intermission.

10:25 139. Integrated use of direct solidstate chemical probes for chacterizing the chemical structure of coal and kerogen. S. R. Kelemen, M. Afeworki, H. Freund, P. J. Kwiatek, M. Sansone, C. C. Walters 10:50 140. Application of a stochastic chemical structure-chemical yields model to asphaltene characterization and pyrolysis. H. Freund, S. R. Kelemen, C. C. Walters, M. Siskin, M. Afeworki 11:15 141. Formation and evolution of reservoir solid bitumen using chemical structure-chemical yields modeling. C. C. Walters, S. R. Kelemen, H. Freund

Section H Morial Convention Center Rm. 349 Developing Environmental Foresight through Computational Chemistry and Modeling Sponsored by AIChE Catalysis and Reaction Engineering Division (Group 20), Cosponsored by FUEL‡ and ENGENV

L. J. Broadbelt and P. Blowers, Organizers 8:30 99053. Prescreening for environmentally-important properties through computational chemistry. D. A. Gallagher 8:55 99054. Prediction of global warming potentials through computational chemistry: Testing robustness of methodology through experimental comparisons. P. Blowers, K. Hollingshead 9:20 99055. Predicting ozone formation in the troposphere using mechanistic modeling. L. J. Broadbelt, S. Khan 9:45 99056. Mathematical modeling of leaching of heavy metals from biofilm coated cement based waste forms. N. W. Loney, M. Tabatabaie, R. Jaiswal 10:10 99057. Phosphorus fractions and phosphate sorption characteristics of sediments from the Three-Gorges Reservoir (China) in relation to the environmental conditions. Y. Wang, Z. Shen, H. Wang 10:35 99058. New mathematical method for prediction of pollutant in river simulated by gas chromatography measurment. E. Jamshidi Sr., A. Bahramian III

Section B

Section D Morial Convention Center Rm. 389 Liquefied Natural Gas (LNG) Equipment Sponsored by AIChE Gas Utilization Topical (Group 16), Cosponsored by FUEL‡

C-H. Chiu and M. M. Maroto-Valer, Organizers 8:30 99077. Affinity law deviations in high pressure LNG pump performance. S. D. Alison-Youel 8:50 99078. Practical configuration of large scale refrigerant compressors. V. Kumar, D. Attaway, H. Kotzot 9:10 99079. Cost and drivers for LNG plant/ terminal site preparation and foundations. P. Rao, J. C. Kuo 9:30 99080. Modeling of an industrial gas processing unit considering environmental and economic impacts. P. N. Sharratt, A. Hernández Enríquez, A. Flores Tlacuahuac 9:50 99081. Reliable thermodynamic data for improving LNG scrub column design. L. M. Laskowski, M. Kandil, E. May, M. Trebble, R. Trengove, J. Trinter, S. Huang, K. Marsh 10:10 99082. Marine boil-off gas recovery improvement by performing slow loading at Bontang LNG terminal. J. A. Indriawan 10:30 99083. Power recovery in LNG regasification plants. M. Amsyari, C-H. Chiu, M. Sutedjo, H. E. Kimmel 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production from Fossil Fuels and for Refinery Applications Sponsored by PETR, Cosponsored by FUEL, CATL, and ENGENV Engineering the Transition to the Bioeconomy Science and Technology Sponsored by CINF, Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), FUEL, and ENGENV



Heavy Oil Chemistry Sponsored by AIChE Fuels and Petrochemical Division (Group 16), Cosponsored by FUEL‡ and ENGENV

TUESDAY AFTERNOON Section A

I. A. Wiehe, J. F. Schabron, P. Rahimi, J. Chen, and A. Khogeer, Organizers 8:30 99066. Characterization of heavy oil polar components by solubility separations. J. F. Schabron, J. F. Rovani Jr. 9:00 99067. Subfractionation of asphaltenes from Brazilian vacuum residues. L. C. Navarro Quintero, P. R. Seidl, L. Tasic, K. Leal, S. M. C. Menezes 9:30 99068. Adsorption studies of heavy molecules on solids sorbents. F. Lopez-Linares, L. Carbognani, C. Sosa-Stull, A. Hassan, R. J. Spencer, P. R. Pereira-Almao 10:00 99069. Correlation of distillation and nebulization temperature of bitumen by use of atmospheric pressure photoionization Fourier transform ion cyclotron resonance mass spectrometry. A. M. McKenna, J. M. Purcell, R. P. Rodgers, P. Rahimi, A. G. Marshall 10:30 99070. Hydrotreating and catalytic cracking of bitumen-derived vacuum and heavy coker gas oils. W. M. Ewert, J. E. Bares, W. E. Alvarez, B. A. Todd 11:00 99071. Estimation of microcarbon residue for heavy oils and fractions. A. Hassan, L. Carbognani, P. R. Pereira-Almao

Morial Convention Center Rm. 242 Green Chemistry for Sustainable Energy Supply and Conversion Novel Catalysis Cosponsored by I&EC, PETR, and ENGENV

R. Glaeser and C-J. Liu, Organizers C-Y. Mou, Presiding B. Jang, Organizer, Presiding 1:45 142. Highly selective formation of lower olefins from bioethanol on nickel ionloaded mesoporous silica catalysts. M. Iwamoto 2:20 143. Synthesis of nanocrystalline catalysts by colloidal chemistry and plasma electrochemistry in ionic liquids. F. Endres 2:40 144. Recent advances of catalyst development using nonthermal plasma technology. B. W-L. Jang, C. Shi, M. Helleson 3:00 145. Gallium-promoted mesoporous sulfated zirconia: A catalyst for n-butane isomerization. C. Y. Mou, S. Y. Lin, X-R. Chen 3:35 Intermission. 3:45 146. Progress of nanoporous silicates for green catalysis. S-K. Ihm

TECH–63

TECHNICAL PROGRAM

FUEL 4:20 147. Compact reactor and process for syngas into wax conversion using hightemperature iron catalyst. A. Czernichowski, M. Czernichowski, P. Czernichowski, J. Hardvigsen 4:40 148. Opportunities for efficiency improvement in high temperature FischerTropsch hydroprocessing units. A. De Klerk, M. J. Strauss 5:00 149. Alternative nickel catalyst preparation for a better coke resistance performance. Y-P. Zhang, D. Cheng, X-L. Zhu, Y. Pan, C-J. Liu

Section B Morial Convention Center Rm. 240/241 Hybrid Nanotechnologies for an Enhanced CO2 Fixation CO2 Conversion into Products of the Chemical and Energy Industry: Heterogeneous Catalysis Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16) and ENGENV

M. Aresta, R. Tabita, Z. Jiang, B. Demirel, and D. L. DuBois, Organizers D. Dadyburjor, Organizer, Presiding 1:30 150. CO2 Fixation in polymers. T. E. Müller 1:55 151. Roles of the first and second coordination spheres in carbon dioxide reduction catalysts. D. L. DuBois, A. M. Appel 2:20 152. Direct synthesis of diethyl carbonate from CO2 and ethanol over CexZr1-xO2 catalyst. W. Wang, Y. Zhang, X. Cao, S. Wang, Y. Sun, X. Ma 2:45 153. Modified cerium(IV) oxide for an efficient carboxylation of methanol. M. Aresta, C. Pastore, A. Dibenedetto, B. Aresta 3:10 154. GlidArc plasma for CO2 dry reforming. A. Czernichowski, K. Wesolowska 3:35 Intermission. 3:45 155. Synthesis of carbonates and urethanes from carbon dioxide. T. Sakakura, J-C. Choi, K. Kohno, H. Yasuda 4:10 156. Synthesis of methylene diphenyl dicarbamate in compound-solvent system over liquid acid. P. Yixia, Y. Zhimin, L. Huiquan, G. Xue, Z. Yi 4:35 157. MgO-ZrO2 solid solutions as effective catalysts for the synthesis of cyclic carbonate. J. Ma, S. Liu, J. Li, N. Zhao, W. Wei, Y. Sun 5:00 158. Photoreduction of CO2 on titania: Quantum chemical calculations and experimental studies. V. P. Indrakanti, J. D. Kubicki, A. V. Mitin, H. Schobert 5:25 159. CO2 Reforming of CH4 over the highly stable Ni-CaO-ZrO2 nanocomposites. S. Liu, J. Li, N. Zhao, W. Wei, Y. Sun

2:25 162. Development of fuel and valueadded chemicals from pyrolysis of wood/ waste plastic mixture. P. Bhattacharya, P. Steele, L. L. Ingram, C. U. Pittman Jr. 2:45 163. Unimolecular decomposition reactions of 2-Phenylethyl phenyl ether. M. W. Jarvis, J. W. Daily, H-H. Carstensen, A. M. Dean, M. R. Nimlos 3:05 Intermission. 3:15 164. Liquid fuels from high-diversity grassland perennials. B. Zhang, M. von Keitz, K. Valentas 3:35 165. A method for neutralization and stabilization of biomass pyrolysis oils. L. Moens, S. R. Czernik 3:55 166. Experimental studies on the upgrading of fast pyrolysis oil to liquid transportation fuels. J. Wildschut, E. H. J. Heeres 4:15 167. Impact of oxygenated compounds issued from lignocelullosic biomass pyrolysis oils on gas oil hydrotreatment. A. Pinheiro, D. Hudebine, N. Dupassieux

Section D Morial Convention Center Rm. 238 Advances in Analytical Characterization for Fuel Science Cosponsored by ENGENV

R. Winans and V. L. Cebolla, Organizers 1:40 Introductory Remarks. 1:45 168. Bridging the pressure gap: Probing surface structure with the differential PairDistribution-Function approach. P. J. Chupas, K. W. Chapman 2:10 169. Recent advances of GISAXS at APS. B. Lee, S. Seifert, R. E. Winans, S. Lee, Y. Lei, S. Vajda 2:35 170. Structural characterization of Green River oil-shale at high-pressure using pair distribution function analysis and small angle X-ray scattering. D. R. Locke, P. J. Chupas, K. W. Chapman, R. J. Pugmire, R. E. Winans 3:00 171. Time-resolved pressure studies of CO2 in coal by SAXS. J. M. Calo, E. J. Bain, R. E. Winans, S. Seifert, A. H. Clemens 3:25 Intermission. 3:40 172. Evaluation of XPS for analysis of nitrogen and sulfur forms in oil shale. S. R. Kelemen, M. Siskin, P. J. Kwiatek, C. C. Walters 4:05 173. Petroleomics: Chemical “Dark Matter”. A. G. Marshall, G. T. Blakney, C. L. Hendrickson, R. P. Rodgers, D. F. Smith, J. M. Purcell 4:30 174. Petroleum characterization by laser-induced acoustic desorption/chemical ionization/FT-ICR mass spectrometry. H. I. Kenttamaa

Section B Section C Morial Convention Center Rm. 239 Clean Energy, Fuels and Chemicals from Biomass Biomass Pyrolysis for the Production of Fuels and Chemicals Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16), CATL, and ENGENV

H. Heinerman, S. Czernik, M. N. Karim, and H. Gosselink, Organizers P. O’Connor, Organizer, Presiding 1:45 160. Quantitative estimations of the reaction rate and the change in solid quality during biomass pyrolysis. K. Hashimoto, I. Hasegawa, J. Hayashi, K. Mae 2:05 161. Research into fast pyrolysis of biomass, preliminary assessment of potential prospect to use agriculture residua like oats hulls, flax shives and similar. J. Piskorz, P. Majerski, E. Hogan


64–TECH

Morial Convention Center Rm. 386 Heavy Oil Chemistry Sponsored by AIChE Fuels and Petrochemical Division (Group 16), Cosponsored by FUEL‡ and ENGENV

I. A. Wiehe, J. F. Schabron, P. Rahimi, J. Chen, and A. Khogeer, Organizers 2:00 99100. Emulsion characterization by ultrahigh resolution FT-ICR mass spectrometry. B. M. Ehrmann, P. Juyal, R. P. Rodgers, A. G. Marshall 2:30 99101. Water-extractable components from heavy crude. S. Taylor, B. B. Randolph 3:00 99102. Liquid-phase decarboxylation of naphthenate acids in oil. L. Yang, M. R. Gray 3:30 99103. Adsorption of virgin and thermal cracked asphaltenes for gasification. C. Sosa-Stull 4:00 99104. User controlled kinetic network generation with INGen. C. A. Bennett, Z. Hou, M. T. Klein 4:30 99105. Kinetic study of extra heavy crude oil upgrading using hydrogen donors under cyclic steam injection conditions. C. Ovalles, J. Martinis, E. Cotte, J. L. Benitez

Section D

Section B



Liquefied Natural Gas (LNG) Equipment Sponsored by AIChE Gas Utilization Topical (Group 16), Cosponsored by FUEL‡

Hybrid Nanotechnologies for an Enhanced CO2 Fixation Biological Conversion of CO2 into Usable Chemicals Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16) and ENGENV

C-H. Chiu and M. M. Maroto-Valer, Organizers 2:00 99106. Proposed application of a Sterling-cycle energy recovery system for LNG boil-off ground flare. A. B. Clinton, C. D. Finley 2:20 99107. Development of a novel fullstring test facility for two-phase LNG expanders. C. D. Finley 2:40 99108. Recent developments in the prediction and optimization of the mixing of different qualities of LNG in a storage tank. D. T. Uznanski, F. Waz, Y. Zellouf 3:00 99109. Thermodynamics of liquid-vapor two-phase draft tubes for liquefied gas expanders. H. E. Kimmel, Y. Kikkawa, C-H. Chiu 3:20 99110. Design considerations for propane condenser approach temperature in an air cooled LNG plant. J. C. Kuo, P. M. Shah, B. Martinez 3:40 99111. A study on the improvement of radiographic test method on 9% Ni steel welds for LNG storage tanks. S-R. Lee, J. Y. Kim, J. S. Park, Y-S. Lee 4:00 99112. Detection and measurement of fugitive methane gas emission using infrared imaging camera. A. Saftri, M. S. Mannan 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production for Fuel Cells Sponsored by PETR, Cosponsored by FUEL, CATL, and ENGENV Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

WEDNESDAY MORNING Section A Morial Convention Center Rm. 242 Clean Energy, Fuels and Chemicals from Biomass Biomass Pretreatment and Biological Processes Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16), CATL, and ENGENV

P. O’Connor, H. Heinerman, M. N. Karim, and H. Gosselink, Organizers S. Czernik, Organizer, Presiding 9:00 175. One-step cellulosic ethanol production. M. N. Karim, S. Ryu 9:30 176. Ethanoligenens harbinense YUAN-3 produces hydrogen in extended batch culture for full-scale reactor. T. Xie, N. Ren, D. Xing, S. Wang, J. Wan 10:00 177. NMR spectroscopic characterization of solid residues from acid hydrolysis of loblolly pine wood. C. Sievers, T. Marzialetti, T. J. Hoskins, M. B. Valenzuela, P. K. Agrawal, C. W. Jones 10:30 Intermission. 10:45 178. Understanding pretreatment processes. D. K. Johnson, R. Elander 11:15 179. Kinetics of xylose reversion reactions during acid pretreatment. M. R. Nimlos, H. M. Pilath, D. K. Johnson, X. Qian, H. Dong, M. E. Himmel

M. Aresta, Z. Jiang, B. Demirel, D. Dadyburjor, and D. L. DuBois, Organizers R. Tabita, Organizer, Presiding 8:50 Introductory Remarks. 9:00 180. New carbon dioxide fixation pathways. G. Fuchs 9:50 181. Bacterial microcompartments and carbon chemistry: Structure of the carboxysome and its function in CO2 capture. C. A. Kerfeld, F. Cai, T. O. Yeates, G. C. Cannon, S. Heinhorst 10:15 182. Reworking of the genetic code enabled biological methane and carbon dioxide formation from methylamines. J. A. Krzycki 10:40 Intermission. 10:55 183. Oxidation of CO to CO2 by CO dehydrogenases: Enzymology, mechanism, and posttranslational maturation. O. O. Meyer, A. M. Pelzmann, V. A. Svetlitchnyi 11:20 184. Reductive activation of the A cluster in the ACDS multienzyme complex in Archaea. D. A. Grahame, S. Gencic

Section C Morial Convention Center Rm. 239 Advances in Analytical Characterization for Fuel Science Heavy Hydrocarbons Cosponsored by ENGENV

R. Winans and V. L. Cebolla, Organizers 8:30 185. What solid state NMR can tell us about kerogen structure. R. J. Pugmire, M. S. Solum 8:55 186. Learning from biodiesel NMR. M. A. ter Horst, A. Rieth, M. Bowden, C. McMillan, S. Urban 9:20 187. An analytical method for screening compositional changes in upgrading catalytic refining processes. A. Mendez, J. A. Lubkowitz, R. Meneghini, L. Carbognani, P. Pereira Almao 9:45 188. Responses of fossil-fuel related, nonfluorescent analytes in planar chromatography and HPLC-GPC using fluorescence detection by intensity changes. V. L. Cebolla, E. Galvez, E. Mateos, A. Delgado, M. Matt, L. Membrado, J. Galbán, J. Vela 10:10 Intermission. 10:25 189. Simulation of asphaltene determination using an evaporative light scattering detector. E. Rogel, C. Ovalles, M. Moir 10:50 190. Prediction of the carcinogenic activity of two large PAH produced from the supercritical pyrolysis of Synthetic Jet Fuel S-8. J. O. Oña, M. J. Wornat 11:15 191. Simple analytical tool for characterizing biodiesel products. E. M. Deemer, W-Y. Lee, X. C. Kretschmer, R. R. Chianelli


FUEL Section D Morial Convention Center Rm. 238 Ultraclean Transportation Fuels Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16), CATL, and ENGENV

I. K. Gamwo and O. I. Ogunsola, Organizers 8:25 Introductory Remarks. 8:30 192. The role of structures and reaction pathways in Co-Mo-S type nanocrystals used for the production of ultraclean transportation fuels. H. Topsøe, B. Hinnemann, P. G. Moses, J. Lauritsen, J. Kibsgaard, F. Besenbacher, N-Y. Topsøe, S. Helveg, M. Brorson, J. K. Nørskov, K. Knudsen 9:15 193. New insight on competitive reactions during deep HDS of FCC gasoline. N. Dos Santos, M. Vrinat, H. Dulot, N. Marchal 9:40 194. Insight into the HDS catalytic performance of Co- and/or Ni-promoted Mo and/or W sulfide catalysts. S. L. González-Cortés, T. Xiao, S. Rugmini 10:05 Intermission. 10:20 195. FCC naphtha desulfurization: Improving selectivity via catalyst geometry. L. E. Leonard, P. Kokayeff 10:45 196. Deep desulfurization of model gasoline over photoirradiated titaniumpillared montmorillonite. P. Na, B. Zhao, J. Zhang, J. Na, W. Ji, J. Lu, J. Liu 11:10 197. Photochemical oxidation of thiophenic molecules with peroxides in a microreactor as part of an oxidative fuel desulfurization system. A. Yokochi, E. Hebert, J. Parker, G. Jovanovic 11:35 198. Combustion and exhaust emission characteristics of a new oxygenate blend as a clean diesel engine fuel. H. Guo, J. He, S. Liu, G. Li, L. Zhou

Section I Morial Convention Center Rm. 386 Fouling Mitigation Sponsored by and AIChE Fuels and Petrochemicals Division (Group 16), Cosponsored by FUEL‡ and ENGENV

J. F. Schabron, P. Rahimi, I. A. Wiehe, C. Panchal, and B. Wright, Organizers

9:45 99136. A preliminary physical-chemical analysis of steam reforming of biogas from a small wastewater treatment system of a university campus. A. C. C. Souza, J. L. Silveira Sr., M. E. Silva, M. Corghi 10:10 99137. Biomass to biofuels: Catalytic conversion of biomass-derived synthesis gas to oxygenates. M. Anjom, S. Joseph, D. Mahajan

Morial Convention Center Rm. 389 Liquefied Natural Gas (LNG) Safety Sponsored by AIChE Gas Utilization Topical (Group 16), Cosponsored by FUEL‡

C-H. Chiu and M. M. Maroto-Valer, Organizers 8:30 99138. Acoustic analysis of explosive LNG rapid phase transition on water. E. Salzano, R. Bubbico 8:50 99139. The development of BayesianLOPA methodology for risk assessment of an LNG importation terminal. G-W. Yun, M. S. Mannan 9:10 99140. Energy based risk methodology for collision protection of LNG carriers. R. Pitblado 9:30 99141. Modeling underwater penetration of LNG carrier. J. L. Woodward 9:50 99142. LNG Computational fluid dynamics consequence modeling comparison with the Brayton Fire School Tests. B. Cormier, M. S. Mannan 10:10 99143. LNG Pool Fire models: Similarities and differences. F. Gavelli, M. K. Chernovsky, H. K. Kytomaa 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production for Fuel Cells Sponsored by PETR, Cosponsored by FUEL, CATL, and ENGENV Engineering the Transition to the Bioeconomy Commercialization Sponsored by CINF, Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), FUEL and ENGENV Roles of Catalysis in Fuel Cells Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, and ENGENV

WEDNESDAY AFTERNOON

Section K

H. Heinerman, Organizer, Presiding

Hydrogen Production Sponsored by AIChE Gas Utilization Topical (Group 16), Cosponsored by FUEL‡

B. Demirel, M. M. Maroto-Valer, and D. Duvenhage, Organizers 8:30 99133. Hydrogen generation process. Z. Jia, L. Stryker, D. Decker, M. Wood 8:55 99134. Low-cost high-efficiency distributed hydrogen production. K. DuraiSwamy, J. L. Mauzey, A. S. Chellappa 9:20 99135. A study of steam reforming of ethanol for hydrogen production: Technical and experimental analysis utilizing NiCu/ Al2O3. J. L. Silveira Sr., A. C. C. Souza, M. E. Silva, M. I. Sosa Sr., M. Corghi, V. Soliani

Morial Convention Center Rm. 240/241 Hybrid Nanotechnologies for an Enhanced CO2 Fixation Biotechnological Conversion of CO2 Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16) and ENGENV

Section D

8:30 99128. Isokinetic phenomena in crude oil fouling. C. A. Bennett, B. D. Crittenden 9:30 99129. Design approach for mitigating fouling of reboilers and F/E exchangers. C. Panchal, B. Ljubicic 10:00 99130. Heat exchanger performance enhancement through the use of tube inserts. A. W. Krueger 10:30 99131. Investigation of fouling of crudes with low asphaltenes. P. Rahimi, I. A. Wiehe, T. Alem 11:00 99132. Thermodynamic model of sediment deposition in the LC-Fining process. K. M. Sundaram, U. Mukherjee, M. Baldassari


Section B

Section A Morial Convention Center Rm. 242 Clean Energy, Fuels and Chemicals from Biomass Biomass Gasification Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16), CATL, and ENGENV

P. O’Connor, S. Czernik, M. N. Karim, and H. Gosselink, Organizers

1:30 199. Effects of iron oxide on the partial oxidation of a solid fuel model compound. J. A. Robles, M. J. Wornat 1:50 200. Importance of a noncatalytic step in the distributed reforming of bio-oil for hydrogen production. J. R. Marda, S. R. Czernik, A. M. Dean, R. Evans, R. J. French, M. A. Ratcliff 2:10 201. Temperature and feedstock effects on tar formation during pilot-scale biomass gasification. D. Carpenter, S. Philips, K. Gaston, S. Deutch, C. Feik, R. French, M. Nimlos 2:30 Intermission. 2:45 202. Waste glycerol conversion into synthesis gas. A. Czernichowski, M. Czernichowski, J. P. Sessa 3:05 203. XANES investigation of Mn-promoted Fe-based Fischer-Tropsch catalysts. A. Campos, N. Lohitharn, J. J. Spivey, A. D. Roy, E. Lotero, J. G. Goodwin Jr.

M. Aresta, R. Tabita, B. Demirel, D. Dadyburjor, and D. L. DuBois, Organizers Z. Jiang, Organizer, Presiding 1:30 204. Biomimetic coimmobilization of three dehydrogenases in protaminetemplated titania particles for efficient conversion of CO2 into methanol. Y. Jiang, L. Zhang, Q. Sun, Y. Zhang, J. Li, L. Li, Z. Jiang 1:55 205. Carbon dioxide fixation from closed air by Chlorella vulgaris and hydrogels-enzyme. H. Chen, Y. Zhang, L. Fan, L. Cheng, L. Zhang 2:20 206. Carbon dioxide fixation in the nanocomposite hydrogels containing intercalated hydrotalcite. Y. Zhang, L. Cheng, L. Fan, L. Zhang, H. Chen 2:45 207. Enhanced biofixation of carbon dioxide in a membrane-sparged airlift photobioreactor. L. Fan, L. Cheng, Y. Zhang, L. Zhang, H. Chen 3:10 208. Efficient conversion of CO2 to formic acid by formate dehydrogenase encapsulated in biomimetic hydroxyapatite–polysaccharide microcapsules. Y. Jiang, L. Zhang, L. Li, Y. Zhang, J. Li, Z. Jiang

Section C Morial Convention Center Rm. 239 Ultraclean Transportation Fuels Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16), CATL, and ENGENV

L. E. Leonard and S. Poddar, Organizers 1:30 209. Characterization of diesel emission from in-use vehicles and an engine in Beijing, China. J. Zhang, K. He, J. Lents, Q. Wang 1:55 210. Effect of temperature and hydrogen pressure in deep hydrodearomatization of diesel fuel. J-J. Yuan, B. Gevert 2:20 211. Nanostructured molybdenum sorbent for selective sulfur removal from transport fuels. F. Shi, K. Cychosz, A-W. Foy, A. J. Matzger, L. T. Thompson 2:45 212. Desulfurization of liquid fuels by adsorption. A. Jayaraman, G. O. Alptekin, M. Dubovik, M. Schaefer, J. Monroe, K. Bradley 3:10 213. Complete conversion of carbohydrate and water to hydrogen and carbohydrate dioxide by a synthetic enzymatic pathway. Y-H. P. Zhang, B. R. Evans, J. Mielenz, M. Adams 3:35 Intermission. 3:50 214. Initial studies of the feasibility of performing the Bunsen reaction in a low vapor pressure liquid medium. A. Yokochi, N. AuYeung 4:15 215. Simulation of methane production in a laboratory-scale reactor containing hydrate-bearing porous medium. I. K. Gamwo, E. M. Myshakin, W. Zhang, R. P. Warzinski 4:40 216. In situ TPR XANES study of the partial oxidation of methane using a Nisubstituted hexaaluminate catalyst. E. L. Kugler, T. H. Gardner, A. Campos, J. Hissam, J. J. Spivey, A. D. Roy


5:05 217. Research on methyl 2-butoxyethyl carbonate as an oxygenated fuel for diesel engine. H. Guo, Q. Zeng, G. Li, S. Liu

Section D Morial Convention Center Rm. 238 Chemistry of Carbon Materials and Nanomaterials Porous Carbons Cosponsored by ENGENV‡

P. Aksoy, Organizer R. Andrews and C. Burgess-Clifford, Organizers, Presiding 1:25 Introductory Remarks. 1:30 218. Combined use of gas adsorption and immersion calorimetry for the correct characterization of the narrow microporosity in carbon materials. J. Silvestre-Albero, F. Rodríguez-Reinoso 2:10 219. Surface enhancement of activated carbon for trace contaminant removal. D. Mazyck 2:50 Intermission. 3:05 220. Liquid phase alkene hydrogenations: Exploring the reactivity and selectivity of platinum over nanoporous carbon. B. M. Holbrook, R. Rajagopalan, H. C. Foley 3:25 221. Activated carbon nanofiber-based supercapacitor devices in various electrolytes. M. E. dela Cruz, C. N. Williams, K. S. Yang, J. P. Ferraris 3:45 222. Physical and chemical activation of petroleum coke and coke produced from co-coking of decant oil and coal. P. Aksoy, S. H. Figueroa, H. Schobert 4:05 223. Carbons from sugars: Morphology, microstructure and applications to gas storage. J. E. St.Dennis, P. Venkataraman, V. T. John, G. McPherson, J. He, C. Y. Jones, S. J. Obrey, R. P. Currier

Section I Morial Convention Center Rm. 386 Fouling Mitigation Sponsored by AIChE Fuels and Petrochemicals Division (Group 16), Cosponsored by FUEL‡ and ENGENV

I. A. Wiehe, J. F. Schabron, P. M. Rahimi, C. Panchal, and B. Wright, Organizers 2:00 99144. Tutorial on refinery fouling mitigation. I. A. Wiehe 2:35 99145. Solvent ranking for asphaltenes stability in pipeline transportation. P. Rahimi, S. Cooper 3:10 99146. Electrospray ionization FT-ICR mass spectrometry of “ARN” naphthenic acids in sodium and calcium naphthenate deposits, and crudes: Extraction and quantification. M. M. Mapolelo, R. P. Rodgers, A. T. Yen, J. D. Debord, S. Asomaning, A. G. Marshall 3:45 99147. Distillate hydrotreater fouling. G. Medine, B. Wright 4:20 99148. Inhibition of carbon deposition from jet fuel by surface coating. A. Ram Mohan, S. Eser

Section K Morial Convention Center Rm. 350 Hydrogen Production Sponsored by AIChE Gas Utilization Topical (Group 16), Cosponsored by FUEL‡

B. Demirel, M. M. Maroto-Valer, and D. Duvenhage, Organizers 2:00 99149. Development of dense membranes for hydrogen separation from coal gasification streams. U. Balachandran, T. H. Lee, C. Y. Park, S. E. Dorris 2:25 99150. Developing new wide band gap semiconductors for water photolysis. S. Masud, G. B. Saupe 2:50 99151. Steam reforming of methane in a novel microreactor. P. V. Mathure, A. V. Patwardhan, R. K. Saha

TECH–65

TECHNICAL PROGRAM

FUEL/GEOC 3:15 99152. Autothermal reforming of propane over alkali-doping on the hydrotalcite catalysts. S. Y. Park, J. H. Kim, J. S. Shin, N. C. Park, Y. C. Kim

Section D Morial Convention Center Rm. 389 Liquefied Natural Gas (LNG) Safety Sponsored by AIChE Gas Utilization Topical (Group 16), Cosponsored by FUEL‡

C-H. Chiu and M. M. Maroto-Valer, Organizers 2:00 99153. Design of safe LNG regasification terminals. V. H. Edwards 2:20 99154. LNG Vapor dispersion research needs. J. Havens 2:40 99155. Managing escalation risks in LNG terminals. J. Bartnes, B. Arslan 3:00 99156. Experimental study of effective water spray curtain application in dispersing LNG vapor clouds. M. A. Rana, M. S. Mannan 3:20 99157. A study on quantitative risk assessment model for LNG storage tank. M. Kang, S-R. Lee, Y-S. Lee 3:40 99158. High expansion foam 3-D temperature profile during application on LNG: Experimental results. J. Suardin, M. S. Mannan

9:10 231. Boron-doped and oxide-coated carbon nano-onions. J. P. Selegue, J. D. Craddock 9:50 Intermission. 10:05 232. Bulk carbon nanotube solids via in situ carbonization of low-cost organic precursors with organometallic catalysts. J. W. Long, M. Laskoski, T. M. Keller, K. A. Pettigrew, S. B. Qadri 10:25 233. Chemistry on N-doped MWNTs. M. Meier, R. Andrews, D. Jacques, K. B. Cassity, D. Qian 10:45 234. SWNT “Superpowers” have energy applications. D. J. Nelson, H. L. Rhoads, C. N. Brammer 11:05 235. Effect of carbon source and carrier gas on carbon nanotubes preparation by catalytic vapor deposition. Z. Li, J. Lv, Q. Zeng 11:25 236. Structural evolution of anthracite coals during reactive ball milling. A. Sakti, C. E. B. Clifford, A. D. Lueking

Section C Morial Convention Center Rm. 239 Oxy-Fuel Combustion Cosponsored by ENGENV

W-Y. Chen, D. R. Tree, M. Rostam-Abadi, and Y. Lu, Organizers

P. O’Connor, H. Heinerman, S. Czernik, and H. Gosselink, Organizers

9:00 Introductory Remarks. 9:10 237. Keynote Address. Oxy-fuel combustion: Technology prospects and research to accelerate deployment. T. F. Wall 9:50 238. Investigation of NOx destruction catalyzed by char oxidation in oxy-fuel combustion. D. R. Tree, A. J. Mackrory 10:20 239. Experimental study on desulfurization characteristics of limestone in oxy-fuel combustion atmosphere. C. Chen, Y. Zhao, C. Zhao 10:50 Intermission. 11:05 240. Comparative thermodynamic evaluation of oxygen carriers for chemical looping combustion of natural gas. R. D. Solunke, G. Veser 11:35 241. Radiation heat transfer calculation of coal-fired boiler in oxy-fuel combustion. H. Liu, J. Qiu, X. Wang, C. Sheng, F. Kong, H. Wu

M. N. Karim, Organizer, Presiding

Section M

9:00 224. Biodiesel from Jatropha oil. S. D. Kouame, J. M. Perez, S. Eser 9:20 225. Study on esterification-alcoholysis coupling reactions for producing fatty acid methyl esters (biodiesel) from waste and high acid value oils. F. Shubo, L. Huiqin, Z. Erli, W. Chunfang 9:40 226. Fuels from biomass via supercritical fluid processes. P. E. Savage, F. Resende, T. Pinnarat 10:00 Intermission. 10:15 227. Calcium oxide based materials as active catalyst for the etherification of glycerol. A. M. Ruppert, B. M. Weckhuysen 10:35 228. Methoxy functionalized palladium triphenylphosphine complexes: Active catalysts for the telomerization of crude glycerol. R. Palkovits, I. Nieddu, R. J. M. Klein Gebbink, B. Weckhuysen 10:55 229. Atmospheric photochemical aerosol formation from Diesel exhausts: A comparison of conventional and biofuels. J. H. Offenberg, M. Lewandowski, E. O. Edney, T. E. Kleindienst, M. Jaoui


Roles of Catalysis in Fuel Cells Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, and ENGENV

THURSDAY MORNING Section A Morial Convention Center Rm. 242 Clean Energy, Fuels and Chemicals from Biomass Fuels and Chemicals from Vegetable Oils Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16), CATL, and ENGENV

Section B Morial Convention Center Rm. 240/241 Chemistry of Carbon Materials and Nanomaterials Nanotubes and other Nanocarbons Cosponsored by ENGENV‡

C. Burgess-Clifford, R. Andrews, and P. Aksoy, Organizers, Presiding 8:30 230. Nanostructured carbons and carbon-based nanocomposites for energy related applications. G. Yushin

66–TECH

Gas Conversion and Separation Technologies Sponsored by AIChE Gas Utilization Topical (Group 16), Cosponsored by FUEL‡

B. Demirel, M. M. Maroto-Valer, and B. Rejai, Organizers 8:30 99165. Mechanistic study of the Fischer-Tropsch synthesis using transient kinetics. N. S. Govender, M. H. de Croon, J. C. Schouten 8:55 99166. Natural gas desulfurization for fuel cell applications by adsorption. G. O. Alptekin, A. Jayaraman, M. Dubovik, M. Schaefer, R. Amalfitano, M. Ware, K. Bradley 9:20 99167. Promoted ZnO sorbents for low temperature H2S removal: Influence of temperature, support surface area, pore volume and pore size. P. P. Dhage, V. Gaur, B. J. Tatarchuk 9:45 99168. Reduced order modeling of rate-based distillation columns. M. L. S. Welz, K. Moller, A. Chakraborty 10:10 99169. Investigation of hydrodynamics, heat and mass transfer simultaneously in liquid film flow on inclined plates using CFD. M. R. Ehsani, M. R. Khosravi Nikou Roles of Catalysis in Fuel Cells Role of Catalysis in Fuel Cells Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, and ENGENV


THURSDAY AFTERNOON Section A Morial Convention Center Rm. 242 Chemistry of Carbon Materials and Nanomaterials Carbon-Other Applications Cosponsored by ENGENV‡

C. Burgess-Clifford, R. Andrews, and P. Aksoy, Organizers, Presiding 1:30 242. Chemical modification of carbon by diazonium chemistry. M. Toupin, D. Bélanger 1:50 243. Novel materials for proton exchange membranes for fuel cells. G. J. D. Kalaw, I. H. Musselman, D-J. Yang, K. J. Balkus Jr., J. P. Ferraris 2:10 244. Metal ammines for safe energy storage. R. Z. Sørensen, A. Klerke, J. S. Hummelshøj, J. K. Nørskov, C. H. Christensen 2:30 Intermission. 2:45 245. Structure, surface chemistry and adsorption properties of nanostructured carbon materials obtained by templating of NaY zeolites. A. Didion, R. Gadiou, C. Vix-Guterl 3:05 246. Preparation of a novel platinum supported carbon catalyst and its application to VOC combustion. S. Ido, H. Nakagawa, K. Miura 3:25 247. One-step procedure for the modification of carbon powders with aminophenyl groups. A. Grondein, J. Lyskawa, T. Breton, D. Bélanger

Section B Morial Convention Center Rm. 240/241 Advances in Fuel Science and Technology

M. M. Maroto-Valer, Organizer 1:00 Introductory Remarks. 1:05 248. Deposit formation in a WtE boiler as a function of feedstock composition and operation. F. J. Frandsen, A. J. Pedersen 1:25 249. Investigation of the thermodynamic ideality of mixtures of polycyclic aromatic hydrocarbons. J. L. Goldfarb, E. M. Suuberg 1:45 250. Coal fractionation method utilizing high temperature solvent extraction: Characterization of Hypercoal. R. Ashida, S. Umemoto, K. Miura, N. Okuyama, M. Hamaguchi, N. Komatsu 2:05 251. Pyrolysis behavior of weak reductive coal from northwest China by TG-MS. H. Hu, Y. Zhao, L. Jin, B. Wu 2:25 252. Chain dynamics of Nafion姞 films neutralized with tetrabutyl ammonium counterions as investigated by broadband dielectric spectroscopy. M. K. Hassan, D. W. Rhoades, S. J. Osborn, R. B. Moore, K. A. Mauritz 2:45 253. Effect of in situ grown silicate particles on the performance and durability of Nafion® membranes. Y. P. Patil, S. Sambandam, V. Ramani, K. A. Mauritz 3:05 254. Activation of molecular hydrogen on palladium separation membrane surfaces in the presence of H2S. J. B. Miller, D. R. Alfonso, B. H. Howard, C. P. O’Brien, B. D. Morreale 3:25 Intermission. 3:35 255. Phosphoric acid movement in phosphoric acid doped polybenzimidazole membrane-electrode-assemblies. G. Qian, B. C. Benicewicz 3:55 256. Effects of volume fraction of PEG and fractional free volume on ionic transport in H+ conducting electrolytes. C. Sun, J. E. Ritchie 4:15 257. Induction of PQQ-dependent alcohol dehydrogenase in gluconobacter suboxydans for use as bioelectrocatalysts. Z. Zulic, S. D. Minteer 4:35 258. Modeling study on the changes of O3 production and NOX emission for summer seasons of 1995 and 2001 in the Great Lakes. S. Ma 4:55 259. Experimental and mechanism study on removal of trichlorobenzene by “oxygen-rich” highly reactive absorbent. Z. Yi

5:15 260. Preparation of ordered V-MCM-41 mesoporous materials with specific pore size expansion by post-synthesis hydrothermal treatment. J. Xu, W. Chu, F. Guo, X. Quan

GEOC Division of Geochemistry T. Filley and B. S. Ross, Program Chairs

SOCIAL EVENTS: Reception: Sun Social Hour: Sun

SUNDAY MORNING Section A Morial Convention Center La Louisiane, Blrm. C Clay Minerals Society Awards Symposium Cosponsored by The Clay Minerals Society

V. Hover, Organizer 8:20 Introductory Remarks. 8:25 CMS Presidential Welcome. R. Ferrell. 8:40 Introduction to the Pioneer in Clay Science Lecture. 8:45 1. Origin and fate of toxic elements from abandoned mining activities in the Riotinto area (Iberian Pyritic Belt, Spain). E. Galán 9:25 Introduction to the George W. Brindley Lecture. 9:30 2. The dregs of weathering: Secrets of kaolin and iron oxides in tropical soils. R. J. Gilkes 10:10 Intermission. 10:30 Introduction to the Jackson Mid-Career Clay Scientist Award. 10:35 3. Research on the smectite-illite reaction: Past history, current status, and future trends. H. Dong 11:15 Introductory to the Bailey Distinquished Member Award. 11:20 4. Clay isotope geochemistry: A contribution beyond dating. N. Clauer

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 211 General Session on Clays and Clay Minerals; CMS Clay Gumbo Clay Mineralogy Cosponsored by The Clay Minerals Society

B. S. Ross, Organizer 1:30 5. Chemical variations of the micas and chlorites compositions along natural geothermal gradient: Example of Helvetic Alps (Glarus). F. Bourdelle, T. Parra, O. Beyssac, E. A. Abderrazzak, E. Kohler 1:50 6. Clay mineralogy of an oolitic iron deposit in the Peace River district, Alberta, Canada. P. Uhlík, P. Kerr, T. Etsell, Q. Liu 2:10 7. Composition and structural properties of iron oxides in Lateritic bauxite in the Darling Range, Western Australia. S. Tawornpruek, R. J. Gilkes


GEOC 2:30 8. Characterization of fine fractions in bitumen froth and tailings produced by hot water extraction of oil sands from the Athabasca region, Alberta, Canada. H. A. W. Kaminsky, P. Uhlík, A. Hooshiar, D. G. Ivey, O. E. Omotoso, T. Etsell, Q. Liu 2:50 9. Clay mineralogical changes in Mediterranean mountain red/brown soils under various precipitation and drainage conditions. A. Sandler, F. Hubert, A. Meunier, B. Velde 3:10 Intermission. 3:30 10. Unraveling the provenance of the North Sea Muds in the Belgian coastal area using clay mineralogy. E. Zeelmaekers, N. Vandenberghe, J. Srodon 3:50 11. Mineralogy of the Del Rio Clay Formation (Cenomanian), West Texas: Illite/kaolinite ratios as indicators of proximity to riverine sources and/or provenance. F. S. Bases, V. C. Hover, B. E. Lock 4:10 12. Halloysite in relation to kaolinite: Unruly sibling or distant cousin? G. J. Churchman, B. K. G. Theng 4:30 13. Dissolution kinetics of dehydroxylated nickeliferous goethite. M. Landers, R. J. Gilkes

Section B Morial Convention Center Rm. 212 Advanced Approaches to Investigating Adsorption at the Solid-Water Interface Adsorption at Oxide-Water Interfaces Cosponsored by The Clay Minerals Society

L. J. Criscenti, H. Allen, and L. E. Katz, Organizers 1:30 14. Interaction of nitrate, barium, strontium and cadmium with fused quartz/water interfaces studied by second harmonic generation. F. M. Geiger 2:10 15. Simultaneous inner- and outersphere arsenate adsorption on iron and aluminum oxide surfaces. J. G. Catalano, C. Park, P. Fenter, Z. Zhang 2:30 16. Inner-sphere vs. outer-sphere: Ion adsorption at the mineral-water interface. P. Fenter, C. Park, V. Kohli, J. G. Catalano, Z. Zhang, K. L. Nagy, N. C. Sturchio 3:10 Intermission. 3:30 17. Role of water dipoles in adsorption reactions. D. A. Sverjensky 4:10 18. Application of double-resonance NMR methods to phosphate adsorption on boehmite. W. Li, J. Feng, B. L. Phillips 4:30 19. Structure and chemistry of aluminum on silica surfaces. S. C. B. Myneni, M. B. Hay, B. Mishra

Section C Morial Convention Center Rm. 213 Clay Minerals and Health Cosponsored by The Clay Minerals Society

J. Cervini-Silva and L. Williams, Organizers 1:30 20. Bioaccessible elements in edible earths. J. Crowner, R. E. Ferrell Jr. 1:50 21. Clay and human health: Benefits and risks. C. D. S. Figueiredo Gomes 2:30 22. Comparing antibacterial clay properties in search of new medicinal applications. A. Turner, L. Williams, C. Remenih, S. Haydel 2:50 23. The role of Fenton reactions on the photocatalytic activity of clay minerals. D. Kibanova, J. Cervini-Silva 3:10 Intermission. 3:30 24. Interaction of peptide PrP(92-138) and clay surface. Y. Chapron, L. Charlet, N. Sahai 4:10 25. Broad-spectrum antibacterial activities of clay minerals. S. Haydel, L. Williams 4:50 26. An in vitro toxicological study of small-sized oxide minerals. M. Henríquez-Salmerón, P. Lappe, P. Fernández-Lomelín, J. Cervini-Silva

MONDAY MORNING

Section C

Section A



The Impact of Hurricane Katrina from an Environmental and Petrochemical Perspective Cosponsored by The Clay Minerals Society, ENVR, YCC, and ENGENV

Archeological Clay Source Materials: Their Chemical, Mineralogical, and Physical Characteristics Cosponsored by The Clay Minerals Society

S. A. Skaggs and J. Wehby, Organizers

L. J. Ramillano and A. Jackson, Organizers

8:20 27. Clays in soils, plants and the history of agriculture. B. Velde 9:00 28. New methods for reconstructing paleoenvironments from terra rossa deposits: Implications for Paleolithic landscape archaeology in Epirus, Greece. M. A. Everett 9:20 29. Prehistoric Gallina ceramic resource selection and technology. C. I. Constan 9:40 30. Elemental interaction: Analyzing trade, sourcing, and the use of secondary products with Tiszapolgár ceramics on the Great Hungarian Plain. T. A. Parsons, H. Hoekman-Sites, S. Duwe 10:00 Intermission. 10:20 31. Modeling the potter from the clay: Using chemical, mineralogical, and physical characteristics of clay materials to gain insights into prehistoric behavior. T. E. McReynolds, S. A. Skaggs, P. A. Schroeder, J. M. Herbert 11:00 32. Correlation of physical properties for Aeginetan ware with compositional and chemical data from the clay source deposit. C. M. Shriner, B. J. Douglas, E. R. Elswick, J. G. Brophy, G. E. Christidis, H. H. Murray

8:20 40. Understanding the impacts of Katrina and Rita on gulf coast energy infrastructure. D. E. Dismukes 9:00 41. Hurricane Katrina and a legal and policy disaster. N. Stokes 9:20 42. Lessons learned: The Dow Chemical Company. D. Carville 9:40 43. Immediate and long-term environmental impacts of Hurricane Katrina. D. D. Reible, N. Ashley, J. Birdwell, L. Thibodeaux, K. T. Valsaraj 10:00 Intermission. 10:20 44. Quantities of arsenic-treated wood in demolition debris generated by Hurricane Katrina. B. Dubey, T. Townsend, H. Solo-Gabriele 10:40 45. Organic contaminants in Hurricane Katrina flood sediments: Identification using comprehensive 2-D gas chromatography/time-of-flight mass spectrometry. R. P. Eganhouse, J. Pontolillo 11:00 46. An analysis of the dissolved organic matter in Hurricane Katrina flood water from New Orleans. J. Birdwell, C. Lattao, H. M. Marwani, R. L. Cook, G. R. Aiken, K. Thorn, E. M. Perdue, J-F. Koprivnjak 11:20 47. Long-term monitoring of Mississippi Sound sediment heavy metal concentrations post-Katrina. S. E. O’Reilly

Section B

MONDAY AFTERNOON


Section A

Advanced Approaches to Investigating Adsorption at the Solid-Water Interface Adsorption at Oxide-Water Interfaces Cosponsored by The Clay Minerals Society

L. J. Criscenti, H. Allen, and L. E. Katz, Organizers 8:20 33. Factors controlling the reactivity of metal oxide surfaces. G. E. Brown Jr., T. P. Trainor, P. Eng, A. M. Chaka, T. Kendelewicz, S. Yamamoto, H. Bluhm, J. Ha, A. Gélabert, Y. Wang, A. Nilsson 9:00 34. Structural investigation of Fe(II) adsorption on {alpha}-Fe2O3 (1-102) and (0001) using crystal truncation rod diffraction. K. Tanwar, S. C. Petitto, S. K. Ghose, P. Eng, T. P. Trainor 9:20 35. Ion adsorption on oxides, a molecular based thermodynamic model. W. H. van Riemsdijk, T. Hiemstra 10:00 Intermission. 10:20 36. Real-time surface-chemistry of arsenite oxidation by hydrous manganese oxide: Impact of oxyanions. M. Ginder-Vogel, S. J. Parikh, J. S. Fischel, D. L. Sparks 10:40 37. Density functional theory calculations combined with X-ray standing wave, EXAFS, neutron scattering, and NMR to examine the solid-water interface. J. D. Kubicki, J. O. Sofo, A. V. Bandura, K. T. Mueller, N. M. Washton 11:20 38. Dissolution kinetics of single particles of nanosize Ferrihydrite using AFM as an analytical tool. S. Debnath 11:40 39. Molecular-investigation of silicate passivation of iron oxide surfaces. Y-S. Jun, G. A. Waychunas


Morial Convention Center Rm. 211 Archeological Clay Source Materials: Their Chemical, Mineralogical, and Physical Characteristics Cosponsored by The Clay Minerals Society

S. A. Skaggs and J. Wehby, Organizers 1:30 48. TTT diagrams in geoarchaeology: Unraveling archaeological problems using provenance and processing. G. E. Christidis, C. M. Shriner, H. H. Murray, J. G. Brophy 2:10 49. In situ characterization of clay minerals and their high temperature phases using infrared microspectroscopy: Implications in archaeology. F. Berna, P. Goldberg 2:50 50. Compositional analysis of construction mortar from Pompeii, Italy. J. Wehby 3:10 51. Characterization of prehistoric turquoise mines in the southwest United States. C. Hotujec

4:10 56. Investigations of metal uptake and speciation on nanoscale iron oxyhydroxide aggregates. C. S. Kim, C. J. Lentini, B. C. Reinsch, J. G. Dale, J. P. Stegemeier 4:30 57. Ion-pairing of alkaline earth metals with chloride and nitrate in aqueous solution and at the gibbsite surface: A molecular dynamics investigation. L. J. Criscenti, J. P. Larentzos

Section C Morial Convention Center Rm. 213 General GEOC Oral Session Coastal and Aquatic Transformations and Input

T. R. Filley and C. A. Johnson, Organizers 1:30 58. Aggregation of suspended particulate materials in Pearl River, Mississippi and implications for the microfabric of estuarine sediments. Y. Furukawa, J. Watkins 1:50 59. Biogeochemical pathways in marshes undergoing submergence: An experimental and theoretical perspective. A. S. Kolker, K. A. Butcher, M. S. Fox, L. A. Dyer, J. Q. Chambers 2:10 60. Comparison of lignin-phenols and branched/isoprenoid tetratethers (BIT index) as indices of terrestrial organic matter in surface sediments from the abyssal Gulf of Mexico and Fiordland, New Zealand. R. W. Smith, T. S. Bianchi, C. Savage, S. B. Peterson 2:30 61. Composition and flux of dissolved organic carbon from the Pearl River Mississippi. L. Guo, Y. Cai, X. Wang 3:10 Intermission. 3:30 62. Lignin phenols and organic carbon in sediments preserved on the Louisiana Continental Margin over the last 150 years: Linkage to land-use changes. T. P. Sampere, T. S. Bianchi, M. Allison 3:50 63. Seasonal processes affect the composition of dissolved organic carbon in an urban lake. M. M. Kelly, H. E. Hartnett 4:10 64. Geochemical dynamics in a column biostimulation experiment during the transition from iron to sulfate reduction. R. K. Kukkadapu, H. ElBishlawi, P. R. Jaffe, J. Komlos, P. E. Long, H. S. Moon, K. H. Williams 4:30 65. Studying the sorption of Fe(II) on goethite using a 57Fe-isotope tracer approach. R. M. Handler, B. L. Beard, C. M. Johnson, M. M. Scherer Chemical Evolution from Origins of Life to Modern Society Origins and Evolution Sponsored by CHED, Cosponsored by ENVR, GEOC, and ORGN

MONDAY EVENING Section A Morial Convention Center Hall A

Section B

Sci-Mix GEOC-CMS Cosponsored by The Clay Minerals Society


T. Filley and B. S. Ross, Organizers

Advanced Approaches to Investigating Adsorption at the Solid-Water Interface Ion Pairing Cosponsored by The Clay Minerals Society

L. J. Criscenti, H. Allen, and L. E. Katz, Organizers 1:30 52. Ions in water: Interfacial effects and ion pairing preferences. K. D. Collins 2:10 53. Nitrate ions and ion pairing in aqueous solution and at the air-aqueous interface. M. Xu, J. P. Larentzos, L. J. Criscenti, H. C. Allen 2:50 54. Temperature effects on adsorbed alkaline-earth-metal coordination structure on gibbsite. L. E. Katz, L. J. Criscenti, C-C. Chen, J. P. Larentzos 3:10 Intermission. 3:30 55. Dielectric spectroscopy: A new old tool for studying ions in solution. G. Hefter, R. Buchner

8:00–10:00 63. See previous listings. 105, 152-153, 155-156, 160, 163, 165, 172, 181, 187, 212-213. See subsequent listings.

TUESDAY MORNING Section A Morial Convention Center Rm. 211 Clay Minerals and Biomolecules Cosponsored by The Clay Minerals Society

G. Ertem, Organizer 8:15 Introductory Remarks. 8:20 66. Comets, chondritic organic matter, and a possible clay mineral connection. G. D. Cody

TECH–67

TECHNICAL PROGRAM

GEOC 9:00 67. A self-perpetuating “catalyst” for the production of complex organic molecules in protostellar nebulae. J. A. Nuth, N. M. Johnson, S. Manning 9:20 68. Meteoritic amino acids as tracers of solar and pre-solar syntheses. S. Pizzarello 10:00 Intermission. 10:20 69. Mechanisms of biomarker preservation and extraction from Mars-Analog mineral matrixes. X. Amashukeli, S. Douglas, A. M. Fisher, F. J. Grunthaner 11:00 70. Organics-bearing phyllosilicates in hematite-rich deposits (Rio Tinto, Spain): Novel model analog for phyllosilicates outcrops on Mars. R. Bonaccorsi 11:20 71. GALDI-FTMS as a technique for detecting bioorganic signatures associated with minerals. J. R. Scott, J. M. Kotler, C. D. Richardson, N. W. Hinman, T. R. McJunkin

Section B Morial Convention Center Rm. 212 Advanced Approaches to Investigating Adsorption at the Solid-Water Interface Water Structure at Solid Surfaces Cosponsored by The Clay Minerals Society

L. J. Criscenti, H. Allen, and L. E. Katz, Organizers 8:20 72. Minerals as molecules—isotopeexchange kinetics in nanometer-size ions. W. H. Casey 9:00 73. Ab initio molecular dynamics calculation of the deprotonation free energy at the silica-water interface. K. Leung, I. M. B. Nielsen, L. J. Criscenti 9:20 74. Dissociative chemisorption of water onto silica surfaces and enhanced hydronium ion formation. S. H. Garofalini 10:00 Intermission. 10:20 75. The intrinsic electric double layer on goethite and quartz. M. C. F. Wander, L. J. Criscenti, A. Clark 10:40 76. Water structure on aqueous ions and barite-water interfaces. A. G. Stack 11:20 77. Sum-frequency spectroscopy of small molecule adsorption at fluorocarbon monolayer/water interfaces. A. Hopkins, G. L. Richmond 11:40 78. Unraveling the acid-base chemistry of gibbsite. B. R. Bickmore, S. C. MItchell, K. M. Rosso

Section C Morial Convention Center Rm. 213 Methods for Studying Optical and Electrochemical Properties of In Situ Thin Films Cosponsored by The Clay Minerals Society

A. Fitch, Organizer 8:40 79. Applications of electrochemical scanning tunneling microscopy to adsorption and thin films in geochemical systems. A. G. Stack 9:20 80. Electrochemical quartz crystal microbalance study of mass changes at electrodes modified with cationic and anionic clays. G. Villemure, R. Roto, L. Sun 10:00 Intermission. 10:40 81. Electrogenerated silica thin films on electrodes: Functionalization, mesostructuration and sensor application. A. Walcarius 11:20 82. Use of electroactive planar waveguides for the examination of thin clay film properties. A. Fitch Chemical Evolution from Origins of Life to Modern Society Chemistry Deciphers Evolution and Probes Nature Sponsored by CHED, Cosponsored by ENVR, GEOC, and ORGN


68–TECH

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 211 Clay Minerals and Biomolecules Cosponsored by The Clay Minerals Society

3:10 Intermission. 3:50 99. Ultrastrong materials from clay minerals by layer-by-layer assembly. N. A. Kotov, P. Podsiadlo, B. S. Shim, E. M. Arruda, A. M. Waas 4:30 100. Examining the nanoscale structure of active sites on clay surfaces. C. T. Johnston, R. H. A. Ras, B. J. Teppen, S. A. Boyd, R. A. Schoonheydt

G. Ertem, Organizer 1:25 Introductory Remarks. 1:30 83. Serpentinization, hydrocarbons and life: Insights from Lost City (Mid-Atlantic Ridge). G. L. Früh-Green, S. M. Bernasconi, G. Proskurowski, W. J. Brazelton, D. S. Kelley 2:10 84. Synthetic smectic clays as adsorbents for biologically and environmentally significant molecules. S. Xue, T. J. Pinnavaia 2:30 85. Bioelectric effects on mineral surfaces. T. A. Kendall 2:50 86. Peroxy in minerals and their role in the formation of clays. F. T. Freund 3:10 Intermission. 3:30 87. Clay mineral control on vascular plant biomarker compositions. A. C. Robinson, P. J. Hernes, I. P. Montanez 3:50 88. Mono- and multilayer films of proteins and clay minerals. R. Schoonheydt 4:10 89. Testing binding of computationally designed peptides to aluminum and comparative metals. K. M. Elkins, S. B. Culver, R. E. Bongini

Section B Morial Convention Center Rm. 212 Advanced Approaches to Investigating Adsorption at the Solid-Water Interface Beyond Oxides Cosponsored by The Clay Minerals Society

L. J. Criscenti, H. Allen, and L. E. Katz, Organizers 1:30 90. Metal and radionuclide adsorption onto bacterial cell walls: Constraints from multidisciplinary studies. J. B. Fein, K. M. Kemner, B. A. Bunker, R. T. Cygan, M. Jensen 2:10 91. Electrokinetic properties of biopolymers and Shewanella spp. cells, and their effects on clay-bacteria-biopolymer aggregation. J. R. Dale, Y. Furukawa 2:30 92. Sorption of As(III), Cd(II), and Hg(II) by nanoparticulate iron sulfide: Uptake mechanisms and modeling. K. F. Hayes, T. J. Gallegos, S. P. Hyun, H. Y. Jeong 3:10 Intermission. 3:30 93. Molecular architecture of organic acids and lipids on kaolinite and alumina. M. J. Kelley, J. E. Thomas 3:50 94. Modeling amino-acid adsorption on calcite. D. Mkhonto, N. Sahai 4:30 95. Characterizing and designing polycation-montmorillonite composites. A. Radian, D. Zadaka, R. Ganigar, Y. G. Mishael 4:50 96. Spectroscopic study of dibenzo-pdioxin sorption on clay minerals. K. Rana, C. Liu, B. J. Teppen, S. A. Boyd, C. T. Johnston

Section C Morial Convention Center Rm. 213 Methods for Studying Optical and Electrochemical Properties of In Situ Thin Films Cosponsored by The Clay Minerals Society

A. Fitch, Organizer 1:50 97. In situ diffuse reflectance spectroscopy coupled with ex situ temperature and polarization methods for the study of redox processes in iron-bearing clays. R. B. Merola, S. R. Bylen, M. M. McGuire 2:30 98. Multifunctionality of clay-based thin films prepared via layer-by-layer assembly. J. C. Grunlan

Chemical Evolution from Origins of Life to Modern Society Evolutionary Ideas and Applications Sponsored by CHED, Cosponsored by ENVR, GEOC, and ORGN

WEDNESDAY MORNING

11:20 112. Arsenic mobilization in the critical zone: Oxidation by hydrous manganese oxide. J. S. Fischel, M. Ginder-Vogel, D. L. Sparks 11:40 113. Surface complexation modeling of radionuclide sorption in the saturated zone of Yucca Mountain rocks. M. Ding, S. Kelkar, J. T. Fabryka-Martin, F. A. Caporuscio, A. Meijer

Section C Morial Convention Center Rm. 213 General Session on Clays and Clay Minerals; CMS Clay Gumbo Physical Properties & Clay Mineral Transformations Cosponsored by The Clay Minerals Society

Section A B. S. Ross, Organizer Morial Convention Center Rm. 211 Clay Minerals and Biomolecules Cosponsored by The Clay Minerals Society

G. Ertem, Organizer 8:35 Introductory Remarks. 8:40 101. An RNA world scenario for the origin of life: Montmorillonite clay-catalyzed formation of RNA oligomers and their binding to nucleotides and amino acids. J. P. Ferris, P. C. Joshi, M. F. Aldersley, J. W. Delano 9:20 102. Assembly of organic protomolecules in the seemingly forbidding matrix of magmatic minerals. F. Freund, J. Mellon, R. Malhotra 9:40 103. Surface speciation of aspartic and glutamic acid on titanium dioxide in electrolyte solutions: Integration of spectroscopic and surface complexation results. C. M. Jonsson, C. L. Jonsson, D. A. Sverjensky, H. J. Cleaves, R. M. Hazen 10:00 Intermission. 10:20 104. Multiple surface species of glutamate attached to hydrous ferric oxide: Changes as a function of environmental parameters. D. A. Sverjensky, C. M. Jonsson, C. L. Jonsson, H. J. Cleaves, R. M. Hazen 10:40 105. Abiotic formation of RNA-like oligomers by montmorillonite catalysis: A model study. R. M. Hazen, A. M. Snellinger-O’Brien, M. C. Ertem, M. V. Johnston, J. P. Dworkin, G. Ertem

8:20 114. Kaolin in tropical soils on diverse parent materials. W. Wiriaykitnateekul 8:40 115. Al-substituted iron oxides in bauxite: Conditions for Al release into Bayer liquor. N. Zwingmann, A. Jones, S. Dye, P. Swash, R. J. Gilkes 9:00 116. Interaction of bentonite and iron(0) in aqueous suspension. J. W. Stucki, A. S. Anastácio, P. Sellin 9:20 117. Water behavior in K-exchanged smectite and comparison to R3-ordered illite/smectite. S. J. Chipera, D. L. Bish, J. A. Kieschnick, L. Alcantar-Lopez, J. W. Carey 9:40 118. Demonstration of the potential of chemical reaction to selectively extract potassium, atmospheric argon, and radiogenic argon from different clay sites. J. M. Wampler, S. Shata 10:00 Intermission. 10:20 119. Effect of pressure under hydrous and anhydrous conditions on the rheological properties of kaolin. P. Aparicio, D. L. Bish, H. H. Murray, E. Galán 10:40 120. Nanoindentation on clays. A. Pal-Bathija, M. Prasad 11:00 121. Comparative analysis of methods for determining exchangeable cations. L. B. Thompson, R. E. Ferrell Jr. 11:20 122. Proposal of a fast new CEC method for the determination of correct exchangeable calcium cations in calcareous clays and soils. R. Dohrmann, S. Kaufhold


Section B



Speciation of Arsenic and Other Trace Elements in Soils and Sediments Cosponsored by The Clay Minerals Society and ENGENV

Advanced Approaches to Investigating Adsorption at the Solid-Water Interface Modeling Adsorption in the Field Cosponsored by The Clay Minerals Society

L. J. Criscenti, H. Allen, and L. E. Katz, Organizers 8:20 106. Copper and cobalt adsorption on assemblages of kaolinite, silica and hydrous ferric oxide. C. M. Koretsky, C. J. Landry, T. J. Lund 9:00 107. Cadmium adsorption on mixed mineral assemblages of kaolinite, silica and hydrous ferric oxide. M. S. Schaller, C. M. Koretsky 9:20 108. Macroscopic, microscopic and spectroscopic investigation of soil minerals hosting uranium in contaminated sediments from Rifle, CO. N. P. Qafoku, R. K. Kukkadapu, J. P. Icenhower, S. Yabusaki, C. Resch, B. W. Arey, P. E. Long 9:40 109. Trace metal contamination in a sand and gravel aquifer (Cascade, Michigan). T. W. Whitlock, C. M. Koretsky 10:00 Intermission. 10:20 110. Uranium surface species on BX tank farm sediments at the Hanford site. W. Um, C. F. Brown, R. J. Serne, Z. Wang, C. J. Dodge, A. J. Francis 10:40 111. Surface complexation modeling of metal ion adsorption to iron oxides. L. E. Katz, S. N. Stokes, C-C. Chen

R. J. Donahoe and D. Sarkar, Organizers 1:25 Introductory Remarks. 1:30 123. Arsenic speciation analysis and its importance in understanding arsenic biogeochemistry. Y. Cai, G. Liu 2:10 124. Field evaluation of arsenic transport across the groundwater/surface water interface: Groundwater discharge and iron oxide precipitation. R. G. Ford, K. G. Scheckel, S. Acree, R. Ross, B. Lien, P. Clark, B. Scroggins 2:30 125. Field evaluation of arsenic transport across the groundwater/surface water interface: Speciation in sediment material. K. G. Scheckel, R. G. Ford, A. G. B. Williams, T. P. Luxton, P. Clark, B. Scroggins


GEOC 2:50 126. AFM study of reductive dissolution of Manganese oxide in the presence of arsenite: Evidence of precipitate on mineral surface. S. Debnath 3:10 Intermission. 3:30 127. Speciation related micronutrient limitation by Co and Cu in fresh water. G. Benoit 4:10 128. Iron, sulfur, and arsenic dynamics during sulfidization of arsenic-doped iron (oxy)hydroxides. A. N. Quicksall, B. C. Bostick, J. D. Landis 4:30 129. Arsenic and antimony speciation in water and bottom sediments associated with geothermal waste fluids: Dachny geothermal field, Kamchatka, Russia. A. G. Ilgen, S. Mueller, M. Newville, T. P. Trainor 4:50 130. Role of lead speciation in soil and plant in phytoremediation of contaminated soils using vetiver grass. R. Datta, D. Sarkar, S. S. Andra, S. Bach

Section B Morial Convention Center Rm. 212 Reactions on Clay Surfaces Cosponsored by The Clay Minerals Society

S. L. Brantley, J. D. Kubicki, and G. M. Bowers, Organizers 1:30 131. In situ observations of silicatewater interface reactivity. P. Fenter, C. Park, V. Kohli, K. L. Nagy, N. C. Sturchio 2:10 132. Differences in adsorption mechanisms for Rb+ and Sr2+ at the mica-water interface identified by adsorption isotherms measured with resonant anomalous X-ray reflectivity. C. Park, P. Fenter, N. C. Sturchio, K. L. Nagy 2:30 133. Assessing factors determining the reactivity of octahedral Fe(II) in smectites using organic probe compounds and infrared spectroscopy. A. Neumann, T. B. Hofstetter, S. Petit, M. Skarpeli-Liati, M. Lüssi, R. P. Schwarzenbach 2:50 134. Molecular-scale binding and dynamics of ions and H2O at the surfaces of hectorite: Sorption/desorption monitored with solid-state NMR. G. M. Bowers, H. Yuan, D. L. Bish, R. J. Kirkpatrick 3:10 Intermission. 3:30 135. NMR study of the self-diffusion of water in concentrated clay suspensions: Effects of salinity and clay fraction. X. Guichet, M. Fleury, E. Kohler 3:50 136. Investigating reactive surface sites on clays using solid-state NMR and computational chemistry. K. T. Mueller, R. L. Sanders, N. M. Washton, J. D. Kubicki 4:10 137. Molecular simulations of hydroxyl behavior in clay minerals. J. A. Greathouse, J. S. Durkin, R. T. Cygan 4:30 138. Chemical weathering of clay-rich shales in the Shale Hills catchment (Central Pennsylvania, USA). L. Jin, R. Ravella, B. Ketchum, S. L. Brantley

Section C Morial Convention Center Rm. 213 General Session on Clays and Clay Minerals; CMS Clay Gumbo Cosponsored by The Clay Minerals Society

B. S. Ross, Organizer 1:30 139. Hydrothermal preparation of well ordered hexagonal particles of synthetic cobalt smectite type clay minerals. G. Villemure, J. Crouse, M. Correia, L. Sun


1:50 140. Diversity of natural nanoparticles in soils and causative factors implied. J. B. Dixon 2:10 141. Withdrawn. 2:30 142. Use of mixed phases for the preparation of high active ingredient content clay-herbicide formulations. G. Rytwo, S. Afuta, Y. Gonen, A. Mendelovich, R. Ganigar 2:50 143. Separation of enantiomers utilizing tailored clay materials. A. S. Frantzen, M. R. Harris 3:10 Intermission. 3:30 144. Mineralogical reaction paths in geological units during storage of CO2 : Example of the natural analog of the Moab region, Utah. B. Blanchet, T. Parra, M. Jullien 3:50 145. K-bentonites: Issues in identifying and interpreting ancient tephras. W. D. Huff 4:10 146. Micron-scale chemical speciation toward understanding the unusual fossil preservation and biomineralization pathways in Tlayúa, Mexico. J. Cervini-Silva, S. C. Fakra, M. A. Marcus, H. Cornejo-Garrido, Z. Hao, J. Alvarado-Ortega, N. Tamura, L. Espinosa-Arruberena 4:30 147. Submicron-chemical speciation of late albian, well-preserved bone fossil samples from Tlayúa, the Mexican Solenhofen. J. Cervini-Silva, M. A. Marcus, S. Fakra, J. Alvarado-Ortega, L. Espinosa-Arruberena

WEDNESDAY EVENING Section A Morial Convention Center Hall A General Geochemistry and Clay Minerals Society Poster Session Cosponsored by The Clay Minerals Society and ENVR

T. R. Filley and B. S. Ross, Organizers 6:00–8:00 148. On the application of clays as nanoporous nanomaterials for the development of new technologies for water treatment for human consumption in marginal zones in the Mixteca Poblana, México. D. Kibanova, E. Bandala, B. Corona Vazquez, M. A. Mendez, M. A. Quiroz, J. Cervini-Silva 149. Siderophores catalyze the oxidation of commercial Pb to nanosized lead (hydr)oxides stable in water. H. Cornejo-Garrido, J. Cervini-Silva, B. Gilbert, P. Fernández-Lomelín, J. Guzman, M. Trejo, Z. Hao 150. Sorption of basic amino acids on expandable clay surfaces. J. Lok, G. S. Premachandra, C. T. Johnston 151. Surface complexation modeling of dicarboxylic acids at the hematite/water interfaces. Y. S. Hwang, J. J. Lenhart 152. Reduction of structural Fe(III) in nontronite by starved Shewanella Putrefaciens. S. Ji, H. Dong 153. Interaction of proteins with clay surfaces: A structural and spectroscopic study of the lysozyme-saponite complex. G. S. Premachandra, T. Szabo, R. A. Schoonheydt, C. T. Johnston 154. Gis based on spatial distribution of BTEX concentration in the vadose zone. J. Y. Lee, M. Han, J. Choi, J-S. Yang 155. Functional hybrid materials obtained by intercalation of phytochemicals from açaí fruit into clay minerals. V. R-L. Constantino, A. A. Teixeira-Neto, A. M-C. Ferreira, C. M-S. Izumi, M. L-A. Temperini 156. Exploring the high mass components of humic acid by LDI MS. G. Chilom, J. A. Rice 157. Calculations of carbon-isotope fractionation in CO2(g), aqueous carbonate species, and carbonate minerals. V. E. Jackson, J. R. Rustad, S. L. Nelmes, D. A. Dixon 158. Adsorption of iodine on montmorillonites modified with cationic organic compounds. J. Yoon, A. Gélabert, J. Ha, G. E. Brown Jr., J-Y. Hwang

159. Arsenic and antimony interactions with kaolinite, montmorillonite and nontronite clays. A. G. Ilgen, M. Newville, T. P. Trainor 160. Accessibility of different soil organic matter pools to microbial communities: A laboratory soil respiration study. C. A. Johnson, T. R. Filley 161. Comparative analysis of the adsorption of arsenic (III) and (V) species onto calcite. C. A. Johnson 162. In situ ATR-FTIR, diffuse reflectance FTIR and sorption study of glyphosate to goethite. E. C. Johnson, C. T. Johnston 163. Assessing the physicochemical properties of antibacterial clay minerals. T. M. Borchardt, S. Haydel 164. Deeper insight to mercury bioaccumulation in the bat population in Kentucky and Tennessee. L. Clark, E. Whitehouse, C. J. Webb 165. Tracing the long and short-term effects of Katrina on the composition of organic carbon of sediments in Mississippi Sound (USA): Application of plant pigment and lignins as chemical biomarkers. A. Chatterjee, T. S. Bianchi, Y. Furukawa 166. Influence of different preparation method on performance and structure of organic modified montmorillonite adsorbent. N. Li, J. Huang, C. Cui 167. Chemical characterization of glaucony within a sequence stratigraphic framework: Braggs K-T boundary locality, Lowndes County, Alabama. D. E. Bulger 168. Study on removal of phosphate by using an enhanced membrane bioreactor with external recycle anaerobic process. L. Zhang, X. Cheng, D. Sun 169. Withdrawn. 170. Competitive adsorption of fe and mn using treatment agents for acid mine drainage. J. Choi, J-S. Yang, J-Y. Lee, D. Kwon, J. Ham 171. Determination of gallium in coal gangue by Victoria Pure Blue BO spectrophotometry. X. Chen, W. Shi, S. Chen, W. Song, Y. Yu, X. Zhong, Y. Wang 172. Determination of the ideal ionic strength condition as the aggregation method on the uptake and retention of zinc(II) and copper(II) onto iron oxyhydroxide nanoparticles. J. P. Stegemeier, J. G. Dale, C. S. Kim 173. Electron donor effects on Fe(II)-bearing secondary mineral formation resulting from the bioreduction of lepidocrocite. E. J. O’Loughlin, C. A. Gorski, R. E. Cook, M. M. Scherer 174. Factors influencing ferrihydrite crystallinity in natural and synthetic systems. R. G. Ford, F. M. Michel, J. Thompson 175. Nanoindentation behavior and related mechanical properties of clay minerals. G. Zhang, Z. Wei, R. E. Ferrell 176. A macroscopic and spectroscopic investigation of Cr(VI) sorption and desorption during transport through sediments under slightly alkaline and oxic conditions. N. P. Qafoku, P. E. Dresel, C. C. Ainsworth, S. V. Mattigod, J. P. McKinley, S. M. Heald, J. L. Phillips, J. S. Fruchter 177. Feasibility of arsenic-75 NMR for studying arsenic oxyanion structure and dynamics at clay surfaces. G. M. Bowers, R. J. Kirkpatrick 178. A novel pervious cement reaction barrier (PCRB) in situ arsenic-remediation system. M. L. Jones, C. Webb 179. Mineralogic control of cesium uptake in soils at the Savannah River site. W. C. Ellliott, M. Tajiri, J. M. Wampler, R. L. Rosson, B. Kahn, S. M. Serkiz 180. Characterization of natural and synthetic floating, mixed valent Fe-film (Schwimmeisen). Z. N. Gray, G. H. Grathoff, R. B. Perkins 181. Reaction of U(VI) with anionic clay minerals. D. E. Latta, E. J. O’Loughlin, K. M. Kemner, M. I. Boyanov, M. M. Scherer 182. Characterization of nonequilibrium distribution in RF plasma discharges. N. P. Fernandez-Oropeza, A. Hsu

183. Site selection of cesium in cancrinites formed in high-alkaline solutions. Y. Deng, J. B. Harsh, M. Flury 184. Sorption of toxic metals to montmorillonite. A. D. Burum, K-A. Kubatko 185. Withdrawn. 186. Steric considerations in the combustion of organo-clays. J. N. Perrin, A. S. Frantzen 187. Study of uptake and retention of Cu(II) and Zn(II) by iron oxyhydroxides under varying pH conditions. J. G. Dale, J. P. Stegemeier, C. S. Kim 188. Summary and findings of the radon daughter monitoring program at Mammoth Cave National Park from 1976 to 2007. B. E. Peyton, B. C. Carson 189. Theoretical study of the adsorption of trimethyl phosphate on calcium oxide. Y. Paukku, A. Michalkova, J. Leszczynski 190. Thermodynamic studies of standard montmorillonite clays. K. M. Baugh, A. S. Frantzen 191. Upgrade of HLRW bentonite with respect to iodide adsorption. S. Kaufhold, M. Pohlmann-Lorz, R. Dohrmann 192. The speciation and bioavailability of arsenic through leaching and in vitro studies of mine wastes. E. M. Sugihara, S. R. Miller, C. S. Kim

THURSDAY MORNING Section A Morial Convention Center Rm. 211 Speciation of Arsenic and Other Trace Elements in Soils and Sediments Cosponsored by The Clay Minerals Society and ENGENV

R. J. Donahoe and D. Sarkar, Organizers 8:35 Introductory Remarks. 8:40 193. Chemistry of trace and toxic elements in wetland vs. upland environments affecting mobility and biological availability. R. P. Gambrell 9:20 194. Naturally elevated arsenic- and selenium-bearing soils in the southeastern U.S. Piedmont. P. A. Schroeder 9:40 195. Complexation of arsenite with dissolved organic matter in the absence and presence of natural sand. G. Liu, A. Fernandez, Y. Cai 10:00 Intermission. 10:20 196. Biogeochemical processes and the dynamics of trace metals in sediments. D. D. Reible, Y. Hong, N. W. Johnson, L. E. Katz, K. Kinney 11:00 197. Arsenic speciation in semiarid soils contaminated from lead smelting activities. M. Gutiérrez-Ruíz, F. Romero, M. Villalobos, A. Ceniceros 11:20 198. Experimental simulation of soil contamination by arsenolite. Z. Yue, R. J. Donahoe

Section B Morial Convention Center Rm. 212 Reactions on Clay Surfaces Cosponsored by The Clay Minerals Society

S. L. Brantley, J. D. Kubicki, and G. M. Bowers, Organizers 8:20 199. Molecular simulations of reactions on clay surfaces. R. T. Cygan 9:00 200. Molecular modeling of amino acid interactions with montmorillonite interlayer surfaces. L. Tribe, A. J. Rennig, A. K. Slutter, A. M. Davis, G. Joanis 9:20 201. Quantum mechanical study of adsorption and reactivity of organic free radicals on silicate surfaces of aerosol particles. C. Sainz-Díaz, C. Iuga, A. Vivier-Bunge, A. Hernández-Laguna 9:40 202. Role of a biopolymer in montmorillonite flocculation: Transmission electron microscopy (TEM) observation. J. Kim, Y. Furukawa, K. J. Curry, R. Bennett 10:00 Intermission. 10:20 203. Treatment of perchlorate-contaminated water using surfactant-modified clay. M. E. Cary, V. A. Nzengung

TECH–69

TECHNICAL PROGRAM

GEOC/HIST/I&EC 10:40 204. Synthesis of clay-TiO2 nanocomposites with photocatalytic activity for the degradation of air pollutants. D. Kibanova, M. Trejo, H. Destaillats, J. Cervini-Silva 11:00 205. Using steam-treated smectites to probe intrinsic controls on the colloidal behavior of gel-forming smectite. L. Zhu, D. L. Bish, G. M. Bowers 11:20 206. Withdrawn.

4:50 222. Formation of Zn-Ca phyllomanganate nanoparticles in grass roots. B. Lanson, M. M. Marcus, S. C. Fakra, F. Panfili, N. Geoffroy, A. Manceau

Section C

Reactions on Clay Surfaces Cosponsored by The Clay Minerals Society

Morial Convention Center Rm. 213 General GEOC Oral Session

T. R. Filley and C. A. Johnson, Organizers 8:20 207. Macrofauna soil turnover rates, depths and transport coefficients. L. Thibodeaux 8:40 208. Macroinvertebrate controls on the transformation of plant derived organic matter in litter and soil. T. R. Filley, K. Szlavecz 9:00 209. Role of macroinvertebrates in cycling phosphorus in surface sediments of Upper Klamath Lake, OR, USA. N. S. Simon 9:20 210. Plant-clay mineral interactions through earthworm activities: A perspective on influences of microbial activities on mineral alteration and some aspects of river water chemistry. S. Chaudhuri, N. Clauer 9:40 211. Earthworm biodiffusion control in soil uptake of PCBs from the atmosphere. L. Thibodeaux 10:00 Intermission. 10:20 212. Geochemical cycling of nitrogen on Titan. S. H. Abbas 10:40 213. Assembly of organic protomolecules in the seemingly forbidding matrix of magmatic minerals. F. T. Freund, J. Mellon, R. Malhotra 11:00 214. Formation of hydrogen peroxide at the rock-water interface. M. Bose, M. Balk, G. Ertem, D. A. Rogoff, L. J. Rothschild, F. Freund


S. L. Brantley, J. D. Kubicki, and G. M. Bowers, Organizers 1:30 223. Effect of dry milling on the structure and thermal stability of a commercial organoclay. F. Clegg, C. Breen, S. Bannister 1:50 224. Influence of clay host on the thermal stability of model organoclays and their commercial counterparts. C. Breen, F. Clegg, S. Bannister 2:10 225. Development of a composite surface complexation model describing plutonium sorption to smectite. B. A. Powell, A. B. Kersting, M. Zavarin, P. Zhao 2:30 226. Examination of the effects of ionic strength and pH on neptunium(V) and plutonium(V) sorption to montmorillonite. M. Zavarin, M. Bourbin, A. B. Kersting, B. A. Powell, P. Zhao 2:50 227. F/Al double resonance NMR to probe variable-charge clay surfaces. S. G. Cochiara, B. L. Phillips 3:10 Intermission. 3:30 228. Nanohybrid materials from kaolinite: Interlayer grafting and intercalation of ionic liquids and polymers. C. Detellier, S. Letaief, T. Elbokl, I. K. Tonle, T. Diaco, S. Gorelski 3:50 229. Nanostructured materials from the intercalation of insect pheromones in sepiolite. S. Letaief, J-M. Frechette, B. Hubbard, C. Detellier

10:45 4. French winners of the Nobel Prize in Chemistry from 1901-1935. K. Kostecka 11:15 5. Winstein’s 1957 Baker Lectures: Physical organic text that never was. H. Goldwhite

SUNDAY AFTERNOON Section A Marriott Convention Center Fulton

Section A Morial Convention Center Rm. 211 Speciation of Arsenic and Other Trace Elements in Soils and Sediments Cosponsored by The Clay Minerals Society and ENGENV

R. J. Donahoe and D. Sarkar, Organizers 1:25 Introductory Remarks. 1:30 215. Immobilization of soil arsenic using water treatment residuals: Potential to develop into a cost-effective remediation method? D. Sarkar, R. Datta, K. Makris, R. Nagar, S. Quazi 2:10 216. Biological methylation of inorganic arsenic in the presence of smectite clay minerals. J. Hernandez-Pineda, P. Fernández-Lomelín, J. Cervini-Silva 2:30 217. Aqueous arsenic speciation by nanospray and electrospray mass spectrometry. S. Bach, C. Mullens, D. Sarkar, K. Makris 2:50 218. Speciation of selenium associated with coal-combustion by-products using HPLC-ICP-MS. L. M. Horvath-Lohr, D. J. Vesper, R. L. Thompson, K. Schroeder 3:10 Intermission. 3:30 219. Challenges of determining the speciation of arsenic in contaminated soil. R. J. Donahoe 4:10 220. Remobilization of arsenic(III) sorbed by mackinawite (FeS) under oxic conditions. H. Y. Jeong, K. F. Hayes, S. W. Park, C. W. Kim 4:30 221. Flushing and mineralization of arsenic in contaminated soil: A potential remediation strategy for anoxic soil and groundwater. G. Neupane, R. J. Donahoe


70–TECH

HIST Division of The History of Chemistry J. S. Jeffers, Program Chair

BUSINESS MEETING: HIST Strategic Planning Meeting- No Programming: Mon

I&EC

Women Chemists in the National Inventors’ Hall of Fame: Telling Their Stories Cosponsored by CHED, TECH, WCC, and I&EC

Division of Industrial & Engineering Chemistry

M. V. Orna, Organizer, Presiding

M. A. Gonzalez, Program Chair

1:30 Introductory Remarks. 1:35 6. Elizabeth Lee Hazen and Rachel Fuller Brown: A remarkable collaboration in the discovery and purification of Nystatin. M. V. Orna 2:00 7. Gertrude Elion and the birth of rational drug design. M. Michalovic 2:25 8. Experiences of an industrial chemist. E. Flanigen 2:50 Intermission. 3:00 9. Serendipity, chemistry, and me. H. M. Free 3:25 10. Stephanie Louise Kwolek: “Guy” who invented Kevlar. J. M. Hayes, P. L. Perez 3:50 11. Chance favors the prepared mind: Unplanned experimental results can lead to products that enhance the quality of our lives. P. O. Sherman 4:15 12. Creativity and serendipity in the workplace. M. V. Orna, E. Flanigen, H. M. Free, P. O. Sherman 4:40 Concluding Remarks. Past, Present and Future of the Kilogram Sponsored by CINF, Cosponsored by HIST


THURSDAY AFTERNOON

2:30 19. Rotten reviews. D. Davenport 3:00 20. From the pens of thirsty chemists and the occasional cat: Chemists’ humor in publications. N. Foster 3:30 Intermission. 3:45 21. ACS history in personal political debates (both p and P). M. L. Good 4:15 22. A small cornucopia of miscellaneous whimsy. J. Stocker

Morial Convention Center Hall A Sci-Mix

J. S. Jeffers, Organizer 8:00–10:00 2. See previous listings.

TUESDAY MORNING Section A

OTHER SYMPOSIA OF INTEREST: Gabor A. Somorjai Award for Creative Research in Catalysis: Symposium in Honor of Avelino Corma Canos (see CATL, Mon, Tue) Recent Developments in Flavor Chemistry (see AGFD, Tue) Environmental Chemistry (see ANYL, Tue) ACS Award in Industrial Chemistry: Symposium in Honor of T.J. Wallington: Greenhouse Gases Sequestration: Technology and Economics (see BMGT, Mon) Cellulose Solvents (see CELL, Mon, Tue) Green Chemistry & Engineering: Equipping Scientists and Engineers to Achieve Sustainability (see CHED, Sun) Clean Energy, Fuels and Chemicals from Biomass (see FUEL, Mon, Tue, Wed, Thu) Green Chemistry for Sustainable Energy Supply and Conversion (see FUEL, Sun, Mon, Tue) Energy Science and Engineering: Methods, Outcome and Future Needs (see PETR, Wed) Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels (see PETR, Sun, Mon, Tue)

SUNDAY MORNING

Marriott Convention Center Fulton

Section A

A Festival of Chemistry Entertainments Cosponsored by Bolton Society

SOCIAL EVENT:

Marriott Convention Center Fulton

J. Stocker, Organizer, Presiding

BUSINESS MEETINGS:

General Papers

J. S. Jeffers, Organizer, Presiding 9:00 1. George K. Fraenkel: Pioneer of electron spin resonance. I. Bernal 9:30 2. Effects and perspectives of the chemistry of porcelain on the history of china. T. G. Barrera 10:00 3. Should chemistry undergraduates study engineering? Early 20th century debate. R. A. Egolf 10:30 Intermission.

9:00 Introductory remarks to set the mood. 9:10 13. Reese’s Pieces: “Best” of C&EN newscripts written by K. M. Reese. W. F. Carroll Jr. 9:40 14. Letters to C&EN’s Editor: The good, the bad, and the ugly. R. M. Baum 10:10 Intermission. 10:25 15. Are the versed scientific papers among the best? J. Bunnett 10:55 16. Intriguing records in CAS databases. J. E. Mears, R. J. Schenck 11:25 17. Curriculum witty: Chemistry in verse and song. H-Y. Shapiro

TUESDAY AFTERNOON Section A


Marriott Convention Center Fulton A Festival of Chemistry Entertainments Cosponsored by Bolton Society

J. Stocker, Organizer, Presiding 2:00 18. Always a cross(ed) word. M. V. Orna

Social Hour: Tue

Executive Council Meeting: Mon Programming Meeting: Mon

SUNDAY MORNING Section A Morial Convention Center Rm. 223 Alternative Resources for the Chemical Industry Cosponsored by AIChE Research and New Technologies (Area 18j) and ENGENV

S. Robinson, S. Kelley, and R. D. Srivastava, Organizers J. Zoeller and J. J. Spivey, Organizers, Presiding 8:30 Introductory Remarks. 8:35 1. Green catalysis with alternative feedstocks. G. J. Hutchings 9:00 2. New biofuels based on biobutanol: NAVY jet fuels and more. M. Wright, V. Homer, A. Guenthner, W. Hickle, B. Harvey

I&EC 9:25 3. Eastman Chemical Company’s chemicals from coal program: The first quarter century. J. R. Zoeller 9:50 4. Catalytic oxidative carbonylation of diamines to cyclic ureas. L. McElwee-White, A. K. Darko, S. Dumbris, F. C. Curran 10:15 5. By-product synergy: Dow Chemical’s successful experience. Q. Wu 10:40 6. Pyrolysis characteristics of pharmaceutical sewage sludge and brown coal. L. Zhang, C. Cui, J. Yin, L. Liu 11:05 7. Properties of partially biodegradable laminated LDPE–starch blend films. A. K. Jana, S. Garg, S. Singh 11:30 8. Corrosion inhibition studies of moringa oleifera lam extract on mild steel and copper in hydrochloric acid solution. S. O. Ajeigbe, E. C. Egwim, J. O. Okafor

Section B Morial Convention Center Rm. 231/232 NanoPower: Creating Energy for the Future Cosponsored by CHED, ENGENV, and PRES

K. Griffiths, S. Angelos, K. Chin, R. Kojima, C. M. Kolodziej, K. Patel, and B. Wang, Organizers 8:30 Introductory Remarks. 8:40 9. Nanocrystal based solar cells. A. P. Alivisatos 9:10 10. Metal–organic frameworks: Prospective industrial applications. U. Mueller 9:40 Intermission. 9:55 11. Artificial photosynthesis: Combining technology with biology for efficient solar energy conversion. T. A. Moore, A. L. Moore, D. Gust, M. Hambourger, G. F. Moore, A. Keirstead, M. Gervaldo 10:25 12. Inorganic nanowires for energy conversion. P. Yang 10:55 13. Self-assembled bulk heterojunction nanomaterials for low cost solar cells. A. J. Heeger Green Chemistry for Sustainable Energy Supply and Conversion Green Reagents and Processes Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 223 Environmental Applications of Nanoscale and Microscale Reactive Particles Cosponsored by ENGENV

C. L. Geiger and K. M. Carvalho, Organizers 1:30 14. Use of nanoscale zero-valent iron for groundwater remediation from theory to technical maturity. R. Baig, M. Borda, F. Gheorghiu 1:50 15. PBDE degradation with zero-valent bimetallic systems. K. Carvalho, L. Talalaj, R. DeVor 2:10 16. Reductive degradation of halogenated organics in groundwater with nanoscale zero-valent iron. T-T. Lim, B-W. Zhu, J. Feng 2:30 17. Electrokinetically enhanced removal and degradation of subsurface pollutants using nanosized Pd/Fe slurry. G. Yang 2:50 18. Small particle size magnesium in one-pot Grignard-Zerewitinoff reactions: Kinetics of and practical application to reductive dechlorination of persistent organic pollutants. V. Birke 3:10 19. A proposed mechanism for the radical dechlorination of PCBs using microscale MgPd in methanol. R. DeVor, P. Maloney, C. L. Geiger, C. A. Clausen, S. Elsheimer, K. Carvalho

3:30 20. Degradation of chlorinated organics from water by membrane–based nanosized metallic systems and by hydroxyl radical reaction. D. Bhattacharyya, J. Xu, L. Bachas, S. Datta, Y. Tee 3:50 21. Degradation of TATP, TNT, and RDX using mechanically alloyed metals. R. Fidler, C. L. Geiger, C. A. Clausen, M. E. Sigman 4:10 22. Environmental applications of nanocrystalline metal oxides. O. B. Koper 4:30 23. Application of nanoparticle technology for environmental cleanup at an industrial facility. M. Corbin, J. Wolters 4:50 24. NZVI treatability study for a TCE source area at Alameda Point, CA. G. V. Lowry, T. Phenrat, D. Schoenfelder, R. D. Tilton, T. Kirschling, M. Losi, J. Yi, S. Peck 5:10 25. Using nanomaterials in risk management of environmental pollutants: An overview of recent advancements. S. R. Al-Abed

Section B Morial Convention Center Rm. 231/232 NanoPower: Creating Energy for the Future Cosponsored by CHED, ENGENV, and PRES

K. Griffiths, S. Angelos, K. Chin, R. Kojima, C. M. Kolodziej, K. Patel, and B. Wang, Organizers 1:30 Panel Discussion. 2:30 26. Energy storage by water-splitting. D. G. Nocera 3:00 27. Architectural design, interior decoration, and 3-D plumbing en route to multifunctional nanoarchitectures—especially for energy storage and conversion. D. R. Rolison, J. W. Long, J. C. Lytle, A. E. Fischer, C. N. Chervin, K. A. Pettigrew, M. J. Geselbracht, M. P. Saunders 3:30 Intermission. 3:45 28. MOFs as molecular reservoirs for hydrogen, methane and carbon dioxide storage. O. M. Yaghi 4:15 29. Hydrogen from sunlight and water: The sustainable hydrogen economy. J. A. Turner 4:45 30. Electric power and hydrogen fuel generation from sunlight. M. Graetzel, K. Sivula 5:15 Concluding Remarks. Green Chemistry for Sustainable Energy Supply and Conversion Green Processing & Clean Fuels Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV Women Chemists in the National Inventors’ Hall of Fame: Telling Their Stories Sponsored by HIST, Cosponsored by CHED, TECH, WCC, and I&EC Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

MONDAY MORNING Section A Morial Convention Center Rm. 231

9:20 33. Predicting the thermodynamic properties of unusual chemicals. S. I. Sandler 9:45 34. Solvatochromism and antisolvent behavior in ionic liquid/organic/CO2 systems. B. R. Mellein, J. F. Brennecke 10:10 35. Ruben Carbonell at UC Davis: Reflections on connections. S. Whitaker 10:35 36. Adhesion of micron-/nanoscale particles to surfaces in microelectronics manufacturing. R. Jaiswal, G. Kumar, C. Kilroy, D. Balachandran, S. Beaudoin 11:00 37. Cellular-scale hydrodynamics. H. A. Stone

Section B Morial Convention Center Rm. 230 ACS Award for Team Innovation: Symposium in Honor of Scott R. Culler and Stanley Collins

S. R. Culler, Organizer 8:30 Introductory Remarks. 8:35 38. 3M’s legacy of innovation. W. Maurer 9:35 39. Award Address (ACS Award for Team Innovation, sponsored by ACS Corporation Associates). 3M™ Trizact™ structured abrasives—part I. S. Collins 10:20 Intermission. 10:30 40. Award Address (ACS Award for Team Innovation, sponsored by ACS Corporation Associates). 3M™ Trizact™ structured abrasives—part II. S. R. Culler 11:15 41. The next generation of 3M™Trizact™ structured abrasives. L. Moren 11:45 Concluding Remarks.

Section C Morial Convention Center Rm. 290 Industrial Applications of Microwave and Radio Frequency Processing Sponsored by AIChE Radio/Frequency Microwave Working Group, Cosponsored by I&EC‡

J. W. Cresko, M. A. Gonzalez, and R. F. Schiffman, Organizers 8:00 99012. Technology and emerging applications using low temperature plasmas. J. Barkanic 8:40 99013. ELSEWare © (Electromagnetic Laboratory Simulation Environment Software): Development of a new software package to simulate electromagnetic processes. B. Warren, E. Ripley 9:20 99014. Microwave drying of heat sensitive and difficult to dry materials. R. F. Schiffmann 10:00 99015. Radio frequency applications in industrial processes. B. Wilson 10:40 99016. Conventional and emerging MW/RF processing methods for polymers, plastics and composites. J. W. Cresko Green Chemistry for Sustainable Energy Supply and Conversion Clean Fuels Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

MONDAY AFTERNOON

Section A

Section A



Green Chemistry & Engineering Nanotechnology Sponsored by AIChE Environmental Division (Group 9), Cosponsored by I&EC‡ and ENGENV

Industrial and Engineering Chemistry Divisional Fellow Award Symposium—Dr. Ruben Carbonell

R. L. Smith and M. A. Gonzalez, Organizers K. Rindfusz, Presiding 8:00 Introductory Remarks. 8:05 99001. Nanotechnology and its applications to antimicrobials: Scientific and regulatory issues and concerns. A. N. Shamim1 8:30 99002. Synthesis and characterization of Fe doped TiO2 nanomaterials in scCO2. R. Lucky, P. A. Charpentier 8:55 99003. Proton–SO3− interactions in Nafion polymer electrolyte membrane fuel cells gleaned from ab initio molecular dynamics simulations of mono-, di-, and tetra-hydrate trifluoromethanesulfonic acids. R. L. Hayes, M. E. Tuckerman 9:20 Intermission. 9:35 99004. A one-pot route toward light selective quantum dot polymer nanofilms in scCO2. W. Z. Xu, P. A. Charpentier 10:00 99005. Fabricating colloidal crystals with different structures and nanostructures derived from them. Z. Sun, B. Yang 10:25 99006. Novel biopolymer/rectorite nanocomposite with antimicrobial activity. X. Wang, Y. Du

Industrial and Engineering Chemistry Divisional Fellow Award Symposium—Dr. Ruben Carbonell

P. K. Kilpatrick, Organizer 1:30 42. Engineered drug therapies enabled by fabrication processes from the electronics industry. J. DeSimone 1:55 43. High throughput synthesis and screening for protein adhesion during membrane filtration. M. Zhou, H. Liu, J. E. Kilduff, D. G. Anderson, R. Langer, G. Belfort 2:20 44. Design of pharmaceutical nanoparticles for enhanced therapeutics. K. P. Johnston, J. Engstrom, J. Tam, M. Matteucci, A. Mazuski, R. O. Williams 2:45 45. Investigation of chemical selective displacers using robotic high throughput screening, SPR, NMR and MD simulations. C. Morrison, S. McCallum, R. Godawat, J. Moore, S. Garde, S. Cramer 3:10 46. Properties of affinity membranes for h-IgG purification. C. Boi, S. Dimartino, R. G. Carbonell, G. C. Sarti 3:35 47. Reckoning protein physical stability in terms of tendency to self associate. T. Przybycien 4:00 48. The influence of diffusion on energy metabolism and cellular organization in skeletal muscle. B. R. Locke, S. Dasika, S. T. Kinsey, K. M. Hardy 4:25 49. Managing the risks from bloodassociated TSE infectivity with prion affinity ligands. R. Rohwer, L. Gregori, B. C. Lambert, R. G. Carbonell, P. V. Gurgel, D. Hammond, J. Lathrop, P. Edwardson, S. J. Burton

P. K. Kilpatrick and C. K. Hall, Organizers 8:30 31. Effect of sequence on protein stability: A numerical study using water-explicit lattice models. B. Patel, P. G. Debenedetti, F. H. Stillinger, P. J. Rossky 8:55 32. Direct numerical simulation of emulsion flow through porous media. R. H. Davis, A. Z. Zinchenko


Green Chemistry for Sustainable Energy Supply and Conversion Alternative Feedstocks Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

TECH–71

TECHNICAL PROGRAM

I&EC MONDAY EVENING

Section G

Section A


Morial Convention Center Hall A Sci-Mix

H. K. Jacobs, Organizer M. A. Gonzalez, Presiding 8:00–10:00 83-87, 89, 92. See subsequent listings.

TUESDAY MORNING Section A Morial Convention Center Rm. 231 Industrial and Engineering Chemistry Divisional Fellow Award Symposium—Dr. Ruben Carbonell

P. K. Kilpatrick, Organizer 8:30 50. Catalytic dechlorination of gasphase perchloroethylene under mixed redox conditions. A. E. Sáez, E. Rupp, R. G. Arnold, E. Betterton, S. Gao 8:55 51. Continuous polymerization in supercritical carbon dioxide. G. W. Roberts, T. Liu, T. S. Ahmed, J. DeSimone 9:20 52. Epoxidation of light olefins in olefinexpanded liquid phases. H-J. Lee, M. Ghanta, D. H. Busch, B. Subramanian 9:45 53. Filtered two-fluid models for fluidized gas-particle suspensions. Y. Igci, S. Sundaresan 10:10 54. Numerical simulation of aeratedliquid and supercritical injection of hydrocarbon fuels. J. Edwards 10:35 55. Photocatalysis: A retrospective view after three decades. D. F. Ollis 11:00 56. Using the tunable properties of gas expanded liquids to control nanoparticle deposition and separation processes. C. B. Roberts, S. R. Saunders, K. M. Hurst, W. R. Ashurst

Section B Morial Convention Center Rm. 230 ACS Award in Separations Science and Technology: Symposium in Honor of Allan S. Myerson

R. D. Rogers, Organizer 8:30 57. Nucleation kinetics in reactive precipitation. D. J. Kirwan, J. M. Gillian 9:00 58. Pathway leading from supersaturated solution to solid crystal studied by small angle X-ray scattering. D. Erdemir, A. S. Myerson 9:30 59. Understanding additive effects on crystallization, polymorphic transformation and solubility. S. Byrn, E. Lee 10:00 60. The two-step mechanism of nucleation of crystals from solution. P. G. Vekilov 10:30 Intermission. 10:50 61. Crystallization and polymorphism: Applied examples from the pharmaceutical industry. S. Devarakonda 11:20 62. Elusive polymorphs: How to prevent them from “disappearing”. A. Y. Lee 11:50 63. Laser induced nucleation of protein crystals. J. M. Evans, A. S. Myerson, D. Erdemir, I. Lee, A. Y. Lee, B. A. Garetz

Chemists and Chemical Engineers: A Powerful Team for Process Development Sponsored by AIChE Process Development Division (Group 12), Cosponsored by I&EC‡

J. B. Powell and O. Aboul-Nasr, Organizers 8:30 Introductory Remarks. 8:35 99047. Bridging the communication gap between engineers and chemists. O. Aboul-Nasr 9:00 99048. Green chemistry: Designing less hazardous chemical products and processes. R. E. Engler 9:25 99049. Perspectives on chemistry and chemical engineering in process development and support. P. R. Weider 9:50 99050. Preparing product cost assessments with limited data. J. E. Anderson 10:15 99051. Trace chemistry and manufacturing. J. H. Worstell 10:40 99052. Process modeling and design in pharmaceutical R&D. D. J. am Ende, J. Mustakis, T. J. Watson

Section A Morial Convention Center Rm. 350 Green Chemistry & Engineering Alternative Solvents and Bioapplications Sponsored by AIChE Environmental Division (Group 9), Cosponsored by I&EC‡ and ENGENV

R. L. Smith, Organizer M. A. Gonzalez, Organizer, Presiding 8:30 Introductory Remarks. 8:35 99059. Green chemistry considerations in the design of ionic liquids. R. E. Engler, J. V. Nabholz 9:00 99060. Screening ionic liquids for green chemistry. D. A. Gallagher, A. Klamt, M. Diedenhofen 9:25 99061. Guanidine/alcohol and amidine/ alcohol switchable solvent mixtures. H. A. Huttenhower, L. Phan, D. Chiu, D. J. Heldebrant, E. A. John, X. Li, P. Pollet, C. A. Eckert, C. L. Liotta, P. G. Jessop 9:50 Intermission. 10:05 99062. Development and characterization of renewable copolymers, poly(glycerol-fumarate) and poly(trimethylenemalonate) from by-products of biorefineries. M. D. Rowe, K. B. Walters 10:30 99063. Environmentally-friendly glycerol disposal using bacterial-mediated fermentation. A. T. Ford, B. H. van den Berg, R. Hernandez, W. E. Holmes, W. T. French 10:55 99064. Silica surface modifications for bioapplications. F. Shen, J. Genzer, O. J. Rojas, P. V. Gurgel, R. G. Carbonell 11:20 99065. Green catalytic hydrogenolysis of glycerol to propylene glycol over a promising silica supported copper catalyst. Z. Huang, F. Cui, J. Chen, X. Zhang, C. Xia

Section C Morial Convention Center Rm. 290 Industrial Applications of Microwave and Radio Frequency Processing Sponsored by AIChE Radio/Frequency Microwave Working Group, Cosponsored by I&EC‡


72–TECH

J. W. Cresko, M. A. Gonzalez, and R. F. Schiffman, Organizers 8:30 99072. Industrial microwave systems: Important tools for increased productivity. M. Yonnone 9:10 99073. Optimizing Performance and Minimizing Cost in Microwave Heating Systems. J. Gerling

9:50 99074. Application of microwave energy for processing of a variety of materials: An overview. D. Agrawal 10:30 99075. Dielectric property measurement over a wide range of temperatures. E. Ripley, B. Warren 11:10 99076. Microwave processing of metals. E. Ripley Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 231 Industrial and Engineering Chemistry Divisional Fellow Award Symposium—Dr. Ruben Carbonell

P. K. Kilpatrick, Organizer 1:30 64. Development of a device for prion reduction based on affinity ligand. P. V. Gurgel, M. O. Herigstad, Y. Zheng, L. Gregori, J. Lathrop, R. Rohwer, P. Edwardson, R. G. Carbonell 1:55 65. Integrated microfluidic devices for medical diagnostics and studying cell signaling. A. K. Singh 2:20 66. On bioseparations and gas antisolvent precipitation in the isolation of sclareol. X. Tombokan, R. Aguda, D. Danehower, R. G. Carbonell, P. K. Kilpatrick 2:45 67. On the consequences of being a colleague of Ruben G. Carbonell. J. Genzer 3:10 68. Polymer-inorganic hybrid materials: A platform to broaden the viability of large scale membrane applications. W. J. Koros 3:35 69. Rate processes in dissolution and adsorption processes of polymer. C. Grant, Y. Hussain 4:00 70. Polymeric chelating-adsorbents and their application in the development of novel strategies to purify proteins and metal ions from aqueous solutions. L. Wang, O. Gonzalez, B. Verdugo, J. Garcia, J. Porath, R. Guzman 4:25 71. Diffusion prediction model of enzymes on IMAC chromatography. R. Gutiérrez, E. M. Martín del Valle, M. A. Galán

Section B Morial Convention Center Rm. 230 ACS Award in Separations Science and Technology: Symposium in Honor of Allan S. Myerson

R. D. Rogers, Organizer, Presiding 1:30 72. Award Address (ACS Award in Separations Science and Technology, sponsored by Waters Corporation). Crystallization science and technology, past, present and future. A. S. Myerson 2:10 73. Crystal engineering molecules. L. R. MacGillivray 2:40 74. Polarization switching of crystal structure in the nonphotochemical laserinduced nucleation of supersaturated aqueous l-histidine. B. A. Garetz, X. Sun, A. S. Myerson 3:10 75. Transforming pharmaceutical crystals to cocrystals by reaction crystallization methods. N. Rodriguez-Hornedo, A. Jayasankar, S. J. Nehm, D. J. Good, L. S. Reddy 3:40 Intermission. 3:55 76. What do polymorphs teach us about nucleation and crystal growth? L. Yu, J. Tao, Y. Sun, H. Xi, M. D. Ediger 4:25 77. The influence of cadmium and temperature on crystallization of apoferritin. R. W. Rousseau, K. Bartling, A. Sambanis

4:55 78. Utilization of hydrophilic ionic liquids in separations: Understanding and taming complexity. R. D. Rogers, M. Dilip, N. J. Bridges, M. Smiglak, D. B. Cordes, K. Materna, G. Moyna

Section A Morial Convention Center Rm. 350 Green Chemistry & Engineering Chemistry and Industrial Ecology Sponsored by AIChE Environmental Division (Group 9), Cosponsored by I&EC‡ and ENGENV

M. A. Gonzalez, Organizer R. L. Smith, Organizer, Presiding 2:00 Introductory Remarks. 2:05 99093. Aqueous reaction and processing in Suzuki-Miyaura couplings using immobilized palladium catalysts in a phosphine-free system. P. Styring, N. T. Phan 2:30 99094. Direct epoxidation of propene over gold catalysts: Kinetics of epoxidation and water formation. T. A. Nijhuis, E. Sacaliuc, B. M. Weckhuysen, J. C. Schouten 2:55 99095. Water (resource) conservation using closed-loop, evaporative cooling systems for process, power, and refining applications. P. Demakos 3:20 99096. New type of organic-clay intercalative materials for gene delivery system. X. Wang, Y. Du 3:45 Intermission. 4:00 99097. High quality base oil production via the HyLube process. T. N. Kalnes, A. Schuppel, M. Van Wees 4:25 99098. Efficient degradation of organic pollutants promoted by hydrogen peroxide electrogenerated in situ. Y. Cong, Z. Wu 4:50 99099. Removal of SO2 and NO simultaneously from flue gas based on TiO2 photocatalytic oxidation. Z. Yi

Section J Morial Convention Center Rm. 390 New Trends and Best Practices in Process Development Sponsored by AIChE Pilot Plants (Group 12b), Cosponsored by I&EC‡

D. C. Attride and M. A. Gonzalez, Organizers 2:00 Introductory Remarks. 2:05 99113. Hydroformylation and carbonylation processes: New trends in synthesis of fine chemicals and pharmaceuticals. R. V. Chaudhari 2:30 99114. Pilot plant scaling: Engineering and chemistry considerations. J. Black 2:55 99115. Chemistry and catalysis in process development. J. B. Powell 3:20 99116. Scale up of the epoxidation of H2-O2-C3H8-C3H6 mixtures in jet-loop reactor system. F. Shubo, L. Shuyuan, Z. Dishun 3:45 99117. Enhanced production of laccase from Flammulina velutipes and its application in biobleaching of Kraft bamboo pulp. M. Liu, S. Fu Sr., H. Zhan Sr., H. Li, H. Liu Green Chemistry for Sustainable Energy Supply and Conversion Novel Catalysis Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Sponsored by PETR, Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV


I&EC TUESDAY EVENING Section A Morial Convention Center Hall A General Poster Session

H. K. Jacobs, Organizer 8:00–10:00 79. Measurement and correlation of vaporliquid equilibrium data for hexamethyl disilazane, hexane and hexamethyl disiloxane binary systems. L. Wang, H. Wu, L. Li, J. Zhao, C. Song 80. Leachability and flame retardancy of wood treated with metaborates. G. Ming, Y. Yuqing 81. Studies on direct electrosynthesis conditions of 2-pyridinecarboxylic acid in the plate and frame electrolytic cell. C-Y. Song, S-H. Jin, J-H. Zhao, L-C. Wang 82. Analytical modeling of CO2 separation through facilitated transport membranes containing amines as carrier. A. Heydari Gorji, T. Kaghazchi 83. Auger parameters applied to radiation detection materials. D. L. Perry, A. Olson, E. Topp, Z. Ma, S. S. Mao 84. X-ray photoelectron and Auger studies of rare earth-doped telluride semiconductors. D. L. Perry, A. Olson, E. Topp, Z. Ma, S. S. Mao 85. Biocidal polyurethane coating. L. Kou, A. Akdag, X. Ren, J. Liang, C. Zhu, S. D. Worley, T. S. Huang 86. Synthesis and application of a novel biocidal polymer. C. Zhu, A. Akdag, X. Ren, L. Kou, S. D. Worley, T. S. Huang 87. Nanosized antimicrobial polyarylonitrile fiber. X. Ren, S. D. Worley, L. Kou, A. Akdag, C. Zhu, T. S. Huang 88. Correlation of polymeric molecular structure with ablation energy. C. T. Lloyd, R. F. Cozzens 89. Designing amine-based solid sorbents for carbon dioxide capture in simulated flue gas conditions. J. H. Drese, J. C. Hicks, D. J. Fauth, M. L. Gray, C. W. Jones 90. Dielectric properties of surface treated barium strontium titanate powder-polybenzoxazine composite. N. Krueson, H. Manuspiya, H. Ishida 91. Efficient synthesis of 5’-O- propionyl 5-fluorouridine via highly regioselective acylation catalyzed by Novozym 435 in cosolvent mixtures. H. Wang, J. Wu, M. H. Zong 92. Evaluation of ionic liquids as green separation agents for the capture of carbon dioxide and sulfur dioxide. S. A. Morton III 93. Fe-containing ionic liquids for deep desulfurization. N. H. Ko, E. Huh, H. Lee, H. S. Kim, M. Cheong 94. High performance organic thin film transistor using 6, 13-bis(4-pentylphenylethynyl) pentacene by ink-jet printing. S. H. Lee, S. H. Han, M. H. Choi, Y. H. Kim, J. Y. Jeon, J. Y. Lee, J. Jang, D. J. Choo 95. Mechanical properties of polyimide composites reinforced by multiwalled carbon nanotubes. X. Gu, Q. Zhang 96. Mechanism of phosphate removal from Hanford tank sludges by caustic leaching. G. J. Lumetta 97. Microreactor technology for biodiesel production. P. Zhang, B. Wen 98. High efficiency nitrogen fertilizer production from coal power plant fly ash. P. Zhang, B. Wen 99. Process improvement on the synthesis of menadione sodium bisulfite. C. Song, H. Shen, L. Wang, J. Zhao 100. Preparation and properties of carbon nanotubes and polyurethane nanocomposites. Q. Zhang, Z. Chang, D. Chen 101. Study on synthesis of diphenyl phosphorazidate using tetraethylammonium bromide as phase transfer catalyst. J-H. Zhao, L. Li, H-Q. Wu, L-C. Wang, C-Y. Song 102. On the analytical solution to damped wave conduction and relaxation by hybridized methods of relativistic transformation and separation of variables. K. R. Sharma 103. Three methods to solve the constant wall flux problem during damped wave conduction and relaxation. K. R. Sharma

104. Preparation and pervaporation performances of PEA-based polyurethaneimide (PUI) membranes to benzene/cyclohexane mixture. H. Ye, J. Li 105. Modeling of non-isothermal crystallization kinetics of poly (vinylidene fluoride-cohexafluoropropylene). J. Cao, J. Li, B. Zhu, Y. Xu 106. Prediction of activities of small molecules in polymer membrane materials with the UNIQUAC model. J. Huang, J. Li, X. Zhan, Y. Lin, C. Chen 107. Preparation of PDMS-PVDF composite flat-sheet membranes: Application in recovery of propane from propane-nitrogen mixture. J. Cao, Y. Lin, J. Li, C. Chen 108. Improvement on polydimethylsiloxane/ polyvinylidene fluoride composite membranes for ethanol concentration from aqueous solution by pervaporation. X. Zhan, J. Li, C. Chen

Section B Morial Convention Center Hall A

99120. Pervaporation–esterification coupling. P. Schaetzel, R. Bouallouche, H. Aït-Amar 99121. Nitrone cycloaddition reactions in the miceller system. A. Alsbaiee 99122. Physical and chemical cellulose surface modification. S. Coseri 99123. Effects of ferrous ions on reduction of nitrobenzene by zero-valent iron. L. Liu, J. Yin, L. Zhang 99124. Pulp physical property improvement with LMS in TCF bleaching of Masson pine Kraft pulp. M. Liu, H. Zhan Sr., S. Fu Sr., H. Liu, H. Li 99125. Rheological behavior and drug-controlled release property of chitosan/rectorite nanocomposites. X. Wang, Y. Du 99126. Synthesis of aryl esters and ␣,␤alkynyl ketones via palladium on charcoal catalyzed carbonylation of aryl iodides. J. Liu, J. Chen, C. Xia 99127. Synthesis of new types gemini ionic liquids. G. Li, J. Wang, X. Yang Sr., L. Zhao

WEDNESDAY MORNING Section A

Joe Breen Green Chemistry Student Poster Session

M. M. Kirchhoff and K. Parent, Organizers 8:00–10:00 109. Joe Breen: The heart and soul of green chemistry. M. M. Kirchhoff 110. Preparation of ionic liquids and their use in the synthesis of polyamine analog reactions. F. C. Mayville Jr., K. Merancy 111. A study of ionic liquids for applications in the continuous separation of butanol from fermentation media. A. A. Jermusyk, S. A. Morton III 112. Development of ionic liquid-supported catalysis by iminium activation. A. L. Grote, J. M. Cosco, N. R. Collins, R. J. Mullins 113. Cyclopropanation reactions using metal conjugates. S. A. Patrawala 114. Extraction of water soluble contaminants using water in carbon dioxide microemulsions with newly prepared CO2-soluble amino acid-based surfactant. W. Kim, Y. Kwon, H. Kim 115. Investigation into the use of oxidized and cross-linked poly(methylhydro)siloxane as a support for a heterogeneous catalyst. C. A. Mocka, D. K. Wicht 116. Metal-loaded AC catalysts to promote 4-chlorophenol degradation in pulsed high-voltage electrical discharge plasma process. X. Hao, L. Lei, G. Du, J. Chen 117. Solvent–free hydrogenation of solid olefins and nitroaromatics by palladium nanoparticles embedded in alumina hydroxide. F. Chang, H. Kim, J. Park

Section A Morial Convention Center Rm. 351 Green Chemistry & Engineering Poster Session Sponsored by AIChE Environmental Division (Group 9), Cosponsored by I&EC‡ and ENGENV

R. L. Smith and M. A. Gonzalez, Organizers 5:00–7:00 99118. Coupling multistage distillation and pervaporation. P. Schaetzel, J-C. Remigy 99119. Self-diffusion of monovalent ions in highly concentrated liquid and solid electrolytes. P. Schaetzel, Y. Li, Q. T. Nguyen, D. Langevin


Morial Convention Center Rm. 231 Industrial and Engineering Chemistry Divisional Fellow Award Symposium—Dr. Bruno Notari

G. Bellussi, Organizer 8:30 Introductory Remarks. 8:35 118. Au/TS-1 catalysts for propylene epoxidation. W. N. Delgass, A. M. Joshi, B. Taylor, K. T. Thomson 9:05 119. Regioselective mononitration of toluene over MFI zeolite catalysts. S-S. Kim, T. J. Pinnavaia 9:35 120. Catalytic CO oxidation by Au: Elucidation of the active sites. H. H. Kung, M. C. Kung, S. M. Oxford, J. Henao 10:05 121. Effects of pretreatment conditions on the adsorption and reactive properties of titanium dioxide. R. J. Willey, E. Viveiros, B. Notari 10:35 Intermission. 10:50 122. Oxidation reactions in the synthesis of intermediate and fine chemicals using environmentally benign oxidants. W. F. Hoelderich 11:20 123. Metal zeolites selective Lewis acid catalysts. A. Corma 11:50 124. The impact of zeolite catalysis on the development of new technologies and industrial processes. U. Romano 12:20 125. An overview of Titanium crystalline silicate catalysts after 25 years. B. Notari

WEDNESDAY AFTERNOON Section A Morial Convention Center Rm. 231 Incentives and Barriers to the Adoption of Sustainable Chemistry Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), the Committee on Environmental Improvement, the Green Chemistry Institute, and ENGENV

M. A. Abraham and F. Wood-Black, Organizers 2:00 Introductory Remarks. 2:10 126. Science and policy perspectives on sustainability. J. C. Warner 2:35 127. Energy perspectives of sustainability. R. C. Armstrong 3:00 128. Business perspectives of sustainability. A. Larson 3:30 Intermission. 3:40 129. Common obstacles and strategic opportunities in implementing a sustainability program. M. Curran 3:55 130. Sustainable chemistries at Rohm and Haas: Environmentally friendly and economically viable innovations. C. T. Hunt 4:10 131. Sustainability at Interface America. D. Gustashaw

4:25 132. Rilsan® Polyamide-11: A success story for sustainable resource based engineering thermoplastic. J. Mason 4:40 133. A green fire fighting technology: Hope for the future or the kiss of death. R. E. Tinsley 4:55 134. Sustainable chemistry: Moving from theory to practice. R. McFadden 5:10 135. Green chemistry and sustainable innovation. W. Greggs 5:25 Concluding Remarks. Chemical Pricing, Business and Industry Information: Determination, Dissemination, and Use Sponsored by CINF, Cosponsored by I&EC

WEDNESDAY EVENING Section A Morial Convention Center Rm. 232 Incentives and Barriers to the Adoption of Sustainable Chemistry Poster Session Cosponsored by AIChE Sustainable Engineering Forum (NPC 23), Committee on Environmental Improvement, Green Chemistry Institute, and ENGENV

G. L. Adams and P. L. Watson, Organizers 6:00–8:00 136. Internal challenges in adopting sustainable chemistry within a firm. G. L. Adams 137. From red light to green light: Policies to advance green chemistry. K. J. Matus, K. Itameri-Kinter, P. T. Anastas, W. C. Clark 138. Unintended consequences: Potential pitfalls for the future. F. Wood-Black 139. Greening of chromatography and separation chemistry. S. Ahuja 140. Using total business cost assessment to link sustainability to the bottom line. D. de la Haye, L. Laurin 141. Common obstacles and strategic opportunities in implementing a sustainability program. M. Curran 142. Challenges in life cycle management of chemical products at 3M. M. J. Falco 143. Sustainability at Cytec. C. English 144. Tools and strategies for greening chemical inventories. L. G. Heine

THURSDAY MORNING Section A Morial Convention Center Rm. 231 Nanotechnology and the Environment: Emphasis on Green Nanotechnology Cosponsored by ENGENV

T. E. Mallouk, S. S. Wong, and B. Karn, Organizers 8:30 145. Is there a big future for green nanotechnology? B. Karn 9:00 146. Green nanotechnologies: Potentials and prospects. A. Vaseashta, M. Vaclavikova, G. Gallios, J. Schoonman, I. Stamatin 9:30 147. Environmental applications of nanocrystalline zeolites. S. C. Larsen, V. H. Grassian 10:00 148. A combinatorial approach to solving the problem of splitting water with sunlight. B. A. Parkinson, M. Woodhouse 10:30 149. Surface characterization and electrocatalytic activity of ordered intermetallic PtBi(001) surfaces by ultrahigh vacuum-electrochemistry (UHV-EC). J. Sanabria-Chinchilla, H. Abe, F. J. DiSalvo, H. D. Abruña 11:00 150. Aqueous-phase hydrogenation of ketones using colloidal platinum nanocatalysts. A. L. Marsh, J. K. Navin, C. A. Kauffman, K. A. Manbeck, M. W. Porambo 11:30 151. Microfluidic synthesis/functional Patter-fabrication for advanced nanotechnology. K. Choi 12:00 152. Green synthesis, separation and analysis of water-soluble, monolayerprotected quantum dots. C. A. Miller, S. A. Owens, M. C. Carpenter, J. W. H. Sonne, D. T. Miles

TECH–73

TECHNICAL PROGRAM

I&EC/INOR THURSDAY AFTERNOON Section A Morial Convention Center Rm. 231 Nanotechnology and the Environment: Emphasis on Green Nanotechnology Green Synthesis Cosponsored by ENGENV

T. E. Mallouk, S. S. Wong, and B. Karn, Organizers 1:30 153. Green nanostructure synthesis. S. S. Wong 2:00 154. Toward greener nanotechnology: Lessons from functionalized nanoparticle synthesis. J. E. Hutchison, L. C. McKenzie 2:30 155. Creating environmentally friendly reactive nanoparticles through surface modification. G. V. Lowry, T. Phenrat, S. K. Kazy, P. J. J. Alvarez, B. Veronesi 3:00 156. Expanding nanoscience by thinking green: New capabilities for the synthesis of high-temperature solids using lowtemperature solution chemistry. R. E. Schaak 3:30 157. Greener synthesis of noble metal nanostructures and nanocomposites. R. S. Varma, M. N. Nadagouda 4:00 158. Microwave-induced controlled purification of single-walled carbon nanotubes without sidewall functionalization. Y. Chen, S. Mitra 4:30 159. High quality nanocrystals produced in edible oils: Toward green, accessible nanomanufacturing. V. Colvin 5:00 160. Green chemistry synthesis of polyaniline nanofibers. S. K. Manohar, S. Surwade, V. Dua, R. Anandakathir, X. Zhang

INOR Division of Inorganic Chemistry D. C. Crans and B. T. Donovan-Merkert, Program Chairs

10:30 4. Chiral metal-organic frameworks for asymmetric catalysis. W. Lin 11:00 5. Amorphous infinite coordination polymer nano- and microparticles. C. A. Mirkin, Y-M. Jeon, J. Heo 11:30 6. Magnetic metal-organic frameworks based on octacyanometalates. Y. Song, X-Z. You 12:00 7. Hydrogen-bonded host frameworks of metal complex cations and organic disulfonate anions: Effects of the guest molecules and the charge of the metal complex. X-Y. Wang, S. C. Sevov

Section B Morial Convention Center Rm. R02 Cotton Memorial Symposium

T. J. Marks, Organizer R. D. Adams, Organizer, Presiding 9:00 Introductory Remarks. B. Bursten. 9:10 8. Invention of highly selective organo-felement centered catalytic transformations. T. J. Marks 9:40 9. Influence of cellular, organic, salts, heteropolymets and antibiotics on functional mobility of ribosomes. A. E. Yonath 10:10 10. Experimental visualizations by 2-D IR of water associating with peptides and ions. J. Chen, C-H. Kuo, D. Y. Vorobyev, Y-S. Kim, R. M. Hochstrasser 10:40 11. DNA charge transport for DNA damage and repair. J. K. Barton 11:10 12. Recent developments in low-valent transition metal chemistry. J. E. Ellis 11:40 13. Niobium-mediated phosphorus activation and transfer reactions. N. A. Piro, B. M. Cossairt, H. A. Spinney, J. S. Figueroa, C. C. Cummins

Celebrating Ten Years of Beckman Scholars in Chemistry (see PRES, Sun, Mon)

SUNDAY MORNING Section A Morial Convention Center Rm. R01 Metal-Organic Frameworks: What are They Good for

W. Lin, Organizer H-C. Zhou, Organizer, Presiding 9:00 1. Back to the future: New ligands for old topologies. M. J. Zaworotko, J. J. Perry IV, J. Perman 9:30 2. A survey of the basic science and applications of metal-organic frameworks. O. M. Yaghi 10:00 3. From tectons to complex coordination networks. M. W. Hosseini


F. Albert Cotton Award in Synthetic Inorganic Chemistry: Symposium in Honor of John Corbett

G. J. Miller, Organizer, Presiding 9:00 Introductory Remarks. 9:10 23. Clusters in the West. A. Simon 9:40 24. New positive-electrode materials for lithium batteries. K. R. Poeppelmeier, F. Sauvage, V. Bodenez, H. Vezin, T. A. Albrecht, J-M. Tarascon 10:10 25. Reduced rare-earth halides beyond Corbett (?). G. Meyer 10:40 26. Exploring Zintl phases as high temperature thermoelectric materials. S. M. Kauzlarich 11:10 Intermission. 11:20 27. New extended solids containing quantized magnetic nanostructures. S-J. Hwu 11:50 28. Relaxation and structural assembly control the mechanism of crystal growth in condensed matter. J. D. Martin 12:20 29. Building block approach to understanding main-group-metal complex structures. P. K. Dorhout

Section E Morial Convention Center Rm. 218 Celebrating Bioinorganic, Supramolecular, Lanthanide and Actinide Chemistry with Ken Raymond Bioinorganic


8:30 Introductory Remarks. 8:35 30. Gas-phase ultraviolet/X-ray photoelectron spectroscopy of inorganic molecules: How strong are your metal-ligand bonds? M. A. Cranswick, N. E. Gruhn, J. H. Enemark, D. L. Lichtenberger 9:05 31. Another biological role for polyphenols: Antioxidant activity and metal coordination. N. R. Perron, J. L. Brumaghim 9:35 32. Sailing through the tumultuous digestive tube: On board to succeed. A. Stintzi 10:05 33. Carbohydrate conjugates in medicinal inorganic chemistry. C. Orvig 10:35 34. Silica-gel-bound macrocycles: A molecular approach to remove lead from drinking water. M. Meyer 11:05 Intermission. 11:15 35. Advances in structural analyses of complex molecules. K. O. Hodgson 11:45 36. Siderophores: Thirty years later. C. J. Carrano 12:15 37. Catecholate–Fe(III) bonds. E. I. Solomon 12:45 38. Metalloprotein folding. H. B. Gray, J. R. Winkler

Frederic Stanley Kipping Award in Silicon Chemistry: Symposium in Honor of T. Don Tilley

R. Waterman, Presiding 9:00 14. Acceptor platinum PCP chemistry. D. M. Roddick, J. J. Adams 9:20 15. Silicon vs. tin-transition metal chemistry. K. H. Pannell, H. K. Sharma, R. Arias 9:40 16. Transition metal complexes of oligosilylalkynes. C. Marschner, M. Zirngast, J. Baumgartner 10:00 17. Modular amidate ligands for the facile synthesis of tunable early transition metal and lanthanide catalysts. L. L. Schafer 10:20 18. Synthesis and reactivity of transition metal complexes supported by new pincer ligands featuring formally anionic heavier main group element donors. L. Turculet, M. C. MacInnis, D. F. MacLean 10:40 19. Double geminal Si-H bond activation by Cp*Ru(P,N) complexes: Observation of a key stoichiometric step in the Glaser-Tilley alkene hydrosilylation mechanism. M. A. Rankin, D. F. MacLean, M. Stradiotto 11:00 20. Zirconium-catalyzed bond-forming reactions. R. Waterman, A. J. Roering, J. J. Davidson, S. M. Chan, S. N. MacMillan, J. M. Tanski 11:20 21. Transition-metal complexes containing tris(oxazolinyl)borate ligands. A. D. Sadow 11:40 22. Organometallic chemistry of a guanidine-substituted tris(trimethylsilyl)methyl ligand. M. P. Coles

9:40 41. Recent discoveries with energetic precursor approaches to metal oxyhalides and nanoscale phosphorus-rich metal phosphides. E. G. Gillan, B. M. Barry, S. Perera, N. A. Zelenski, R. E. Pho 10:00 42. Studying divalent ytterbium chemistry as challenging undergraduate research projects. G. M. Ferrence, K. E. Stull, K. V. Geary, S. M. Robinson, A. K. Hofer, A. S. Burwell 10:20 43. Synthesis, characterization, and reactivity of a uranyl(V) diketiminate complex. T. W. Hayton, G. Wu 10:40 44. Inorganic kinetics studies using an ultrarapid scanning FT-IR/stopped flow spectrometer. T. Bitterwolf, P. R. Griffiths, C. Manning, M. Reback 11:00 45. Ligand-mediated multielectron redox reactions at first-row transition metal centers. J. D. Soper 11:20 46. NADH promotes iron release from a siderophore through reduction. K. A. Mies, A. L. Crumbliss 11:40 47. Origin of the root effect in fish Hbs: Moderate proton-dependence of redox potentials suggests steric hindrance dominance. C. J. P. Siburt, C. Bonaventura, A. L. Crumbliss 12:00 48. Utilization of hydrogen bonds in coordination chemistry: Synthesis and properties of square planar Ni(II)-OH complexes. D. Powell-Jia, A. S. Borovik, J. W. Ziller 12:20 49. Vapochromic platinum (II) salts. S. D. Taylor, R. T. Hart Jr., J. A. Krause, W. B. Connick 12:40 50. When is addition of X-Y to M not oxidative? C. W. Hamilton, D. E. Morris, M. W. Blair, N. J. Henson, R. L. Martin, J. L. Cross, A. D. Sutton, K. C. Jantunen, B. L. Scott, R. T. Baker

Section G A. S. Borovik, D. W. Johnson, and A. E. V. Gorden, Organizers R. J. Abergel, Presiding


74–TECH


Section C

B. L. Lucht, Organizer OTHER SYMPOSIA OF INTEREST:

Section D

Section F Morial Convention Center Rm. 219 General Inorganic Chemistry

R. P. Houser, Organizer T. E. Bitterwolf, Presiding 9:00 39. Bis(mercaptoimidazolyl)methane complexes of copper and silver. T. A. Pinder, K. A. Kreisel, G. P. A. Yap, D. Rabinovich 9:20 40. Reactions of rhenium and manganese pentacarbonyl bromide with thiols and thiosalicylic acid. A. K. F. Rahman, A. Tran, T. Sarathi, C. Lamptey, D. Powell

Morial Convention Center Rm. 217 Environmental Aspects of Inorganic Chemistry

D. C. Crans, Organizer J. L. DuBois and X. Cheng, Presiding 9:00 51. Evaluation of poly-silicate-ferric(PSF) as a new kind of inorganic polymer coagulant. X. Xu, S. Yu, Z. Jiang 9:20 52. Long-term observation on metallic elements in Beijing aerosol: Seasonal trends and sources. K. He, Q. Zhao, Y. Jia, Y. Ma, F. Duan, Y. Lei, D. Zhang, S. Tanaka, T. Okuda, S. Yao 9:40 53. Coagulation for antibiotic fermentation wastewater pretreatment using polyferric sulfate. Z. Xing, X. Cheng, J. Shang, D. Sun 10:00 54. Hexavalent chromium at model peptide/aqueous interfaces studied by resonantly enhanced second harmonic generation. J. M. Gibbs-Davis, P. L. Hayes, K. A. Scheidt, F. M. Geiger 10:20 55. Identification and isolation of essential components of the iron acquisition system of the environmental microbe Pseudomonas mendocina ymp. J. D. Awaya, J. L. DuBois 10:40 56. Structure investigation of Cr(III)Fe(III)-oxyhydroxides. Y. Tang, F. M. Michel, J. B. Parise, R. J. Reeder 11:00 57. Adsorption of phosphate from sludge liquor by Zn-Al layered double hydroxides. X. Cheng, X. Huang, A. Chen, D. Sun 11:20 58. Application of ruthenium(II)quaterpyridinium complexes as sensitizer-relayassemblies for the generation of hydrogen and methane. S. Gamage, M. Basel, S. H. Bossmann 11:40 59. Elemental composition and source identification of individual particles during a dust storm. K. He, Y. Cheng, Y. Ma, Y. Chen

INOR Section H Morial Convention Center Rm. 221 Nanoscience—Characterization and Applications to Energy

D. J. Nelson, Organizer L. Zeng and Y. Wu, Presiding 9:00 60. New iron oxide and iron-manganese oxide shaped nanoparticles: Synthesis, characterization, growth studies, oxidation, and derivatization. K. H. Whitmire, C. Hofmann, I. Rusakova, C. S. Levin, T. Ould-Ely, D. Prieto-Centurion, K. Hartman, A. Kelly, A. Luttge, N. J. Halas 9:20 61. Thermopower as a tool for characterization of metal-molecule junctions. K. Baheti, J. A. Malen, P. Doak, T. D. Tilley, A. Majumdar, R. A. Segalman 9:40 62. Self-assembly and field-responsive optical diffractions of superparamagnetic colloids. J. Ge, Y. Hu, T. Zhang, Y. Yin 10:00 63. Templating gold nanoparticles on highly ordered pyrolytic graphite via selfassembling monolayers. X. Wei, M. B. Zimmt 10:20 64. A modular approach to photochemical water splitting catalysts using KCa2Nb3O10 nanosheets, IrO2 and Pt nanoparticles. O. C. Compton, E. C. Carroll, M. Sarahan, C. Mullet, S. Chiang, N. D. Browning, D. S. Larsen, F. E. Osterloh 10:40 65. AgI@SWCNT: Low dimensional nanoaggregates and energy storage. S. Leoni, F. Mercuri, M. Baldoni, A. Sgamellotti, G. Seifert Sr. 11:00 66. Direct deposition of trivalent rhodium hydroxide into a calcium niobate for photocatalytic hydrogen generation. H. Hata, T. E. Mallouk 11:20 67. Influence of particle size on the charge storage behavior of palladium nanoparticles. W. Guo, S. O. Obare 11:40 68. Synthesis and integration of metal oxide nanostructures for combustion and environmental monitoring. R. L. Vander Wal, G. W. Hunter, G. M. Berger, J. C. Xu, L. J. Evans 12:00 69. Synthesis of copper (I) sulfide nanocrystals for photovoltaic application. Y. Wu, C. Wadia, W. Ma, B. Sadtler, A. Alivisatos 12:20 70. Template synthesized MnO2/ poly(3,4-ethylenedioxythiophene) core/ shell nanowires by one step coelectrodeposition and their applications to energy storage. R. Liu, S. B. Lee 12:40 71. Carbon nanotube Schottky diode from asymmetric carbon nanotube-metal junctions induced by mass transport of lithium ions. H. Lim, H. C. Choi

Section I Morial Convention Center Rm. 210 Main Group Chemistry

R. P. Houser, Organizer E. G. Gillan, Presiding 9:00 72. A 9-phosphonylated acridinyl radical. C. L. Dorsey, F. P. Gabbaï 9:20 73. Allylic CH-activation and double bond addition chemistry employing stannylenes. M. Banaszak Holl, A. Kavara, K. Cousineau 9:40 74. Bridging complexes of aluminum alkyls with di- and tri(3-methylindolyl)methanes. N. Kingsley, K. Kirschbaum, M. R. Mason 10:00 75. Cationic dipyrromethene boron derivatives. T. W. Hudnall, F. P. Gabbaï 10:20 76. Electrochemistry and spectroelectrochemistry of a silicon (IV) phthalocyanine chloride. K. R. Pichaandi, H. Jacobsen, M. J. Fink 10:40 77. New synthetic route to main group conducting polymers based on a thiophene-substituted diazabutadiene ligand. C. R. Hoberg, A. H. Cowley

11:00 78. Boryllithium chemistry: Synthesis, structures in solid and solution state, and reactivities toward organic molecules. Y. Segawa, Y. Suzuki, M. Yamashita, K. Nozaki 11:20 79. Regeneration of spent ammonia borane fuels. B. L. Davis, M. H. Matus, F. H. Stephens, D. A. Dixon, J. C. Gordon 11:40 80. Synthesis, structure, and characterization of substituted cyclopentadienyl complexes of the heavy group 15 metals. S. C. Chmely, T. P. Hanusa, A. L. Rheingold

SUNDAY AFTERNOON Section A

5:00 94. Design and application of openstructure single-site heterogeneous catalysts. J. M. Thomas, R. Raja

Morial Convention Center Rm. R03 Frederic Stanley Kipping Award in Silicon Chemistry: Symposium in Honor of T. Don Tilley

B. L. Lucht, Organizer A. D. Sadow, Presiding

Cotton Memorial Symposium

R. D. Adams, Organizer

Section D

T. J. Marks, Organizer, Presiding


Metal-Organic Frameworks: What are They Good for

H-C. Zhou, Organizer W. Lin, Organizer, Presiding 1:30 81. The advantages of the breathing effect in MOFs. G. Férey 2:00 82. Chemical reactivity and metalorganic frameworks. L. R. MacGillivray 2:30 83. Construction and properties of cluster-based metal-organic frameworks. X-T. Wu, M-F. Rao 3:00 84. Metal organic frameworks based on metal ions and organocyanide ligands. K. R. Dunbar, N. Lopez, H. Zhao, A. Ota, A. V. Prosvirin 3:30 85. Microporous MOFs: Porosity and multifunctionality. J. Lee, K. Li, L. Pan, D. H. Olson, J. Li 4:00 86. Building function into frameworks. C. J. Kepert 4:30 87. What can we do with 1-D coordination polymers? J. Vittal

Section B Morial Convention Center Rm. R02

2:00 88. Reactions of nitric oxide and its derivatives with transition metal complexes and clusters containing sulfur-donor ligands. S. J. Lippard 2:30 89. Direct observation of the symmetry of transition states using 2-D infrared spectroscopy. C. B. Harris, J. F. Cahoon, K. R. Sawyer, J. P. Schlegel, M. C. Zoerb 3:00 90. Advances in polyhedral borane chemistry. M. F. Hawthorne 3:30 91. Giant spherical and wheel shaped polyoxometalates: From aesthetics to multifunctionality. A. Mueller 4:00 92. New directions for hydrogen activation using unsaturated mixed metal cluster complexes. R. D. Adams, B. Captain, E. Trufan, L. Zhu 4:30 93. New frontiers in nanosized homopalladium/heteropalladium carbonyl clusters: Hypothesized metal-core growth processes and chemical consequences of bimetallic Au-Pd/Pt-Pd clusters vs. homopalladium analogs. L. F. Dahl, E. G. Mednikov, J. D. Erickson



Section C

2:00 95. Design of materials for solution processed organic light emitting diode devices. N. S. Radu, N. Herron, G. M. Rossi, F. Gentry, M. A. Guidry, E. Smith, J. Merlo, R. Chesterfield, D. LeCloux 2:20 96. Metal complexes of calix[8]arenederived ligands. I. Castillo, P. R. Martinez-Alanis 2:40 97. Tunable mesophase formation in substituted polythiophenes. B. L. Lucht, Y. Wang, X. Li, Y. Zhu, W. B. Euler 3:00 98. Alkaline earth metal complexes supported by tridentate ancillary ligands: Toward novel lactide polymerization catalysts. P. G. Hayes, B. J. Ireland, C. A. Wheaton 3:20 99. Antiferromagnetic through-space lanthanide-transition metal coupling mediated by a diligating triamidophosphine ligand. S. A. Johnson 3:40 100. Chemistry related to the formation of Si-based microelectronic materials. Z-L. Xue 4:00 101. Gas storage in phosphine coordination materials. S. M. Humphrey, P. K. Allan, J-S. Chang, Y. K. Hwang, R. M. Lambert, S. E. Oungoulian, D. J. Watson, E. R. Wise, H. H. M. Yeung, J. W. Yoon 4:20 102. Low temperature and environmentally benign syntheses of ternary perovskite and binary semiconducting oxide nanocrystals. R. L. Brutchey 4:40 103. Tantalum(V) boronate clusters exhibiting a supramolecular Lewis acid cavity. F-G. Fontaine, C. N. Garon


Section E

F. Albert Cotton Award in Synthetic Inorganic Chemistry: Symposium in Honor of John Corbett

G. J. Miller, Organizer A. M. Guloy, Presiding 2:00 104. Germanium- and tin-atom clusters in intermetallic compounds and discrete cluster anions. T. F. Fässler 2:30 105. Molecular scale organic electroluminescence from tunnel junctions. Z-C. Dong 3:00 106. Organo-Zintl chemistry: Alkylation and alkenylation of deltahedral germanium clusters and their reactivity. S. C. Sevov 3:30 107. Rapid molten-salt flux synthesis of transition-metal oxide photocatalysts. P. A. Maggard Jr. 4:00 Intermission. 4:10 108. Synthesis, structure and fluorescent property characterizations of new promising scintillators. J-T. Zhao 4:40 109. Synthetic, structural, and magnetic challenges posed by gadolinium clusterbased solids. T. Hughbanks, L. E. Sweet 5:10 110. Visualization of chemical bonding in intermetallics based on kinetic energy density. D-K. Seo, C. Weng 5:40 111. Utiliziing mild oxidation reactions of polar intermetallic phases as soft chemical routes to new materials. A. M. Guloy 6:10 Concluding Remarks.

Celebrating Bioinorganic, Supramolecular, Lanthanide and Actinide Chemistry with Ken Raymond Chemistry of Lanthanides and Actinides

A. S. Borovik, D. W. Johnson, and A. E. V. Gorden, Organizers G. Szigethy and A. P. S. Samuel, Presiding 2:00 Introductory Remarks. 2:10 112. Routes to enhance the sensitivity of lanthanide-based probes for MR-molecular imaging investigations. S. Aime 2:30 113. Luminescent lanthanide complexes and nanomaterials for bioanalytical and biologic imagery applications. S. Petoud, C. M. Shade, H. Uh, J. Zhang, A. M. Yingling, D. A. Chengelis, S. Blanck, G. Filipczyk 2:50 114. Luminescent lanthanide probes for biological applications. V. C. Pierre 3:10 115. Supramolecular approach toward obtaining highly efficent gadolinium(III) contrast agents. T. N. Parac-Vogt 3:30 116. Uranium interactions with aspartylcontaining peptides. J. D. Van Horn, H. Huang 3:50 117. Advances in plutonium coordination complexes, bioinorganic chemistry, and potential separations agents. M. P. Neu 4:10 Intermission. 4:30 118. Where KNR has not trod: Solidstate actinides. J. A. Ibers 4:50 119. Rational design of therapeutic actinide chelators: The Raymond Group. P. W. Durbin 5:10 120. Actinide selective systems for environmental extraction and sensing applications. A. E. V. Gorden 5:30 121. Adventures in actinide coordination chemistry with Raymond ligands. D. K. Shuh, G. Szigethy, A. E. V. Gorden, J. Xu, T. Tyliszczak, L. Bradshaw, P. W. Durbin, P. Chang, E. A. Blakely, K. N. Raymond 5:50 122. Synthesis, characterization, and f-element modeling of actinide nitrides. G. C. Silva, F. Poineau, G. Cerefice, P. F. Weck, K. Czerwinski

Section F Morial Convention Center Rm. 219 Alfred Bader Award in Bioinorganic or Bioorganic Chemistry: Symposium in Honor of Lawrence Que, Jr: The Chemistry and Biology of Nonheme Iron Map Makers

S. S. David, Organizer A. S. Borovik, Organizer, Presiding 1:30 Introductory Remarks. 1:35 123. Ins and outs of nickel trafficking. M. J. Maroney, S. Leitch 1:55 124. Structure/function investigations of lipoxygenase. T. R. Holman 2:15 125. Two new short-lived intermediates in the catalytic cycle of Mn dioxygenase. M. Hendrich, W. Gunderson, A. Zatsman 2:35 126. Differences in control of electron transfer from [2Fe-2S] ferredoxins to diiron desaturase and monooxygenase. B. Pierce, N. L. Elsen, B. G. Fox 2:55 127. The role of iron-sulfur clusters in the repair of damaged DNA bases. S. S. David 3:15 128. Understanding the catalytic mechanisms of dinuclear metalloproteases. R. C. Holz 3:35 129. Encapsulation of enzymes: New strategies for probing function. T. E. Elgren 3:55 130. Mössbauer, EPR and DFT studies of high-valent iron complexes of biological interest. E. Munck, E. L. Bominaar

TECH–75

TECHNICAL PROGRAM

INOR 4:25 131. Views of an oxygenase enzyme at work in crystallo. J. D. Lipscomb, E. G. Kovaleva 4:55 132. Copper-oxygen and -sulfur complexes for modeling active site intermediates in copper enzymes. W. B. Tolman, S. Hong, S. M. Huber, I. Bar-Nahum, J. T. York, C. J. Cramer, L. Gagliardi

Section G Morial Convention Center Rm. 217 Photochemistry and Photophysics of Inorganic Systems

F. N. Castellano, Organizer R. Schmehl, Presiding 1:50 133. Supramolecular solar H2 photocatalysts and multifunctional DNA binding and photocleavage agents: Molecular design incorporating reactive metals into photochemical molecular devices. D. F. Zigler, S. M. Arachchige, J. Brown, R. Miao, K. Rangan, E. Chang, K. J. Brewer 2:20 134. Quenching mechanism of zinc(salicylaldimine) by nitroaromatics and nitroalkanes. M. J. Knapp 2:40 135. Attenuation of mediator leakage in biofuel cell polymer modified electrodes: Photophysical and electrochemical characterization of a perfluoroalkyl-modified 2,2’-bipyridyl ruthenium complex. P. A. Jelliss, S. D. Minteer, M. Patel, M. Watt 136. Withdrawn. 3:00 137. Photochemical reactivity of thionitrosylchromium(2+) complexes: Evidence for photoinduced transfer of NS. A. Døssing, J. Dethlefsen 3:20 138. Ground and excited state redox reactions of a copper helicate with an oligomeric neocuproine ligand. G. Ferraudi, A. G. Lappin, G. Estiu, L. Lemus 3:40 Intermission. 4:00 139. Photophysics of platinum(II) acetylides bearing structurally appealing terpyridines. M. L. Muro, F. N. Castellano 4:20 140. Blue shifting phosphorescence by extending conjugation. K. Hanson, L. G. Griffe, A. Hassan, P. I. Djurovich, M. E. Thompson 4:40 141. Fluid solution photophysics of a luminescent platinum(II) diimine complex. A. Shiveley, W. B. Connick 5:00 142. Photophysical properties of cyclometalated iridium (III) complexes with broad band luminescence. T. Sajoto, A. B. Tamayo, P. I. Djurovich, M. E. Thompson 5:20 143. Heavy atom induced phosphorescence of organic materials for OLED applications. K. M. Sherman, M. A. Omary

Section H Morial Convention Center Rm. 221 Inorganic Catalysts

K. Kustin, Organizer P. J. Chupas, Presiding 1:50 144. Watching nanoparticles grow: The mechanism and kinetics for the formation of TiO2-supported platinum nanoparticles. P. J. Chupas, K. W. Chapman, G. Jennings, P. L. Lee, C. P. Grey 2:10 145. (Tetramethyltetraazaannulene)chromium chloride: A highly active catalyst for the copolymerization of epoxides and carbon dioxide. S. B. Fitch, D. J. Darensbourg 2:30 146. Carbon supported PtCr electrocatalyst for low temperature PEM fuel cell. Y. Gong, Y. Yeboah, Z. Wang, V. Balashov


76–TECH

2:50 147. Cheap, easy, fast and selective: Optimizing catalysts for ammonia-borane dehydrogenation. C. W. Hamilton, R. T. Baker, R. Shrestha, T. A. Semelsberger 3:10 148. Dehalogenation and dehydrohalogenation of alkyl dihalides at room temperature using NaX zeolite. C. Kanyi, D. C. Doetschman 3:30 149. Fluidization of spherical MCM-41 with large particle diameter and for scalable catalytic application of single walled carbon nanotube production with narrow (n,m) chiralty. Y. Yang, X. Liu, S. Hu, H. Sun, R. Lau 3:50 150. Investigation of Pt phosphinito complexes as catalysts for the hydration of cyanohydrins under mild conditions. T. J. Ahmed, B. R. Fox, D. R. Tyler 4:10 151. Kinetic analysis and mechanistic implications of Bu-TaSBA15 catalyzed olefin epoxidation with aqueous hydrogen peroxide. D. A. Ruddy, T. D. Tilley 4:30 152. Mechanism of cis-dihydroxylation and epoxidation of alkenes by highly H2O2 efficient dinuclear manganese catalysts. W. R. Browne, J. W. de Boer, P. L. Alsters, R. Hage, B. L. Feringa 4:50 153. Nanostructuring catalysts: Building block titanosilicates and vanadosilicates. R. Mayes, C. Barnes 5:10 154. Optimization of the grafting technique for the production of a ␥-alumina supported manganese oxide heterogeneous catalyst. N. J. Schoenfeldt, D. P. Eyman

Section I Morial Convention Center Rm. 210 Coordination Chemistry—Synthesis

W. A. Howard, Organizer, Presiding 2:00 155. Diarylborenium cations. C-W. Chiu, F. P. Gabbaï 2:20 156. Mixed-valent diboradiferrocene cations. F. Jäkle, K. Venkatasubbaiah 2:40 157. Synthesis and characterization of rigid supramolecular coagulants, modifications of morphology and charge state. S. Kobayashi, J. C. Poler 3:00 158. Solvothermal synthesis and characterization of high nuclearity transition metal phosphonate molecular clusters. S. Konar, A. Clearfield 3:20 159. Halide-bridged dicopper(I) naphthyridine-diimine “crescent” complexes bearing short metal-metal distances. S. Fox, F. R. Fronczek, E. J. Valente 3:40 160. Iron-pyrazolate chemistry: Tuning of magnetic and electrochemical properties by pyrazole substitution. D. M. Piñero 4:00 161. Reaction of diboranes with a dinuclear Pd(0) complex. D. J. Sattler, M. J. Fink 4:20 162. Copper complexes of 3-methylthioN-(3-pyridylmethyl)acetamide and 4-methylthio-N-(4-pyridylmethyl)acetamide as models for copper nitrite reductase. U. Pal Chaudhuri, R. P. Houser 4:40 163. [(VIVO)2(ttha)]2- (ttha = Triethylenetetramine-N,N,N’,N⬘,N’⬘,N’⬘-hexaacetate) as a model of the transferrinvanadyl complex: X-ray structure of Na2[(VO)2(ttha)](H2O)8, density functional theory calculations, and the kinetics of the formation of [(VO)2(ttha)]2− from ttha6− and Bis(maltolato)oxovanadium(IV). W. A. Howard, Z. N. Pickett, K. Pang 5:00 164. Coordination chemistry with versatile vanadium: Synthesis, characterization, and phosphatase inhibition of several new complexes. C. C. McLauchlan, B. A. Greiner, N. A. Dorner, E. A. Backhus

SUNDAY EVENING Section A Morial Convention Center Hall A Cotton Memorial Symposium

T. J. Marks and R. D. Adams, Organizers 7:00–9:00 165. Asymmetric hydrogenation of ketones catalyzed by iridium complexes of planar chiral phosphane thioether ligands. R. Malacea, L. Routaboul, S. Vincendeau, R. Poli, J-C. Daran, E. Manoury 166. Development of a closed cycle for CO2 reduction using low-valent oxophilic tungsten complexes. P. Chandrasekaran, U. Jayarathne, D. S. Clark, J. T. Mague, J. P. Donahue 167. Efficient oxidation of thiophene derivatives catalyzed by organomolybdenum and –tungsten oxido complexes. C. Dinoi, M. Ciclosi, S. Vincendeau, R. Poli, L. Gonsalvi, M. Peruzzini 168. Exploration of systems for thiirane synthesis by metal-mediated sulfur atom transfer to olefins. M. C. Shaw, Y. Tran, J. P. Donahue 169. Regarding the iron-iron hydrogenase H-cluster: Characterization of an iron carbonyl dimer with an NS2{prime} trischelating ligand. D. Y. Melgarejo, S. A. Koch 170. Similarity in structure and difference in electronic nature between Co-Mo-Co and Rh-Mo-Rh bonds in dithiolato-bridged cluster complexes. S. Muratsugu, H. Nishihara 171. Synthesis and study of multimetallic complexes with dithiolene, bis(phosphine), and diimine connecting ligands. K. Arumugam, P. Chandrasekaran, M. C. Shaw, T. G. Gray, J. T. Mague, J. P. Donahue 172. Synthesis of bulky tripticyl thiolate for the stabilization of mononuclear copper thiolate complexes. A. Manepalli, J. P. Donahue

Section B Morial Convention Center Hall A Coordination Chemistry—Characterization and Applications

W. A. Howard, Organizer 7:00–9:00 173. Development of caged-complexes for Zn2+. T. R. Friss, S. C. Burdette 174. Homoleptic Hg(II) and Cd(II) complexes with mixed donor macrocylic ligands: The oxophobicity of mercury(II). G. J. Grant, M. E. Botros, J. Hassler 175. Structures and stabilities of copper alkene complexes: Relative binding strengths of different isomers of cyclododecatriene to copper triflate. B. J. Bellott, G. S. Girolami 176. pH-Dependent relaxivities of Mn(II) and Cu(II) complexes of pendant-arm polyamine macrocycles. S. A. Siddiqui, P. I. Chipendo, T. D. Westmoreland 177. Model complexes of the CuZ center from nitrous oxide reductase. L. Yang, R. P. Houser 178. Characterization, properties, and kinetics of the copper(II/I) complexes of macrocyclic hexathiaether ligand [21]aneS6. C. P. Kulatilleke


179. Control of the electronic structures based on a tempo-functionalized ligand and its platinum complex. T. Kusamoto, S. Kume, H. Nishihara 180. Kinetics of two-electron/halogen atom self-exchange reactions of [PtIIL4]2+ / trans-[PtIVL4X2]2+ (X=Cl, Br, I) systems. V. A. Scavera, T. D. Westmoreland 181. Synthesis, characterization and studies of complexes of Pt(II) with several substituted acetamide-oximes. N. N. Gerasimchuk, J. Ratcliff, V. L. Kolesnichenko, C. Cheadle 182. Water-soluble Fe8-clusters as potential MRI contrast agents. S. Das, I. Chakraborty, R. G. Raptis 183. Synthesis of Ruthenium(II) complex having 2,2’-bipyridine and 4-methy-2(phenylazo)pyridine. K. Hansongnern, C. Pakawatchai, D. Sooksawat 184. Supramolecular framework derived from (H2O)14 clusters and anionic organic acids showing embedded Mn(Phen)32+. C-H. Ge, X-D. Zhang, W. Guan, Z-B. Han, F. Yu, Q-T. Liu 185. Resolution of octanuclear iron-pyrazolate racemic mixtures. K. Gonzalez Nieves, R. Raptis 186. Iron coordination and redox chemistry of curcuminoids. J. Cho, D. P. Kennedy, F. Bou-Abdallah, N. D. Chasteen, R. P. Planalp 187. Inductive effects of cyclopentyldienyl substituents on osmium dihydrogen bonds. C. Flener, G. S. Girolami, G. Frenking, T. H. Dunning Jr. 188. Synthesis and fluorescence and cytotoxicity studies of rhenium (tricarbonyl) diimine complexes. S. K. Pramanik, D. A. Hill, D. K. Orsa, T. S. Taylor, G. K. Haynes, M. O. Iwunze, G. E. Greco, D. M. Ho, J. A. Krause, S. K. Mandal 189. Synthesis and characterization of molybdenum(VI) mono- and di-imido complexes with N-salicylidene-2-aminophenol. L. A. Arizpe, I. A. Guzei, M. Minelli 190. Synthesis and characterization of vanadium coordination complexes with the biomimetic ligands tris(1-pyrazolyl)methane (TPM) and tris(1-pyrazolyl)methanesulfonate (TPMS-). M. M. Betts, M. P. Weberski Jr., B. A. Greiner, C. C. McLauchlan 191. An expanded survey of supramolecular architectures: Transition metal directed helicates. D. A. Habboush, L. Farber, C. M. Aiuto 192. Interaction of organophosphonates with metalloporphyrin and metallocorrole derivatives. K. Kim, N. Maiti, D. G. Churchill 193. Metal coordination by polysiloxanephosphonate copolymers. S. Gallagher 194. Solid state cubane polymers with citrate ligands. L. R. Falvello, I. Mayoral, S. Sanz, T. Soler, M. Tomás 195. Synthesis, characterization, and coordination chemistry of a new library of watersoluble bidentate phosphines. D. A. Krogstad, K. E. Gohmann, T. L. Sunderland, V. G. Young Jr. 196. Utilizing hindered cavities formed by tripodal ligands to regulate exogenous ligand binding. L. A. Alexander, M. B. Jones, K. A. Kluge, C. E. MacBeth 197. Synthesis, structures, and electronic communication between two quinine groups in 3-D-metal complexes of naphthoquinone-attached N,N,N-tridentate ligands. Y. Hasegawa, H. Nakamura, S. Kume, H. Nishihara

Section C Morial Convention Center Hall A Poster Symposium Celebrating the Contributions by Larry Que and Ken Raymond

A. S. Borovik, S. S. David, D. W. Johnson, and A. E. V. Gorden, Organizers 7:00–9:00 198. Characterization and reactivity of two diiron(III,III) peroxo complexes formed from a single diiron(II,II) complex. J. R. Frisch, L. Que Jr.

INOR 199. Characterization of a diiron(IV) complex that attacks strong C-H bonds. D. Wang, A. Stubna, E. Münck, L. Que Jr. 200. Human deoxyhypusine hydroxylase is a diiron enzyme. V. V. Vu, J. P. Emerson, M. Martinho, Y. S. Kim, E. Munck, M. H. Park, L. Que Jr. 201. Gas phase intramolecular reactions of synthetic non-heme oxoiron(IV) complexes. R. Mas-Balleste, D. R. Reed, L. Que Jr. 202. Hydrocarbon oxidation by a functional model of ␣-KG-dependent enzymes. A. Mukherjee, X. Shan, L. Que Jr. 203. Iron-catalyzed arene cis-dihydroxylation modeling the action of Rieske dioxygenases in biodegradation. Y. Feng, C-Y. Ke, G. Xue, L. Que Jr. 204. Pathways to high-valent nonheme iron intermediates: Iron(IV) oxo and alkylperoxo species from a common precursor. A. T. Fiedler, L. Que Jr. 205. Synthetic models for the myo-inositol oxygenase FeIIFeIII active site. F. Li, Y. Dong, M. Chakrabarti, E. Münck, L. Que Jr. 206. Synthetic precedent for the [FeIV2(muO)2] diamond core proposed for methane monooxygenase intermediate Q. G. Xue, D. Wang, R. De Hont, A. T. Fiedler, X. Shan, E. Munck, L. Que Jr. 207. Understanding metal ion preference in a pair of extradiol dioxygenases. E. R. Farquhar, J. P. Emerson, E. G. Kovaleva, A. J. Fielding, J. D. Lipscomb, L. Que Jr. 208. Ortho-hydroxylation of benzoates by model nonheme iron complexes. P. Das, L. Que Jr. 209. Chemical and electrochemical activation of encapsulated redox enzymes. A. M. Barrows, B. G. Fox, J. W. Peters, M. J. Maroney, T. E. Elgren 210. Characterization of the vanadium(V) coordination complex with 2-hydroxybenzyl alcohol in aqueous solution and in microemulsions. B. Baruah, D. C. Crans, N. E. Levinger 211. A ligand competition approach to latent polyurethane catalysis. T. M. Garrett, X. X. Du, D. Gillis 212. Dioxygen activation by nonheme iron(II) and manganese(II) complexes. R. L. Shook, J. W. Ziller, A. S. Borovik 213. Effect of the secondary environment on the chemistry of Ni(II) complexes: Relevance to acireductone dioxygenases. K. Grubel, A. L. Fuller, A. M. Arif, L. M. Berreau 214. Reactivity studies of a Ni(II) enediolate complex. K. Rudzka, E. Szajna-Fuller, E. V. Rybak-Akimova, T. Borowski, A. M. Arif, L. M. Berreau 215. Stable isotopes reveal intracellular metabolic water. E. L. Hegg, H. W. Kreuzer-Martin, D. W. Podlesak 216. Thioester hydrolysis reactivity of a binuclear Fe(III)Zn(II) complex. J. J. Danford, P. Dobrowolski, L. M. Berreau 217. [4Fe-4S]2+ Cluster in the Base Excision Repair glycosylase AfUDG. L. M. Engstrom, O. A. Lukianova, S. S. David 218. Studies of a dihydroxamate-dinitrosyl intermediate in the electrocatalytic reduction of NO by Ferrioxamine B. S. R. Smith, D. B. Lawson 219. Kinetics of iron release from the ferric binding protein from Neisseria gonorrhoeae by nitrilotriacetic acid. W. R. Harris, P. Xiong, R. T. A. MacGillivray, Y. Horimoto 220. Halogenase and dehalogenase activities of encapsulated peroxidases. V. S. Sukharev, C. M. Clark, S. M. Fasulo, T. E. Elgren 221. DNA-based asymmetric catalysis. G. Roelfes, A. J. Boersma, D. Coquiere, B. L. Feringa 222. Biomimetic hydrocarbon oxidations catalyzed by nonheme iron(III) complexes with peracids. S. H. Kim, S. H. Lee, H. Kwak, Y. M. Lee, B. K. Park, Y. J. Lee, J. Y. Jun, C. Kim 223. Olefin cis-dihydroxylation catalyzed by bioinspired nonheme iron compounds. D. Tiegs

224. Nonheme iron compounds mediate the aziridination of alkenes and the amidation of alkanes. K. L. Klotz, L. M. Slominski, V. M. Gottsacker, M. Riemer, J. A. Phillips, J. A. Halfen 225. Robust and highly efficient nonheme manganese(III) complexes to hydrocarbon oxidations. S. H. Lee, J. I. Poong, H. J. Kim, H. Kwak, Y. M. Lee, B. K. Park, Y. J. Lee, E. Y. Kim, J. H. Lee, C. Kim 226. Petrobactin-mediated iron transport in pathogenic bacteria. R. J. Abergel, A. M. Zawadzka, K. N. Raymond 227. Steric and electrostatic recognition of ferric siderophores by siderocalin. T. M. Hoette, K. N. Raymond 228. Use of mass spectrometry for characterization of siderophore-binding receptor proteins for iron acquisition in gram-positive bacteria. A. M. Zawadzka, R. Nichiporuk, R. J. Abergel, K. N. Raymond 229. An E-MAP of kinase and phosphatase signaling in Saccharomyces cerevisiae. D. Fiedler, N. Krogan, K. M. Shokat 230. A new family of tridentate and tetradentate ligands with indole, dibenzofuran and digenzothiophene as donor groups. M. Fujita, D. E. Foster, K. G. Perkins, A. Ali, A. M. Summitt, J. N. Stubblefield 231. Coordination chemistry of the periplasmic copper trafficking protein CusF. A. V. Davis, Y. Xue, G. Balakrishnan, J. P. Stasser, T. G. Spiro, J. E. Penner-Hahn, T. V. O’Halloran 232. Aza-Cope rearrangement of propargyl enammonium cations catalyzed by a self-assembled host. C. J. Hastings, R. G. Bergman, K. Raymond 233. Synthesis and analysis of a new class of hydrogen bonding receptors incorporating phenyl acetylene scaffolds. C. Stimpson, O. B. Berryman, C. A. Johnson II, D. W. Johnson, M. M. Haley 234. Analysis of host deformation upon guest encapsulation in a highly-charged supramolecular assembly. M. D. Pluth, D. W. Johnson, A. V. Davis, G. Szigethy, S. J. Teat, A. G. Oliver, R. Bergman, K. N. Raymond 235. Favorable pendant-amino metal chelation in VX nerve agent model systems. I. Bandyopadhyay, M. Kim, Y. S. Lee, D. G. Churchill 236. Gd hydroxypyridonate based macromolecular high relaxivity contrast agents for MRI. A. Datta, J. M. Hooker, D. W. Romanini, D. van der Poll, A. Almutairi, J. D. Pierce, M. Botta, S. Aime, M. B. Francis, J. M. J. Frechet, K. N. Raymond 237. Ln3+ Maltol chelates as NIR luminescence agents and synthesis of water soluble Hydroxypyridinone MRI contrast agents. J. D. Pierce, C. J. Jocher, A. Datta, E. G. Moore, K. N. Raymond 238. Effects of a triazacyclononane ligand cap on hydroxypyridonate Gd(III) complexes as high-relaxivity MRI contrast agents. E. J. Werner, M. Botta, A. Datta, J. D. Pierce, S. Aime, K. N. Raymond 239. Synthesis and solution thermodynamics of mixed 1,2-, 3,2-, and 3,4-HOPO-based gadolinium chelates for highly stable MRI contrast agents. B. L. Schottel, A. Datta, J. D. Pierce, D. Wellman, K. N. Raymond 240. Anion-␲ interactions with complex anions: A computational study. B. L. Schottel, I. D. Giles, H. T. Chifotides, L. M. Pérez, K. R. Dunbar 241. Predicting the effects of ligand modifications on Tb3+ emission. A. P. S. Samuel, J. Xu, K. N. Raymond 242. Optimization of 1,2-HOPO sensitized Europium luminescence. A. D’Aléo, E. G. Moore, J. Xu, K. N. Raymond 243. Hexastranded tetranuclear luminescent Eu(III) helicates. J. Xu, E. G. Moore, C. J. Jocher, K. N. Raymond


244. From the visible to NIR: Efficient sensitization of Ln(III) luminescence with 1,2and 3,2-HOPO’s. E. G. Moore, J. Xu, S. C. Dodani, K. N. Raymond 245. NIR-emitting lanthanide helicates. O. Osetska, M. Albrecht, R. Fröhlich, F. Gumy, A. Aebischer, J-C. Bünzli 246. Synthesis, reactivity, selectivity and extraction studies of uranyl-Schiff base complexes. M. S. Bharara, K. Heflin, S. Tonks, K. Strawbridge, A. E. V. Gorden 247. Combinatorial method to synthesize 2-quinoxalinol salen and unsymmetric 2-quinoxalinol salen ligands. X. Wu, A. E. V. Gorden, J. Z. Vilseck

Section D Morial Convention Center Hall A Environmental Aspects of Inorganic Chemistry Cosponsored by ENGENV

D. C. Crans, Organizer 7:00–9:00 248. Catalytic transformation of aliphatic C(sp3)-F bonds to carbon-hydrogen and carbon-carbon bonds. C. Douvris, O. V. Ozerov 249. Environmental monitoring of water sources using American honey bees. D. James, M. D. Johnson 250. Modified titanium dioxide for improved photocatalysis. B. L. Oliva, M. Leefe, M. A. Tarr

Section E Morial Convention Center Hall A Inorganic Catalysts

K. Kustin, Organizer 7:00–9:00 251. Electronic structure of the Si(111)-√ 3 x√ 3- Ag surface. X. Liu, H. Guo, C. Meng 252. A mechanistic development for catalytic hydrogen evolution from the classic Fe2 dimer [(␩5-C5H5)Fe(CO)2]2. A. K. Vannucci, G. A. N. Felton, N. Okumura, L. T. Lockett, R. S. Glass, D. H. Evans, D. L. Lichtenberger 253. Carbocyclic carbene complexes of palladium: Synthesis, structure, and catalysis. C. Taubmann, K. Öfele, E. Tosh, S. K. Schneider, E. Herdtweck, S. D. Hoffmann, W. A. Herrmann 254. Catalytic activation of dioxygen by (nitro)cobalt porphyrins imobilized on Nafion films. D. Kavanagh, J. A. Goodwin, T. S. Kurtikyan 255. Catalytic activity of the soluble transitionmetal phthalocyanine dimers in oxidation reactions. R. Subbotin, J. A. Jones, V. N. Nemykin 256. Catalytic aerobic oxidation of small molecule substrates using manganese complexes containing redox-active ligands. C. J. Rolle III, J. D. Soper 257. Comparison of the catalytic activity of Pt phosphinito nitirile hydration catalysts. T. J. Ahmed, D. R. Tyler, B. R. Fox 258. First principles study on CCl4 dissociation on Ag(111) surface. X. Liu, H. Guo, C. Meng 259. Investigation of the mechanism of N2 reduction using iron phosphine complexes. J. L. Crossland, R. B. Yelle, D. R. Tyler 260. Sol-gel synthesis and characterization of alumina supported nanoparticle CuO-NiOCeO2 catalysts for water-gas-shift (WGS) reaction. R. S. Garudadri, R. A. M. Jayasingha, U. Siriwardane, N. V. Seethala 261. Studies toward the formation of enantioselective Pd(P∼P-) catalysts. P. P. Pitroda, E. M. Sisler, Q. D. Shelby 262. Synthesis of silica supported Zr(IV) chiral complexes for use as heterogenous catalysts. J. A. Torres, Y. Garcia, T. Chin, D. Anderson, W. Tikkanen 263. Water oxidation catalysis involving μ-oxo ruthenium polypyridyl complexes. J. W. Jurss, J. Concepcion, T. J. Meyer

Section F Morial Convention Center Hall A General Inorganic Chemistry

R. P. Houser, Organizer 7:00–9:00 264. Progress toward the synthesis of bifunctional biphenyl-based hydroxy imine ligands as monomers for 1-D organicinorganic polymers. T. Doleck, R. Isovitsch 265. Synthesis and crystallographic studies of a series of AMD3100 analogs. T. J. Hubin, R. D. Maples, J. D. Silversides, S. J. Archibald 266. Bis(o-ethyl-L-cysteinato)zinc(II) as a model for metal ion exchange in zinc finger proteins. T. Mendoza, E. Giorgis, Z. Yang, J. W. Merkert, M. L. Golden 267. BODIPY-borane assembly for the selective sensing of cyanide ion. M. H. Lee, J. O. Huh, M. H. Park, Y. Do 268. Coordination chemistry of a novel, monotopic ferrocene-based bis(pyrazolyl)methane ligand. K. J. Brown, L. Folarin, L. Burnette, D. L. Reger 269. Cyclotrimerization of disubstituted alkynes with nickel complexes bearing zwitterionic amido donor ligands. M. E. Doster, S. A. Johnson 270. Designing ionic liquids with boron cluster anions: Closo-carborane and ortho-carborane salts of N-alkyl pyridinium and N, N’ – dialkyl imidazolium cations. A. Larsen, J. J. Dymon Jr., J. D. Holbrey, R. E. Wibby, J. Kleingardner 271. Detection and decomposition of organophosphorous species by polymer bound enzyme models. A. Mangalum, R. C. Smith 272. Development of new substituted tris(pyrazolyl)methane ligands. P. E. Sattelberg, C. C. Raymond 273. Development of prochelators as probes of iron-induced oxidative stress. L. M. Hunt, K. J. Franz 274. Diboranamides: A new class of chelating ligands for transition metals— M(H3BNMe2BH3)2, M = Ti, Cr, Mn, and Mo. L. M. Pérez, M. B. Hall, C. Beddie, D. Y. Kim, G. S. Girolami 275. Electrical characterization of thin films of ruthenium cis-bis-bipyridinium dichloride. J. Kannan, R. Ramnarayanan 276. Electrochemical and spectroelectrochemical properties of several air sensitive niobium complexes obtained in imidazolium base ionic liquids. V. Katovic, M. May, J. DeCerbo, A. Topper, B. Popp, H. Dyar, H. Krall 277. Interactions of cisplatin and methioninerich peptide domains of the human highaffinity copper transporter Ctr1. S. E. Crider, K. J. Franz 278. Kinetics of electron transfer reactions in a reverse micelle. B. B. Lorenz, D. Crans, M. D. Johnson, A. Trujillo 279. Location and pKa’s of ruthenium(II) complexes in reverse micelles. B. Lemons, M. D. Johnson, D. Crans 280. Low coordinate, metal stabilized phosphorus (I) ligands: Synthesis and remarkable reactivity of the first thermally stable, neutral, electrophilic phosphinidene complexes of vanadium [CpV(CO)3({eta}1PNR2)]. T. W. Graham, K. Udachin, A. J. Carty 281. Multielectron bond-forming reactions at new square planar cobalt complexes with redox-active ligands. A. L. Smith, J. D. Soper 282. Noninnocent ligands as electron reservoirs in reactions of oxorhenium(V) complexes. C. A. Lippert, J. D. Soper 283. Octanuclear iron-pyrazolate complexes as templates for host-guest systems. I. Rodriguez-Escudero, R. G. Raptis 284. Preparation of guanidinate complexes from the insertion of carbodiimide CyN=C=NCy into Zr-amide bonds in Zr(NMe2)4, (Me2N)3Zr-N(SiMe3)2, and (Me2N)3Zr-Si(SiMe3)3. S-J. Chen, Z-L. Xue 285. Preparation of metal complexes containing FTp ligands. R. L. Koenigstein, C. C. Raymond

TECH–77

TECHNICAL PROGRAM

INOR Section G Morial Convention Center Hall A Frontiers in Organometallic Chemistry

B. T. Donovan-Merkert, Organizer 7:00–9:00 286. New heterobimetallic chemistry of potassium: Synthesis, structures and reactivity. R. E. Mulvey, B. Conway 287. Reactions of a zerovalent platinum carbonyl complex with primary silanes. A. Hines, S. Schreiner 288. Density functional theory study of C6-selective Cr-PNP catalysts for ethylene trimerization. M. Cheong, N. H. Ko, H. S. Kim, T. K. Han, M-A. Ok, S. O. Kang, K. N. Houk 289. Mechanism of the iridium-catalyzed allylic carbon-hydrogen bond activation based boronation reaction of unactivated cycloalkenes. V. J. Olsson, K. J. Szabo 290. Mechanistic studies of the palladium pincer complex-catalyzed condensation of sulfonimines and isocyanoacetate to imidazoline derivatives. J. Aydin, K. S. Kumar, K. J. Szabo 291. Olefin metathesis as an inorganic synthetic tool: Cross and ring closing metathesis reactions of diruthenium-bound ␻-alkene-␣-carboxylates. S. Davis, W. Chen, P. Fanwick, T. Ren 292. Palladium catalysts for room temperature activation of aryl chlorides. C. S. J. Cazin, O. Diebolt, S. P. Nolan, P. Braunstein 293. Palladium catalyzed oxidative trifluoroacetoxylation of non-activated sp3-carbonhydrogen bonds: Trifluoroacetoxy-directing group and preference for methylene vs. methyl oxidation. I. Göttker-Schnetmann, X-F. Hou 294. Theoretical modeling of Mössbauer, EPR, and UV-Vis spectroscopic parameters in neutral, mixed-valence, and doubly oxidized biferrocenes using density functional theory (DFT) and time dependent DFT. R. G. Hadt, V. N. Nemykin 295. TMP-zincate chemistry: Structural mapping of reactions with nitriles. R. E. Mulvey, L. M. Hogg

Section H Morial Convention Center Hall A General Organometallic Chemistry

B. T. Donovan-Merkert, Organizer 7:00–9:00 296. Electrochemistry studies of [Rh{(R,R)(Et-FerroTANE}(COD)]+. M. Hurkes, I. Liversedge, B. T. Donovan-Merkert 297. Molecular epoxidation catalysts with a pyridylalkoxide framework: Synthesis, structures, and their catalytic properties. G. D. Frey, E. Herdtweck, W. A. Herrmann 298. Synthesis and reactivity of CpRu(C3H2N2(CH3)2)2Cl. A. B. McGarrahan, M. J. Shaw 299. Synthesis of novel transition metal catalysts for olefin polymerization. K. Quinn, A. D. H. Marchetti, S. Schreiner 300. Synthesis, reactivity and spectroelectrochemistry of [CpRu(PPh3)2(␩1alkynone][B(C6H2(CF3)2)4] complexes. B. M. Schutte, M. J. Shaw, S. W. Bryant, J. E. Eilers 301. Tetrametallic tungsten carbonyl complexes composed of phosphido-bridged units linked by ditertiary phosphines. R. L. Keiter, E. A. Keiter, W. Zhang, M. E. McGuire, P. N. Perera, D. F. Zigler, K. A. Wheeler, A. L. Rheingold 302. Transfer dehydrogenation reaction of alkanes: Unusual aspects of selectivity. S. Biswas, R. Ahuja, A. Ray, Y. Choliy, K. Krogh-Jespersen, M. Brookhart, A. S. Goldman 303. Unexpected C-C bond cleavage and C-C bond formation observed in the reaction of a cationic iridium complex with heteroatom-substituted cyclopropanes. M. R. Anstey, C. M. Yung, J. Du, R. G. Bergman

78–TECH

304. Unsymmetrical zirconacyclopentadienes from monoalkynylphosphine zirconocene reagents. A. D. Miller, S. Johnson, K. A. Tupper, J. McBee, T. D. Tilley 305. X-ray diffraction studies: Chugaev palladium carbenes with electron-deficient aromatics. I. M. Sluch, L. M. Slaughter 306. Structural diversity in gold and silver complexes of N/O-functionalized N-heterocyclic carbenes: From large 12-membered macrometallacycles to ionic [(NHC)2M]+Cl− (M=Ag, Au) type complexes by modulation of amido-functionalized sidearm substituents. M. K. Samantaray, P. Ghosh 307. Study of the synthesis and chemistry of manganese and rhenium complexed 5-membered ring analogs of ortho-quinone methide. C. M. Loeschel, N. T. Allison 308. Synthesis and characterization of arylsubstituted allyl ligands and their metal complexes. C. K. Gren, T. P. Hanusa 309. Synthesis and complexation of a novel bidentate anthraquinone. D. P. Engelhart 310. Reactivity of a nucleophilic mercuryrhodium cluster complex. W. J. McCarty 311. Residual and delay studies of some 2,2,3,3-tetramethylcyclopropanecarboxylates on mosquito larvae. G. Eng, X. Song, A. Zapata, O. Atchade, J. Hoerner

Section I Morial Convention Center Hall A Metal-Organic Frameworks: What are They Good for

W. Lin and H-C. Zhou, Organizers 7:00–9:00 312. Radiation detection materials based on metal-organic frameworks. M. D. Allendorf, C. A. Bauer, F. P. Doty 313. Synthesis, single crystal X-ray crystallography, and properties of Cu complexes with TCNQBr2. H. Zhao, N. Lopez, A. V. Prosvirin, E. W. Reinheimer, K. R. Dunbar 314. A microporous metal-organic framework with high hydrogen and methane storage capacities. X-S. Wang, S. Ma, D-Q. Yuan, H-C. Zhou 315. Carbon dioxide adsorption in flexible coordination polymers. J. T. Culp, M. R. Smith, E. W. Bittner, B. C. Bockrath 316. Co-crystal controlled solid-state synthesis, structure and coordination chemistry of an extended dicarboxylic acid, H2BIPADC. J. A. Perman, Z. Wang, M. L. Cheney, M. J. Zaworotko 317. Crystalline microporous lanthanide organophosphonates. J. Liang, G. K. H. Shimizu 318. Detection of super cooled water in MOF-5 monitored with terahertz spectroscopy. R. A. Fischer, F. Schroeder, K. Schroeck, M. Havenith-Newen 319. Flat rectangular building blocks made from derivatives of bis(pyridylimino)isoindoline for the construction of porous materials. D. M. Baird, R. Wheeler, P. E. Fanwick, N. Rampersaud 320. Heavy metal coordination networks constructed from 1,1’-cyclohexanediacetic acid. R. Cao 321. Highly tunable porphyrin frameworks as hydrogen storage materials. C. A. Wray, P. M. Barron, E. Y. Choi, R. W. Novotny, W. Choe 322. Imidazolate based metal organic frameworks. D. Banerjee, P. M. Forster, J. B. Parise 323. Magnesium based metal-organic frameworks. S. Kaskel, I. Senkovska 324. Metal-organic frameworks as hydrogen storage materials. D. Tranchemontagne, H. Furukawa, O. M. Yaghi


325. Metal-organic frameworks from a carboxylate tris(dipyrrinato) metalloligand. S. J. Garibay, J. Stork, Z. Wang, S. M. Cohen 326. Microporous phosphonate. G. K. H. Shimizu 327. Nanosized pores of metal-organic frameworks (MOFs): A new place to perform reactions in nanoscale. E. Choi, O. M. Yaghi 328. New strategies toward chiral porous metal-organic frameworks. S. Wu, L. Ma, L-S. Long, L-S. Zheng, W. Lin 329. Pd and Pt pyridylacetylacetone complexes as precursors for supramolecular metal-organic materials. O. T. Cummings, Y. S. Marcos, L. Cooper, C. Pariya, U. Siriwardane, A. W. Maverick 330. Ruthenium nanoparticles inside MOF-5: Evidence of a caging effect of MOF-5. F. Schroeder, D. Esken, M. W. E. van den Berg, R. A. Fischer 331. Supermicroporous silica-based SiO2Al2O3-NiO materials: Solid-state NMR, NMR relaxation and magnetic susceptibility. V. I. Bakhmutov, B. G. Shpeizer, A. V. Prosvirin, K. R. Dunbar, A. Clearfield 332. Synthesis and application of electrochemiluminescent iridium(III) complexes containing various ␣-diimine ligands. S. H. Kim, S. Hong, J. M. Lee, D. N. Lee, Y. M. Jun, W-Y. Lee, B. H. Kim 333. Synthesis of derivatives of m-phenylenebis(acetylacetone) for molecular squares. J. Cherutoi, J. Sandifer, J. H. Edwards, F. R. Fronczek, A. W. Maverick 334. Toward the synthesis of molecular squares and molecular cubes. C. Pariya, F. R. Fronczek, A. W. Maverick

Section J Morial Convention Center Hall A Inorganic Materials in Nanoscience— Synthesis

D. J. Nelson, Organizer H. L. Rhoads and T. Sakai, Presiding 7:00–9:00 335. One step synthesis of functionable nanoparticles as MRI contrast agents. J. Xie, C. Xu, S. Sun 336. New synthetic methods to efficient nanoporous catalysts by solvent-assisted grafting and probing of their site-isolation on mesoporous materials. T. Asefa, K. K. Sharma, R. Buckley, H. M. Dam 337. Synthesis mechanism of anatase crystalline mesoporous titania from industrial titanyl sulfate solution. C-X. Tian Sr. 338. Synthesis, characterization and property studies of the metal-containing nanoporous organosilicate as cyclo hexene epoxidation catalyst. T. Mehreteab 339. Hexagonal-structured self-assemblies of nanocrystalline titania templated by cetyltrimethyammonium bromides: Pore-size control. T. Sakai, H. Yano, H. Shibata, N. Koshikawa, S. Adachi, H. Sakai, M. Abe 340. Bioinspired fluorescent and metal nanoparticle-doped silica particles. C. A. Bauer, B. A. Simmons 341. Size and shape control of nanoscale gold by alkalide reduction. C. Yan, M. J. Wagner 342. Superparamagnetic nanocrystal with dendron shell suitable for catalytic application. S. Y. Grisham, D. A. Vicic, R. E. Gawley, X. Peng 343. Surface complexation and colloid stability of magnetite nanoparticles. V. L. Kolesnichenko, B. Jackson, G. Goloverda 344. Synthesis and magnetic properties of CuNi nanoparticles. J. S. Pritchett, C. D. Romanczuk, D. F. Reed, D. E. Nikles 345. Synthesis of novel core-shell nanoclusters for quantum dot sensitized solar cell applications. R. Denomme, B. D. Fahlman 346. Using molecular precursors for the preparation of Pd/Co and Pd/Cu-alloy nanoparticles. R. Montano, R. G. Raptis 347. A general, versatile method to synthesize 1-D transition metal oxide arrays. H. Zhou, S. S. Wong

348. Controlled molecular weight organoboron polymers prepared by reversible additionfragmentation chain transfer (RAFT) polymerization. J. N. Cambre, D. Roy, S. R. Gondi, B. S. Sumerlin 349. Laponite nanohybrid films for solar cell applications. W. F. Hoek, D. M. Karlin, J. D. Kehlbeck, M. E. Hagerman 350. Zinc oxide growth using selectively binding peptide. K. N. Bergman, M. K. Gupta, R. R. Naik, V. V. Tsukruk

Section K Morial Convention Center Hall A Nanoscience—Characterization and Applications

D. J. Nelson, Organizer H. L. Rhoads and C. Brammer, Presiding 7:00–9:00 351. For consistent characterization, a SWNT cocktail should be shaken, not stored. H. L. Rhoads, C. Brammer, D. J. Nelson 352. Investigating semiconductor-photosensitizers using N3 dye analogs. S. Lense, D. Stockwell, T. Lian, C. E. MacBeth 353. Phosphatidylcholine-stabilized metal nanoparticles phase-transfer from organic to aqueous solvents and back without added reagents or chemical modification. M. R. Mackiewicz, B. R. Ayres, P. R. Joseph, S. M. Reed 354. Atomic resolution microanalysis of inorganic nanostructure materials. N. R. Birkner, S. M. Steinberg, T. Hartmann, L-Z. Ma, R. J. Fairhurst 355. In situ heating studies of the crystallization and melting behavior of silicon nanoparticles by transmission electron microscopy. S. L. Pitigalaarachchige, Y. Liu, S. Shinozaki, C. H. Winter 356. Tailoring the optical and catalytic properties of gold-silver nanoboxes and nanocages by introducing palladium. C. M. Cobley, D. J. Campbell, Y. Xia 357. Fabrication of photosensitive polymer nanowires. J. Zhang, J-H. Lim, J. B. Wiley 358. Fabrication and characterization of Ni-Co core-shell nanowires in porous anodic alumina membranes. J-H. Lim, O. Trusca, S. L. Whittenburg, L. Spinu, J-S. Jung, J. B. Wiley 359. Ordering of nanospheres on porous membranes. J-H. Lim, J-S. Jung, E-M. Kim, S-I. Oh, J. B. Wiley 360. Synthesis and characterization of indium doped magnetite nanoparticles for application to radiotracer fate studies. A. Pradhan, M. A. Tarr 361. Preparation and characterization of nanoscale bimetallic particles for dechlorination of chlorinated methanes. X. Wang, H. Liu, N. Zhang, X. Cheng 362. Synthesis of bulk nanostructured silicon for thermoelectric power generation applications. S. K. Bux, R. G. Blair, C-K. Huang, P. Gogna, R. B. Kaner, J-P. Fleurial 363. Bulk nanoskutterudite for thermoelectric power generation. D. J. King, S. K. Bux, P. Gogna, R. B. Kaner, J-P. Fleurial 364. Advanced materials for high resolution soft lithography. K. Choi 365. Bacteriorhodopsin adsorbed on silver bromide nanocrystals as an optical trigger. V. Zakharov, I. Kudryavtsev, L. Aslanov 366. CdSe Nanoribbons as photocatalysts for hydrogen evolution from water. F. A. Frame, M. Sarahan, E. C. Carroll, D. S. Larsen, N. D. Browning, F. E. Osterloh 367. Optimized heat generation of Mn-ferrite nanoparticles by ac magnetic field for magnetic hyperthermia using multifunctional particles. D-H. Kim, Y. T. Thai, D. E. Nikles, C. S. Brazel 368. pH-Responsive cucurbit[6]uril-based nanovalves operating in water. S. Angelos, Y-W. Yang, N. Khashab, K. Patel, J. F. Stoddart, J. I. Zink


INOR 369. Self-assembled nanopore: Thin porous alumina membrane for molecular electronics application. S. Yasuhiro, S. Takami, Y. Wakayama, T. Chikyow 370. Self-assembly of host-guest pairs on gold surfaces. Y. Yao, S. Liu, M. J. Latter, B. C. Gibb, J. B. Wiley 371. Template synthesized of metal oxides and conductive polymer with various composite nanostructures by one step coelectrodeposition. R. Liu, S. B. Lee 372. Carbon nanomaterials protect against radiation induced cellular damage. V. C. Moore, J. L. Conyers, R. Lucente-Schultz, A. Leonard, J. M. Tour

3:30 384. Catalytic framework materials. H. Lee, S-H. Cho, E-H. Ryu, O. K. Farha, S. T. Nguyen, J. T. Hupp 4:00 385. Hydrogen storage in microporous metal-organic frameworks with exposed metal sites. M. Dinca, S. S. Kaye, H. J. Choi, A. Demessence, J. R. Long 4:30 386. Unusual gas sorption properties of metal-organic porous materials. K. Kim 5:00 387. Soft molecular frameworks by design. M. D. Ward

Section B

MONDAY MORNING


Section A


Morial Convention Center La Louisiane, Blrm. C

T. J. Marks and R. D. Adams, Organizers C. A. Murillo, Presiding

ACS Awards to Inorganic Chemists

K. R. Dunbar and D. Crans, Organizers K. Bowman-James, Organizer, Presiding 8:10 373. Award Address (ACS Award in the Chemistry of Materials, sponsored by E. I. du Pont de Nemours & Company). Nanoscale building blocks for mesoscopic inorganic materials. T. E. Mallouk 8:45 374. Award Address (ACS Award for Distinguished Service in the Advancement of Inorganic Chemistry, sponsored by Strem Chemicals, Inc). Interface engineering in molecule-derived electronics and opto-electronics. T. J. Marks 9:20 375. Award Address (F. Albert Cotton Award in Synthetic Inorganic Chemistry, sponsored by the F. Albert Cotton Endowment Fund). Exploratory synthesis: The fascinating and diverse chemistry of polar intermetallic phases. J. D. Corbett 9:55 376. Award Address (Frederic Stanley Kipping Award in Silicon Chemistry, sponsored by Dow Corning Corporation). Transition metals in silicon chemistry. T. D. Tilley 10:30 377. Award Address (ACS Award in Organometallic Chemistry, sponsored by Dow Chemical Company Foundation). Organometallic chemistry across the Periodic Table: From an investigation of the interaction of X–H bonds with transition metals to a functional model for mercury detoxification. G. Parkin 11:05 378. Award Address (ACS Award in Inorganic Chemistry, sponsored by Aldrich Chemical Company, Inc). M is for metals, medicine and superMolecular. K. N. Raymond 11:40 379. Award Address (Alfred Bader Award in Bioinorganic or Bioorganic Chemistry, sponsored by Alfred R. Bader). Snapshots of the nonheme oxoiron(IV) reaction landscape. L. Que Jr. 12:15 380. Award Address (Francis P. Garvan-John M. Olin Medal, sponsored by the Francis P. Garvan-John M. Olin Medal Endowment). Protein nanocage (Ferritin) sites that control Fe2+ entry and exit Protein nanocage (Ferritin) sites that control Fe2+ entry and exit. E. C. Theil

MONDAY AFTERNOON Section A Morial Convention Center Rm. R01 Metal-Organic Frameworks: What are They Good for

W. Lin and H-C. Zhou, Organizers L. MacGillivray, Presiding 2:00 381. Open frameworks based on amino acids. M. J. Rosseinsky 2:30 382. Rational assembly of dynamic porous and magnetic metal-organic frameworks. X-M. Chen 3:00 383. Mesh-adjustable molecular sieves (MAMS) based on metal-organic frameworks for gas separations. S. Ma, D-Q. Yuan, H-C. Zhou

2:00 388. Catalysis by Au and Au alloys: From single crystals to nanoparticles. D. W. Goodman 2:30 389. Organnometallic hydroxides: The neglected precursor for efficient catalysts. H. W. Roesky 3:00 390. Organometallic activation of polyphenols: A new paradigm in metal-based drugs. G. Jaouen, S. Top, E. A. Hillard, A. Vessieres 3:30 391. Luminescent organometallic complexes and polymers for light-emitting and photovoltaic applications. W-Y. Wong 4:00 392. Oxidation state determination via structure analysis: Can it be trusted? W. Kaim 4:30 393. Preparation and metal-metal bonding in organometallic Rh(III) paddlewheel complexes. J. M. Nichols, J. Wolf, R. Poli, M. P. Doyle, P. Y. Zavalij 5:00 394. Synthesis and SAR of the first ferrocenyl derivatives of the nonsteroidal antiandrogen nilutamide. A. Vessieres, S. Top, O. Payen, G. Jaouen

Section C Morial Convention Center Rm. R03 Celebrating Bioinorganic, Supramolecular, Lanthanide and Actinide Chemistry with Ken Raymond Coordination Chemistry

Section D

Section F



Metals in Health and Disease Cosponsored by BIOL

ACS Award in Organometallic Chemistry: Symposium in Honor of Gerard F. R. Parkin

J. L. DuBois, Organizer, Presiding 1:25 Introductory Remarks. 1:30 404. Heavy metal complexation by de novo designed peptides. O. Iranzo, D. Touw, A. Peacock, M. Luczkowski, S. Chakravorty, J. Stucky, V. L. Pecoraro 2:00 405. Probing interactions of insulin enhancing vanadium compounds with lipid interfaces. D. C. Crans, M. A. Choudhary, E. Gaidamauskas, B. Baruah, S. J. Bonetti, S. S. Eaton, N. E. Levinger, D. A. Roess, G. R. Willsky, S. Distin, R. Gordon, A. G. Sostarecz 2:20 406. Identification of a novel cisplatinRNA adduct. V. J. DeRose, E. Chapman, A. Hostetter 2:40 407. Development of caged complexes for the study of zinc metalloneurochemistry. S. C. Burdette, H. M. D. Bandara, T. R. Friss 3:00 Intermission. 3:05 408. Zinc and copper in Alzheimer’s disease. A. I. Bush 3:35 409. Role of the active site zinc ion of matrix metalloproteinases in enzyme activation and its subversion in the process of selective inhibition. S. Mobashery 4:05 410. Structural-dynamic analysis of metalloproteases: Application to drug design. I. Sagi 4:25 411. Schistosomal hemozoin-mediated lipid peroxidation. M. D. Carter, S. R. Harry, D. W. Wright 4:45 412. Microbial iron metabolism and human health: Targets for biocontrol. J. L. DuBois 5:05 413. Examining the role of metal chelation in zinc metalloprotein inhibitors. S. M. Cohen, A. Agrawal, D. Romero-Perez, J. Jacobsen, F. J. Villarreal 5:25 414. Siderocalin, a link between mammalian immunity and iron transport. R. J. Abergel, K. N. Raymond

Section E

D. M. Roddick and W. D. Jones, Organizers, Presiding 2:00 421. Acceptor phosphine platinum alkyl cation chemistry. D. M. Roddick, S. Basu 2:20 422. Polypeptides labeled with organoplatinum and organorhenium tris(pyrazolyl)borate complexes: Solid phase synthesis and characterization. M. C. Kuchta 2:40 423. Kinetics of hydrogen atom transfer from transition metal hydrides to olefins. J. R. Norton, J. W. Choi, J. Chin, L. Tang 3:00 424. Synthesis and reactivity of semirigid tridentate ligands on group 4 and 5 metals. J. E. Bercaw, T. Agapie, S. R. Golisz 3:20 425. Discovery of new homogeneous catalysts using high throughput techniques. V. Murphy 3:40 426. Discovery and development of new polyolefin catalysts using highthroughput techniques. G. Zhu 4:00 427. Activation of C-CN bonds in nitriles using nickel(0). W. D. Jones, T. A. Atesin, T. Li, S. Lachaize, J. J. Garcia 4:20 428. Big isocyanides and their complexes. B. J. Fox, Q. Y. Sun, A. R. Fox, J. S. Figueroa 4:40 429. Hooked on sulfur: New ligands, unexpected applications. D. Rabinovich 5:00 430. Organometallics for a brighter future: Ir and Pt complexes in organic LEDs. M. E. Thompson 5:20 431. Tetrathienyl-substituted borondipyrrins in metal ion sensing. D. G. Churchill, S. H. Choi, K. Pang, K. Kim 5:40 432. X-ray crystallographic and DFT structural analysis of chiral-at-metal titanium-salcean complexes. J. M. Tanski, S. N. MacMillan, C. Jung

Section G Morial Convention Center Rm. 217 Inorganic Materials in Nanoscience— Synthesis

A. S. Borovik, D. W. Johnson, and A. E. V. Gorden, Organizers


D. J. Nelson, Organizer

T. M. Hoette, Presiding

Multiferroic Materials

S. S. Wong and C. Barnes, Presiding

2:00 Introductory Remarks. 2:05 395. A computational study on ligandimposed preferences for the Bailar vs. Rây-Dutt twists in GaL3 complexes. M. E. Cass, H. S. Rzepa 2:25 396. Modifying MOFs: Chemical derivatization of coordination solids. S. M. Cohen, Z. Wang 2:55 397. Bis(␣-iminopyridine)metal complexes: Mixed valency in redox-noninnocent ligands. K. E. Wieghardt, C. C. Lu 3:25 398. Recent developments in the biomimetic chemistry of molybdenum and tungsten. R. H. Holm, S. Groysman, J-J. Wang, R. Tagore, S. C. Lee 3:55 399. Bioinspired nonheme iron and manganese oxidation catalysts in porous silica. T. J. Terry, P. Hung, J. Nakazawa, B. J. Smith, T. D. P. Stack 4:25 400. Functional model complexes of copper nitrite reductase. P. H. Walton, A. T. Ryan 4:55 401. The effects of the secondary coordination sphere on dioxygen binding and activation. A. S. Borovik 5:25 402. Chemical approaches to vg-Na ion channel study: Guanidinium toxins as tools. J. Du Bois 5:55 403. Novel transition metal-catalyzed approaches to lactones and diols. V. M. Dong

J. L. Musfeldt, Organizer

2:00 433. Advances in nanoparticle synthesis: Enhanced process control, real-time analysis, and high-throughput production using microscale flow reactors. L. C. McKenzie, H. Jin, D. Hutanu, C-H. Chang, V. T. Remcho, J. E. Hutchison 2:20 434. Biomimetic synthesis of As2O3 inside a viral capsid. M. Klem, M. Uchida, M. Young, T. Douglas 2:40 435. Large-area arrays of single-walled carbon nanotube rings with tunable diameters. S. Motavas, B. Omrane, C. Papadopoulos 3:00 436. Nanostructured material by swelling a layered zeolite precursor: A potential candidate for polymer nanocomposites and hybrid organic/inorganic materials. S. Maheshwari, E. Jordan, S. Kumar, F. S. Bates, R. L. Penn, D. F. Shantz, M. Tsapatsis 3:20 437. Nanostructured, single site catalysts: A general definition and methodology for their preparation. C. Barnes 3:40 438. Seeded-growth of gold nanocrystals on the filamentous biological templates. C. Mao, F. Wang, P. Qiu 4:00 439. Self-templated approaches to oxide microcapsules. Y. Yin, T. Zhang, Y. Hu, J. Ge

D. G. Schlom, Presiding 2:00 415. Multiferroic thin film heterostructures. R. Ramesh 2:30 416. Ferromagnetic insulator design strategies for oxide-based magnetodielectrics. M. A. Subramanian, A. E. Smith, B. R. Theobald, H. Mizoguchi 3:00 417. Charge-ordered ferroelectrics. D. Mandrus 3:30 418. Modifying the properties of perovskites via strain and interfacial effects in epitaxial heterostructures. H. M. Christen, D. H. Kim, H. N. Lee, M. D. Biegalski, C. M. Rouleau 4:00 419. New multiferroic materials based on 2-D frustrated lattices. C. R. Wiebe, H. D. Zhou, L. Balicas, J. S. Brooks, E. S. Choi, Y. J. Jo, N. S. Dalal 4:30 420. Symmetry and interactions in multiferroics. A. P. Ramirez


TECH–79

TECHNICAL PROGRAM

INOR 4:20 440. Silica and magnesia-based nanocomposites for high-temperature applications. T. Sanders, R. D. Solunke, P. Jarrett, G. Veser 4:40 441. Synthesis of metal nanoparticledecorated carbon nanotubes under ambient conditions. Y. Lin, K. A. Watson, S. Ghose, J. G. Smith Jr., J. W. Connell 5:00 442. Unusual photoelectronic effect from |Co(en)3|(Zr2F11H2O) mesoporous material containing H-bonded assembly of [Zr4F22O2]10- and [Co(en)3]3+. Y. Yang, Y. Du 5:20 443. Synthesis, characterization, photocatalytic activity and recycle of TiO2 spherical aggregates. M. Ye Sr., Z. Chen Sr.

Section H Morial Convention Center Rm. 221 Frontiers in Organometallic Chemistry

B. T. Donovan-Merkert and D. C. Crans, Organizers F. T. Ladipo, Presiding 2:00 444. Iron in a nitrogen ligand environment: Toward an FeIV nitride. D. Buschhorn, M. Pink, H. Fan, K. G. Caulton 2:20 445. Insights into the mechanism of reductive dehalogenation of chloroalkenes at cobalt centers from first-principles molecular dynamics simulations. M. Bühl 2:40 446. Mechanistic studies of the dehydrofluorination of fluorocarbons by titanium alkylidynes. A. R. Fout, B. C. Bailey, D. L. Miller, J. L. Scott, H. Fan, M. Pink, M-H. Baik, D. J. Mindiola 3:00 447. Use of transition metal complexes with high d-electron counts for the 1,2addition of C-H bonds across metalheteroatom bonds as a strategy for C-H functionalization. T. B. Gunnoe, Y. Feng, J. P. Lee, J. Gurkin 3:20 Intermission. 3:25 448. High-temperature controlled olefin polymerization behavior of titanium-based catalysts bearing arene-alkoxide and amide ligands. F. T. Ladipo, R. Eaves, L. Dyers, S. Parkin, R. R. Ketcham 3:45 449. Highly unsaturated cationic complexes of late transition metals. O. V. Ozerov, C. M. Fafard, Y. Zhu, D. G. Musaev, C. Douvris, C-H. Chen, B. M. Foxman, L. Fan 4:05 450. Alkali-metal-mediated organotransitionmetalation: A method for directly attaching transition metals to aromatic frameworks. R. E. Mulvey, J. Klett, V. Blair 4:25 451. Formation of C-N, C-O and C-S bonds catalyzed by monomeric N-heterocyclic carbene supported Cu complexes with amido, alkoxo, aryloxo and sulfido ligands. T. B. Gunnoe, C. Munro-Leighton, S. A. Delp 4:45 Intermission. 4:50 452. Mechanistic insights to the reactivity of neutral nickel salicylaldiminato alkyl complexes in aqueous solution. A. Berkefeld, S. Mecking 5:10 453. Structural elucidation of a nickel boryl complex. D. Adhikari, J. C. Huffman, D. J. Mindiola 5:30 454. Catalytic carbon-hydrogen bond functionalization via in situ generated allyl and vinyl boronates. V. J. Olsson, K. J. Szabo

MONDAY EVENING

Section B

Section A




Sci-Mix

T. J. Marks and R. D. Adams, Organizers

D. C. Crans, Organizer

A. Reid, Presiding

8:00–10:00 173-174, 177, 182, 184-186, 190, 193-194, 196, 201, 205, 212, 214-215, 218, 223224, 226, 228, 231, 234-237, 241, 246, 248-249, 253, 255, 257, 259, 262-263, 270-271, 273-274, 278, 281-282, 294, 300-302, 304-305, 314, 316, 321, 324, 327, 331, 333, 337, 343-345, 351, 354, 356, 362, 364-366, 368-369. See previous listings. 455. Competing photochemical pathways of mixed-metal supramolecules: Tuning interstate dynamics. D. F. Zigler, K. J. Brewer 456. Photoinduced electron transfer on semiconductor surfaces. M. K. Brennaman, T. Cardolaccia, A. P. Goldstein, J. M. Papanikolas, T. J. Meyer 457. Platinum(II) complexes bearing bipyridyl and terpyridyl acetylides. M. L. Muro, F. N. Castellano 458. Tuning the excited state properties of tetraazamacrocyclic chromium(III) complexes using substituted acetylido ligands. D. L. Grisenti, W. W. Thomas, M. D. Newsom, C. R. Turlington, D. VanDerveer, P. S. Wagenknecht 610, 613-614, 617, 619-620, 627, 629, 634635, 641-642, 645, 647, 649, 653, 662, 668, 671, 673, 675, 677-680, 682-683, 685-686, 692-693, 695-696, 698, 701-702, 705, 712-714, 716, 719-722, 724-725, 727-728, 732, 735, 738, 745, 751-753, 761, 765, 770, 773, 777-778, 783, 785786, 788-790, 792, 795-796, 801-802, 810, 817. See subsequent listings.

9:00 466. Fundamentals of metal-metal bonding as revealed by photoelectron spectroscopy of paddlewheel complexes. D. L. Lichtenberger 9:30 467. Electron delocalization in ground-, photoexcited- and redox states involving M2 delta–organic pi systems. M. H. Chisholm 10:00 468. Charge transfer processes within extended Ru2-alkynyl frameworks. T. Ren, L. Zhang, B. Xi, R. J. Crutchley, M. Choudhuri 10:30 469. Expanding the limits of nickel chemistry: NiI in an electron-rich environment. B. C. Fullmer, H. Fan, M. Pink, K. G. Caulton 11:00 470. Coordination preferences of bowl-shaped polyaromatic hydrocarbons. M. A. Petrukhina 11:30 471. Heterometallic bismuth-rhodium paddlewheel carboxylates. E. V. Dikarev 12:00 472. Old and new mysteries in carboxylate chemistry: Solved! B. M. Foxman

TUESDAY MORNING

S. S. David, Organizer, Presiding

Section A

9:00 Introductory Remarks. 9:05 473. Homo- and heterometal iron-sulfur clusters of nuclearity three or higher in relation to biological clusters. R. H. Holm, L. Deng, M. L. Hlavinka, R. S. Pryadun, T. A. Scott 9:35 474. Carboxylate-bridged diiron sites for activating dioxygen and oxidizing hydrocarbons. S. J. Lippard 10:05 475. Mononuclear nonheme iron(IV)oxo complexes in oxygenation reactions. W. Nam, J. Kim 10:35 476. How “low-valent” are bis(␣diimine)iron complexes? K. E. Wieghardt, N. Muresan, M. Khusniyarov 11:05 477. Nonheme iron/oxygen intermediates. E. I. Solomon 11:35 478. Strategies for and intermediates in O2 and C-H activation by metalloenzymes. J. M. Bollinger Jr., C. Krebs 12:05 479. Mononuclear copper-dioxygen complex substrate oxidation/oxygenation chemistry. K. D. Karlin, D. Maiti 12:35 480. Bioinorganic photochemistry. H. B. Gray, J. R. Winkler

Morial Convention Center Rm. R01 Metal-Organic Frameworks: What are They Good for

W. Lin and H-C. Zhou, Organizers M. Eddaoudi, Presiding 9:00 459. High hydrogen adsorption by porous coordination framework materials. M. Schroder 9:30 460. Chemistry and application of soft porous crystals. S. Kitagawa 10:00 461. Metal-organic frameworks: A new frontier for materials research. M. Hong 10:30 462. Molecular modeling of metalorganic frameworks for adsorption separation applications. R. Q. Snurr 11:00 463. Multiple functionalities of organic components in hybrid inorganic-organic materials. P. Feng 11:30 464. Proton conducting metal organic frameworks (PCMOFs) as fuel cell electrolytes. G. K. H. Shimizu, J. A. Hurd, R. Vaidhyanathan, V. Thangadurai 12:00 465. Selective, oriented and phase controlled growth of metal-organic frameworks at surfaces and trapping of nanoMOF crystallites in colloidal solution. R. A. Fischer, D. Zacher, S. Hermes, K. Huber, C. Woell

Section C Morial Convention Center Rm. R03 Alfred Bader Award in Bioinorganic or Bioorganic Chemistry: Symposium in Honor of Lawrence Que, Jr: The Chemistry and Biology of Nonheme Iron Mentors, Collaborators, and Friends

A. S. Borovik, Organizer

Section D Morial Convention Center Rm. 220 ACS Award for Distinguished Service in the Advancement of Inorganic Chemistry: Symposium in Honor of Tobin Marks Solid State and Materials Chemistry

W. Lin, Presiding M. G. Kanatzidis, Organizer, Presiding


80–TECH


9:00 481. Palladium-N-heterocyclic carbene complexes: Synthesis and catalytic activity. S. P. Nolan, S. Fantasia 9:30 482. Conjugated materials: Phthalocyanines to thiophenes and back again. G. R. Hutchison, M. D. Hanwell 10:00 483. Cobalt-catalyzed carbonylative polymerization of heterocycles. L. Jia

10:30 484. Developing new multifunctional nanomaterials for biomedical applications. W. Lin 11:00 485. Mono- and multilayer assemblies for the formation of chemical sensors. M. E. van der Boom 11:30 486. Strategies for self-assembling of molecular magnets on functionalized silicon surfaces. I. L. Fragalà, G. G. Condorelli, A. Motta, G. Pellegrino, L. Gorini, A. Cornia, D. Gatteschi

Section E Morial Convention Center Rm. 218 Multiferroic Materials

J. L. Musfeldt, Organizer D. Mandrus, Presiding 9:00 487. Growth of BiFeO3, BiMnO3, and EuTiO3 by MBE. D. G. Schlom, J. F. Ihlefeld, J. H. Lee, W. Tian, T. Heeg, A. Kumar, N. J. Podraza, X. Ke, P. Schiffer, L-Q. Chen, V. Gopalan, L. W. Martin, R. Ramesh, J. Guyonnet, C. Lichtensteiger, J-M. Triscone, D. Proffit, C-B. Eom, C. J. Fennie, L. F. Kourkoutis, D. A. Muller, Y. Chen, X. Pan, J. Schubert, Y. Li, Q. Jia, J. L. Musfeldt, R. W. Collins, M. Bernhagen, B. Velickov, R. Uecker 9:30 488. Novel multiferroics: A twist between magnetism and ferroelectricity. S-W. Cheong 10:00 489. Synthesis and characterization of multiferroic Ni3V2O8 thin films. G. Lawes 10:30 490. Exploring insulating magnets for magnetoelectric behavior. B. Melot, G. Lawes, R. Seshadri 11:00 491. Density functional theory characterization of the spin exchange interactions and electric polarizations of some multiferroic compounds. H. Xiang, C. Lee, Y. Zhang, C. Tian, J. Kang, M-H. Whangbo 11:30 492. Design of multiferroic perovskites using A-site size disorder. D. J. Singh, C-H. Park

Section F Morial Convention Center Rm. 219 Nanoscience—Characterization and Applications

D. J. Nelson, Organizer V. C. Moore and G. Cheng, Presiding 9:00 493. Antibody-capped mesoporous silica nanoparticles (MSN) for targeting of cancer cells. I. I. Slowing, P. A. Kapke, S. Goodison, V. S-Y. Lin 9:20 494. Biocompatibility study of mesoporous silica nanoparticles with red blood cells. I. I. Slowing, V. S-Y. Lin 9:40 495. Fullerenes protect against radiation induced cellular damage. V. C. Moore, J. L. Conyers, J. Huff 10:00 496. Gold nanorods with tunable aspect ratios via a seed mediated hard template synthesis. Z. Li, C. Kuebel, V. Parvulescu, R. M. Richards 10:20 497. High-temperature stability of metal nanoparticles via ceramic caging. T. Sanders, R. D. Solunke, G. Veser 10:40 498. In vitro cellular labeling of magnetic nanotubes for magnetic resonance imaging. X. Bai, S. J. Son, S. Zhang, W. Liu, E. K. Jordan, J. A. Frank, T. Venkatesan, S. B. Lee 11:00 499. Nanorod-induced hyperthermia in leukemia cancer cells: Theory and application. T. L. Jennings, T. Hauck, W. C. W. Chan 11:20 500. Probing the growth and aging of cobalt nanoparticles. G. Cheng, C. L. Dennis, R. D. Shull, A. R. Hight Walker 11:40 501. Sulfonic acid functionalized silica coated magnetic nanoparticle catalysts. C. S. Gill, C. W. Jones

INOR 12:00 502. Surface enhanced Raman activity of star-shaped gold nanoparticles. E. Nalbant Esenturk, A. R. Hight Walker 12:20 503. Tuning substrate selectivity in cytochrome c peroxidase though surface recognition by gold nanoparticle. H. Bayraktar, N. Moorer, A. Carver, P. S. Ghosh, V. M. Rotello, M. J. Knapp 12:40 504. Synthesis and characterization of biofunctionalized LaF3:Tb3+ nanoparticles. A. A. Ansari

Section G Morial Convention Center Rm. 217 General Inorganic Chemistry

R. P. Houser, Organizer C. E. MacBeth, Presiding 9:00 505. Coordination chemistry of the uranyl(VI) ion on aqueous solution studied with first-principles molecular dynamics simulations. M. Bühl 9:20 506. Photochemistry of a vanadium carbamate manganese(III) porphyrin construct. J. S. Silvia, C. C. Cummins 9:40 507. Preparation and properties of cyanide-bridged complexes incorporating 4d and 5d transition metals. M. G. Hilfiger, H. Zhao, A. V. Prosvirin, A. Dragulescu-Andrasi, M. Shatruk, W. Wernsdorfer, C. Achim, K. R. Dunbar 10:00 508. Proton reduction catalysts: Irononly hydrogenase mimics possessing structurally rigid dithiolates. R. J. Wright, T. D. Tilley 10:20 509. Reaction of water with an alkylidyne complex: Unusual silyl migration and the formation of methane. S-J. Chen, L. A. Morton, A. A. Tuinman, T. Chen, X. Yu, Z-L. Xue 10:40 510. Redox chemistry of two-electron platinum reagents with modified pincer ligands. R. Muvirimi, J. A. Krause, W. B. Connick 11:00 511. Structural evolution of hybrid frameworks with cation size. E. H. L. Falcao, R. K. Feller, N. Naraso, G. Wu, F. Wudl, A. K. Cheetham 11:20 512. Synthesis and reactivity of diarylamido-based PNP pincer complexes of scandium. J. L. Scott, F. Basuli, J. C. Huffman, D. J. Mindiola 11:40 513. Synthesis of high-relaxivity magnetic resonance contrast agents via click chemistry. Y. Song, H. Zong, E. K. Kohlmeir, A. G. Barrett, B. M. Hoffman, T. J. Meade 12:00 514. Synthesis of new layered rare earth hydroxides with anion exchange properties. F. Geng, H. Xin, Y. Matsushita, R. Ma, M. Tanaka, F. Izumi, N. Iyi, T. Sasaki 12:20 515. Tunable fluorescent and colorimetric indicator displacement assays for anions under physiological conditions. M. K. Coggins, A. M. Parker, G. Galdamez, R. C. Smith

Section H Morial Convention Center Rm. 221 Bioinorganic Chemistry: Enzymes and Coenzymes

S. L. J. Michel, Organizer J. Telser, Presiding 9:00 516. Nickel chemistry in urease: Sensing, enzyme assembly and catalysis. S. Ciurli


9:20 517. Nitrogen monoxide and carbon monoxide ligand dynamics in synthetic heme and heme-copper complex systems. H. R. Lucas, J. P. Toscano, G. J. Meyer, K. D. Karlin 9:40 518. Spectroscopic studies of a methylnickel species in methyl coenzyme M reductase (MCR): An example of biorganometallic chemistry. J. Telser, R. C. Kunz, M. Dey, N. S. Lees, S. W. Ragsdale, B. M. Hoffman 10:00 519. Copper binding to cysteinecontaining peptides that are potential models for copper proteins with sulfur and nitrogen donors in the active site. D. A. Rockcliffe, K. N. Green, B. Lee, M. Y. Darensbourg 10:20 520. Copper-dioxygen chemistry with a new sulfur containing tridentate ligand. G. Y. Park, Y. Lee, A. A. Narducci Sarjeant, K. D. Karlin 10:40 521. Immobilized metallodithiolate ligand supports for construction of bioinorganic model complexes. K. N. Green, D. A. Rockcliffe, C. M. Thomas, S. M. Brothers, M. Y. Darensbourg 11:00 522. Factors affecting the products formed by cytochrome P450 and superoxide reductase (SOR) enzymes: A density functional theory study. P. Surawatanawong, J. W. Tye, M. B. Hall 11:20 523. Engineering P450 into P420 with catalytic activities. H. Tian, Y. Jiang, X. Wang 11:40 524. Degradation of lignin in biomass conversion using engineered heme peroxidases. J. A. Feducia, R. A. Ghiladi 12:00 525. Mechanism of chlorite dismutase: A heme-dependent environmental detoxification enzyme. B. R. Streit, M. M. Abu-Omar, A. Lee, M. J. Zdilla, J. L. DuBois

TUESDAY AFTERNOON Section A Morial Convention Center Rm. R01 Metal-Organic Frameworks: What are They Good for

W. Lin and H-C. Zhou, Organizers G. K. H. Shimizu, Presiding 1:30 526. Metal organic frameworks from the f-elements: Challenges and opportunities. C. L. Cahill, D. T. de Lill, L. A. Borkowski, M. Frisch, K. E. Knope 1:50 527. Metal-organic frameworks with functional pores for recognition of small molecules. B. Chen 2:10 528. Improving the enthalpy of adsorption for dihydrogen using accessible metal sites. P. M. Forster, J. Eckert, J-S. Chang, J. B. Parise, A. K. Cheetham 2:30 529. Building block approach for the design and assembly of zeolite-like metalorganic frameworks. M. Eddaoudi 2:50 530. Assembly of CdI2-type coordination networks from triangular ligand and octahedral metal center: Topological analysis and potential framework porosity. C-Y. Su, S-R. Zheng 3:10 531. Impact of coordinatively unsaturated metal sites on hydrogen affinity and surface packing density. C. M. Brown, Y. Liu, H. Kabbour, D. A. Neumann, C. Ahn 3:30 532. Postsynthetic covalent modification of metal-organic frameworks. Z. Wang, S. M. Cohen 3:50 533. Interactions of hydrogen with metal organic frameworks studied by inelastic neutron scattering spectroscopy. J. Eckert, R. Banerjee, O. M. Yaghi 4:10 534. Characterization of coordinatively unsaturated metal atoms in microporous metal-organic frameworks. P. D. C. Dietzel, R. E. Johnsen, R. Blom, H. Fjellvåg 4:30 535. The construction of porous coordination metal-organic frameworks using imidazole-4,5-dicarboxylate as building block. T-B. Lu 4:50 536. Olefin/paraffin separation over metal organic framework materials. M. Hartmann, S. Kunz, D. Himsl, O. Tangermann

Section B

Section D




ACS Award for Distinguished Service in the Advancement of Inorganic Chemistry: Symposium in Honor of Tobin Marks Materials Chemistry

T. J. Marks and R. D. Adams, Organizers T. Ren, Presiding 1:30 537. Group 13 polycations. A. H. Cowley 2:00 538. Intermetallic bond formation upon oxidation in cuboidal dimolybdenum compounds linked by halides and pseudoalides, [Mo2(cis-formamidinate)2]2(μ-X)4. C. A. Murillo, Q. Zhao 2:30 539. Polyynediyl systems anchored by transition metals. J. A. Gladysz 3:00 540. Carbon-hydrogen bond activation. M. B. Hall 3:30 541. Construction of polymetallic paddlewheel complexes from (N2S2)Ni and (N2S2)Fe(NO) paddles and M-M axles: A tribute to F. Albert Cotton, Alfred Werner and New Orleans. M. Y. Darensbourg, J. L. Hess, M. D. Young, S. P. Jeffery, K. N. Green, M. V. Rampersad, C. A. Murillo 4:00 542. Properties of amidinate and guanidinate complexes of gold. J. P. Fackler Jr., A. A. Mohamed, H. E. Abdou, L. M. Pérez, M. D. Irwin 4:30 543. Interactions of dirhodium anticancer compounds with DNA. K. R. Dunbar, H. T. Chifotides

M. G. Kanatzidis, Organizer J. A. Schlueter, Presiding 2:00 556. Aligned carbon nanotube membranes as dramatic fluid flow and biomimetic platforms. B. J. Hinds 2:30 557. Chalcogels: Aerogels with emerging unique properties. M. G. Kanatzidis, S. Bag 3:00 558. Coupling conductivity and magnetism through hydrogen bonds. J. Schlueter, J. L. Manson 3:30 559. Hydrogen silsesquioxane: A versatile, solution processable precursor for silicon rich oxides and freestanding sibased nanocrystals. J. G. C. Veinot 4:00 560. Molecular recognition role in acetylcholine photonic and electronic sensing. S. Yitzchaik 4:30 561. Photoswitchable nanoparticles for live cell imaging. A. D. Q. Li 5:00 562. Rational design of responsive switches for self-assembly of peptidebased materials. V. P. Conticello, S. Dublin

Section E Section C Morial Convention Center Rm. R03 Celebrating Bioinorganic, Supramolecular, Lanthanide and Actinide Chemistry with Ken Raymond Supramolecular and Coordination Chemistry

A. S. Borovik, D. W. Johnson, and A. E. V. Gorden, Organizers M. D. Pluth, Presiding 1:30 Introductory Remarks. 1:35 544. Development of compartments and cavities using metallacrowns. V. L. Pecoraro, C. Lim, G. Mezei, J. W. Kampf 1:55 545. Supramolecular chemistry with bis(benzene-o-dithiolato and mixed benzene-o-dithiolato/catecholato ligands. F. E. Hahn 2:15 546. Supramolecular arsenic coordination chemistry: “Coordination number incommensurate cluster formation” goes main group. D. W. Johnson 2:35 547. Chemistry of helicates: From mechanistic studies to supramolecular function. M. Albrecht 2:55 548. Perspectives in molecular tectonics. M. W. Hosseini 3:15 549. Pyrrole-based anion receptor chemistry. J. L. Sessler 3:35 Intermission. 3:50 550. Chemistry of metalated container molecules. B. Kersting 4:10 551. Squaric acid hydroxamate-based chemosensors for iron(III). C. Brückner, S. V. Pavlova, N. C. Lim 4:30 552. Recent advances in cross-bridged tetraamine chemistry. E. H. Wong, G. R. Weisman, C. J. Anderson 4:50 553. De novo structure-based design of high symmetry coordination clusters. B. P. Hay 5:10 554. Thermodynamics of the encapsulation of aqueous cationic guests into a supramolecular tetrahedral anionic host. G. Arena, C. Sgarlata, V. Zito, K. N. Raymond, B. E. F. Tiedemann 5:30 555. Selective organic and organometallic reactions in synthetic water-soluble supramolecular “nanozymes”. R. G. Bergman

Morial Convention Center Rm. 218 Multiferroic Materials

J. L. Musfeldt, Organizer D. J. Singh, Presiding 2:00 563. Pressure effect on ferroelectricity in multiferroic magnetoelectric compounds. B. Lorenz 2:30 564. Recent neutron results on multiferroic oxides. J. W. Lynn 3:00 565. Dielectric characterization of multiferroic phases in high magnetic fields. J. S. Brooks 3:30 566. Dynamical contributions to the field-induced incommensurate-commensurate transition in multiferroic TbMnO3. S. L. Cooper, H. Barath, M. Kim, P. Abbamonte, M. Rubhausen, D. Argyriou 4:00 567. Nonlinear optical spectroscopy of spin-charge coupling in multiferroics. V. Gopalan 4:30 568. Discovery of high-energy magnetodielectric effects in frustrated Kagome staircase materials. J. Musfeldt, R. Rai, J. Cao, S. Brown, D. Kasinathan, D. Singh, G. Lawes, N. Rogado, R. Cava, X. Wei

Section F Morial Convention Center Rm. 219 Photochemistry and Photophysics of Inorganic Systems

F. N. Castellano, Organizer G. J. Meyer, Presiding 1:30 569. Transient spectroscopy of cobaltcatalyzed hydrogen evolution. J. L. Dempsey, C. N. Valdez, B. D. Stubbert, H. B. Gray, J. R. Winkler 2:00 570. Coupled-oscillator photophysics and the elaboration of chromophores with exceptional molecular hyperpolarizabilities and 2-photon absorptive cross-sections. T. V. Duncan, T. Ishizuka, L. E. Sinks, A. Nayak, K. Song, S. T. Hung, S. Keinan, W. Yang, D. N. Beratan, K. Clays, M. J. Therien 2:30 571. Orchestrating electron transfer toward solar energy conversion. S. Bernhard, L. L. Tinker, N. D. McDaniel, E. D. Cline, F. J. Coughlin, P. N. Curtin, C. K. Smith

TECH–81

TECHNICAL PROGRAM

INOR 3:00 572. Excited properties of luminescent cyclometalated iridium(III) complexes: Perfect emitters? M. E. Thompson, T. Sajoto, P. I. Djurovich 3:30 573. Metal-mediated ligand photoreactivity: From rearrangents and radical c-c bond formation to materials and reagents for hypoxic biological environments. J. M. Zaleski 4:00 Intermission. 4:15 574. Ru(II) complexes that break the rules. Y. Tor 4:45 575. Charge transfer excited states in mesoporous nanocrystalline TiO2 thin films. G. J. Meyer 5:15 576. Synthesis and solar-cell applications of new photoelectrode architectures. J. T. Hupp, A. B. F. Martinson, T. W. Hamann, M. C. Faia, J. W. Elam, M. J. Pellin 5:45 577. Spectroscopy of nanocrystal conjugates for biological applications. D. G. Nocera

Section G Morial Convention Center Rm. 217 General Organometallic Chemistry

K. G. Caulton, Presiding B. T. Donovan-Merkert, Organizer, Presiding 1:30 578. Functionalization of polythiophene with electron-deficient organoborane moieties. F. Jäkle, A. Sundararaman, H. Li 1:50 579. Synthesis and carbon-hydrogen activation reactions of TpRu(PPh3)2Me with relevance to catalytic olefin hydroarylation. I. Göttker-Schnetmann 2:10 580. Surprising functionalization of a Cp*-methyl group in [Cp*IrCl2]2 by (PhIO)n/HOAc to make [({eta}5C5Me4CH2OAc)IrCl2]2. L. S. Park, J. M. Mayer 2:30 581. Phosphine ligand effects on the palladium oxidative-insertion reaction. W-J. van Zeist, R. Visser, F. M. Bickelhaupt 2:50 582. One and two-electron redox processes to assemble vanadium complexes having metal-ligand multiple bonds. U. J. Kilgore, C. A. Sengelaub, H. Fan, M. Pink, J. C. Huffman, J. Tomaszewski, D. J. Mindiola 3:10 Intermission. 3:15 583. Mechanistic studies relevant to small molecule activation by iridium bis(phosphinite) pincer complexes. W. H. Bernskoetter, M. S. Brookhart 3:35 584. An efficient C-H activation followed by alkyne insertion with [Cp*MCl2]2 (M = Rh, Ir) route to isoquinoline derivatives. L. Li, W. W. Brennessel, W. D. Jones 3:55 585. Gilded organometallics: Synthesis and excited-state properties. T. G. Gray 4:15 Intermission. 4:20 586. Mechanistic studies of the insertion of unsaturated electrophiles into a “constrained geometry” zirconaaziridine. K. E. Kristian, S. A. Cummings, M. Iimura, J. R. Norton, K. E. Janak, K. Pang 4:40 587. Electronic spectroscopy and X-ray crystallography of new luminescent cyclometalated diimine Pt(II) chromophores and their role in photochemical H2 production. J. Schneider, P. Du, P. R. Jarosz, W. W. Brennessel, R. Eisenberg 5:00 588. Exchange of tungsten alkyl alkylidyne and bis-alkylidene dimethylphosphinoethane (DMPE) complexes. B. A. Dougan, Z-L. Xue 5:20 589. Experimental and computational studies of metal-ligand binding energies: Comparison of results obtained using PBE and B3LYP functionals. R. Ghosh, S. Kundu, Y. Choliy, A. Shariatmadari, M. Lecea, K. Krogh-Jespersen, A. S. Goldman


82–TECH

Section H Morial Convention Center Rm. 221 Inorganic Catalysts

K. Kustin, Organizer T. W. Hayton, Presiding 1:30 590. Metal complexes of siloxy and silane substituted salen ligands for the copolymerization of carbon dioxide and epoxides. J. R. Andreatta, D. J. Darensbourg 1:50 591. Preparation and activity study of catalyst for urine wastewater treatment. C. Wang, X. Cheng, D. Sun 2:10 592. Preparation of Pt/CeO2/GAC catalyst and study on catalyzing oxidation condensate wastewater. C. Wang, D. Wang, X. Cheng, D. Sun 2:30 593. Pyridine-like ligand effects on Pd(II)-catalyzed allylic acetoxylation of terminal and internal olefins. B-L. Lin, J. A. Labinger, J. E. Bercaw 2:50 594. Ring-opening polymerization of cyclic esters catalyzed by lanthanide complexes featuring rigid chelating ligands. E. M. Broderick, P. L. Diaconescu 3:10 595. Spit it out, already: Mechanistic studies of metal-catalyzed dehydrogenation of ammonia-borane. V. Pons, R. T. Baker, D. M. Camaioni, J. Li 3:30 596. Studies of the mechanism of ammonia formation from the protonation of Fe(DMeOPrPE)2N2. J. L. Crossland, R. B. Yelle, D. R. Tyler 3:50 597. Surface density optimization and characterization of active species of cografted vanadium-zirconium mixed oxides on ␥-Alumina surface. A. Saha, D. P. Eyman 4:10 598. Synthesis and characterization of dendrimer-derived iridium supported catalysts. Y. M. López-De Jesús, A. Vicente, G. Lafaye, P. Marécot, O. S. Alexeev, J. Monnier, C. T. Williams 4:30 599. Withdrawn. 4:50 600. Theoretical predictions of catalytic mechanisms of monometallic Fe compounds for H2 formation. E. R. Batista, L. E. Roy, P. J. Hay 5:10 601. Taking clues from hydrogenase: Photoelectron spectroscopy and electronic structures of a bridging propanedithiol Fe2S2 complex and related mimic compounds. L. T. Lockett, D. H. Evans, R. S. Glass, D. L. Lichtenberger

TUESDAY EVENING Section A Morial Convention Center Hall A

605. Structure-activity relationship of orthoquinone N-substituted thiosemicarbazones and their metal complexes as antiproliferative agents. Z. Afrasiabi, T. Thomas, E. Sinn, S. Padhye 606. Highly porous networks of metal coated cadmium sulfide nanoparticles using sol-gel method. S. K. Gill, L. J. Hope-Weeks 607. In situ pressure studies of highly correlated electron materials using neutron powder diffraction. J. N. Millican, J. K. Stalick 608. A combinatorial approach to the study of the phase diagram and thermoelectric properties in the Ce-Co-Sn system. E. L. Thomas, M. Otani, K-S. Chang, N. D. Lowhorn, P. K. Schenck, M. L. Green, W. Wong-Ng 609. Ferrocenylsilyl derivatives of the actinide extractants (Aryl)-N,N-di-(ibutyl)carbamoylmethylphosphine oxide. M. Senn, D. Echeverria, M. Baeza, M. A. Stroud, K. H. Pannell 610. Interactions of Na+ and [Co(NH3)6]3+ with DNA oligonucleotides using isothermal titration calorimetry. J. M. Ferreira, R. D. Sheardy 611. Photochemical and biological studies of Ru-Pt heterobimetallic complexes. A. Jain, B. S. J. Winkel, K. J. Brewer 612. Synthesis of water-soluble platinum complexes and their interactions with 5’-GMP. R. Armstrong, S. Schreiner 613. Threaded bimetallic DNA metallointercalators as moderators of charge transfer. B. R. Duffus, A. Chouai, C. Turro, K. R. Dunbar 614. Use of 19F NMR in studying DNA interactions with platinum(II) complexes. R. Johnson, S. Kapuria, D. G. VanDerveer, W. L. Jarrett Jr., A. A. Holder 615. Use of 19F NMR in studying DNA interactions with ruthenium(II) complexes. M. Davis, L. Seymour, V. H. Rambaran, W. Ward, E. Clark, L. Moody, S. Parajuli, D. G. VanDerveer, W. L. Jarrett Jr., W. Miao, A. A. Holder 616. DNA structure-selective interactions of a Zn(II) tetraazamacrocycle with appended acridine. R. J. Bauer, J. R. Morrow 617. Exploring a metal binding mechanism for sulfoxide antioxidant activity. M. D. R. Sánchez-Santiago, J. L. Brumaghim, R. R. Ramoutar 618. Monosubstituted dirhodium(II,II) complexes: Effect of the intercalating moiety. J. D. Aguirre, A. M. Angeles-Boza, A. Chouai, K. R. Dunbar 619. Oxidative cross-linking of RNA via the flash-quench technique. E. Khamou, C. L. Lightfoot, A. L. Reno, E. D. A. Stemp

Section B Morial Convention Center Hall A Bioinorganic Chemistry: Enzymes and Coenzymes

Bioinorganic Chemistry: DNA and RNA

D. C. Crans and S. L. Michel, Organizers D. C. Crans, Organizer 7:00–9:00 602. Interactions of monosaccharides with cis-bis-chelate complexes of Ru(II) and Rh(III). S. C. Haefner, S. M. Lane, L. T. McDonald 603. Microwave-assisted synthesis of bidentate phenylene bridged amido-phosphine ligands. K. R. Seipel, Z. Platt, K. L. Myers, M. Nguyen, A. W. Holland 604. Solid-state synthesis and characterization of Na2DyOPO4. S. Demirozu-Senol, A. Uztetik-Morkan


7:00–9:00 620. Characterization of copper binding to Riboflavin Binding Protein: A new player in avian embryonic copper transport and storage? S. R. Smith, K. Russ, K. Bencze, T. L. Stemmler, M. Benore-Parsons 621. Characterizing oxidation mechanisms of the environmentally-important metalloenzyme ␻-alkane hydroxylase. K. A. Erickson, R. N. Austin, K. Luddy, D. Deng, R. Buzdygon, J. T. Groves, J. B. van Beilen 622. Computational explorations of M(N2S2) [M = Ni, Cu, Zn] complexes as models for Acetyl Coenzyme A Synthase. S. M. Brothers, K. N. Green, R. M. Jenkins, C. A. Grapperhaus, M. Y. Darensbourg 623. Enhancement of binding between myoglobin and cytochrome b5 through surface charge reversals. A. K. K. Griffin, P. Xiong, J. M. Nocek, J. Wang, B. M. Hoffman 624. Hemocyanin: A comparison between oxidation and oxygenation. S. C. Dorman, A. T. Gannon, K. Johnson, E. Ramos, A. Warren

625. Indirect measurement of redox potential in Mycobacterium tuberculosis KatG. A. C. Thurman, R. A. Ghiladi 626. Mechanistic studies of chlorite degradation by chlorite dismutase and its iron porphyrin functional mimics. A. Lee, B. R. Streit, M. J. Zdilla, M. M. Abu-Omar, J. L. DuBois 627. Peptide models of the nickel superoxide dismutase active site. M. J. O’Hagan, M. T. Kieber-Emmons, C. G. Riordan 628. Redox properties of the calcium-manganese-chloride active site of photosystem II as probed by two phenylenediamines. T. S. Kuntzleman, C. Yocum 629. Xenon, laughing gas and cytochrome P450: Spectroscopic studies of inhaled anesthetics and their putative targets. A. F. Grimes, J. C. Lee

Section C Morial Convention Center Hall A Coordination Chemistry—Synthesis

W. A. Howard, Organizer 7:00–9:00 630. DFT study on the gas-phase interaction of histidine and metal ions (Li+, Na+, K+, Mg2+, Ca2+, Zn2+): Complexation modes, potential energy profile and metal effect on the aromaticity of imidazole ring. E. Tavasoli, Z. Aliakbar Tehrani, A. Fattahi 631. Synthesis, structural characterization, and properties of tantalum complexes containing imido and amidinato ligands. M. K. Wiedmann, M. J. Heeg, C. H. Winter 632. Synthesis of new porphyrin dendrimer and its potential use as a gadolinium MRI agent. D. G. Giarikos, K. Korah 633. Synthetic chemistry of high valence technetium oxides. F. Poineau, E. E. Rodriguez, A. P. Sattelberger, K. Czerwinski 634. The synthesis and characterization of glyoxime complexes of Re(CO)3+. R. S. Costa, W. Cupelo, J. Lopez, R. S. Herrick, C. J. Ziegler 635. The synthesis and characterization of a novel bipyridine-hydroxyimino ligand and its rhenium(I) and ruthenium(II) complexes. T. Doleck, J. Attard, A. Moskun, R. Isovitsch 636. Synthesis of new ruthenium (II) complex, [Ru(bipyCN)3]2+ and its interactions with DNA. D. G. Giarikos, T. A. Dawes 637. Ferrocene-based dipyrromethene complexes. M. R. Malachowski, C. Dru, R. Yale, C. Davis, S. Kishbaugh, A. Dru 638. Syntheses and characterizations of some transition metal complexes containing analogs of 2,6-pyridinedicarboxylic acid. S. Balof, L. Moody, S. Smith, V. H. Rambaran, D. G. VanDerveer, A. A. Holder 639. The synthesis and reactivity of cobalt and iron complexes supported by trianionic, tripodal ligand platforms. M. B. Jones, C. E. MacBeth 640. Synthesis toward mixed-valent copper(I) rotaxanes. A. C. Fahrenbach, K. A. McNitt, K. Parimal, A. Flood 641. Oligometallic systems derived from diand trinuclear copper(II) amido-oximate complexes: Synthesis, structure and magnetic properties. A. W. Addison, L. K. Thompson, V. V. Pavlishchuk, S. V. Kolotilov, D. Schollmeyer, V. Golub 642. Charge-transfer-induced spin transition and photomagnetic behavior in a trigonalbipyramidal cyanide cluster and its extended materials. K. E. Funck, R. Clérac, C. P. Berlinguette, C. Mathoniere, R. Le Bris, E. Harte, A. Dragulescu-Andrasi, C. Achim, K. R. Dunbar 643. Small molecule mimics of zinc and copper metalloproteases. R. C. Schnabel 644. d10 Metal pyridyl carboxylate rings, nets, and polymers. P. Teo, T. S. A. Hor 645. Hemidirected lead(II) complexes with new aromatic bis(thione) ligands. J. Hsieh, W. H. Monillas, G. P. A. Yap, D. Rabinovich 646. Bridging theory and experiment: Rational design of molecules based on theoretical predictions. C. Avendano, M. Shatruk, K. R. Dunbar

INOR Section D

Section E



Synthesis and Characterization of Materials

Chemistry of Lanthanides and Actinides

D. J. Nelson and R. P. Houser, Organizers 7:00–9:00 647. Synthesis and characterization of nanosized metal complexes via crystal growth by thin film formation of 8-quinolinolate with Fe(III), Ni(II), Cu(II) and Zn(II) ions. M. E. Mahmoud, S. S. Haggag, T. M. Abdel-Fattah 648. Chemical and electrochemical characterization of ferrocene derivatives intercalated into zirconium phosphate layers by direct ion exchange. B. Casañas, M. B. Santiago, M. Morales, A. Miller, I. Montes, J. L. Colón 649. Deposition of CuInSe2 thin film using Copper and In-Se precursor through two-stage MOCVD method. J. P. Park, I-W. Shim 650. Intercalation and structural studies of double-layered perovskite structures, ALaNb2O7. J. L. Choi, J. B. Wiley 651. Isostructural porphyrin frameworks decorated with various metal centers. P. M. Barron, C. A. Wray, E. Y. Choi, R. W. Novotny, W. Choe 652. K8Ge136: A new binary clathrate (II) compound synthesized by soft chemical methods. Z. Tang, K. P. Chiong, A. M. Guloy, P. Simon, M. Baitinger, W. Carillo-Cabrera, B. Böhme, Y. Grin 653. Metallacarborane redox mediation in enzyme-immobilized polymer-modified bioanodes. P. A. Jelliss, A. Nukic 654. Mild oxidation of Zintl cluster polymers in ionic liquid. K. P. Chiong, A. M. Guloy, P. Simon, Z. Tang 655. Oxidation of the Zintl phase Na4Ge4: Synthesis and characterization of Ge4H4. P. Kaewkunsri, A. M. Guloy 656. Preparation of heterogeneous catalysts for the dehydration of alcohols. A. J. Crisci, R. C. Nelson, S. L. Scott 657. Sol-gel synthesis, characterization and photocatalytic activity of mesoporous TiO2/␥-Al2O3 granules. J. Choi, T. G. Lee, J. Kim 658. Syntheses, structure and physical properties of new interstitial-stabilized rareearth metal tetrelides based on the U3Si2 structure type. L. Wang, Z. Tang, A. M. Guloy 659. Syntheses, structures, and photoluminescence properties of novel low-dimensional tetracyanoplatinates. B. A. Maynard, K. Kalachnikova, L. Ladner, K. Whitehead, Z. Assefa, R. E. Sykora 660. Synthesis and characterization of [NH3(CH2)3COOH]2(CH3NH3)n-1SnnI3n+1 – layered tin (II) iodide perovskites. E. Yuan, Z. Tang, K. J. Hsu, J. Rula, A. M. Guloy 661. Synthesis and functionalization of butadiene-passivated silicon nanoparticles. L. Kuang, M. J. Fink 662. Synthesis of europium-doped aluminosilicate monoliths by the sol-gel method. D. C. Banks, E. J. Voss 663. Synthesis of Ga(S2CN(C2H5C4H9))3 precursor and preparation of CuGaS2 (CGS) thin films through MOCVD. S. K. Kim, I-W. Shim 664. Synthesis of ZnWO4 and ZnGa2O4 nanophosphors by alkalide reduction. S. Elkind, M. J. Wagner, O. Zivkovic, C. Yan 665. Synthesis,crystal and electronic structures of a new suboxide in the Ba-Nb-Sn system. B. Lv, Z. Tang, L. Wang, A. M. Guloy 666. Topochemical manipulation of Sr3Ru2O7. E. Josepha, J. B. Wiley 667. Characterization of hydrophobic silica aerogels prepared via a rapid supercritical extraction method. E. C. Green, J. T. Melville, M. S. Bono, A. M. Anderson, M. K. Carroll 668. Mechanochemical synthesis and characterization of alkenyl- passivated Ge nanoparticles. T. K. Purkait, M. J. Fink

L. C. Francesconi, Organizer 7:00–9:00 669. Calixarene-based amine-terminated scorpionate ligands for lanthanides. M. P. Hertel, J. L. Fantini, S. A. Williams, J. A. R. Schmidt 670. Covalency in the actinide dioxides: Systematic study of the electronic properties using screened hybrid density functional theory. L. E. Roy, I. D. Prodan, J. E. Peralta, G. E. Scuseria, R. L. Martin 671. Encapsulating lanthanide ions with substituted, salicylaldehyde-derived Schiffbase ligands. P. M. Smith, W. M. Kochemba, B. L. Weigand 672. Ln/Y-substituted Wells-Dawson polyoxometalates: Redox properties and spectroelectrochemistry. J. Jing, B. P. Burton-Pye, M. R. Antonio, L. C. Francesconi 673. Saturating the coordination plane of actinyl cations using siderophore-inspired ligands. G. Szigethy, K. N. Raymond 674. Solvent dependence on the formation of lanthanide carboxyborate materials. D. J. Goodwin, C. C. Raymond 675. Synthesis and characterization of lanthanide phenolate compounds and their catalytic activity toward ring-opening polymerization of cyclic esters. P. I. Binda, E. E. Delbridge, H. B. Abrahamson 676. Synthesis and characterization of lanthanum halide solvated compounds for use in scintilators, PLnZT, and bioimaging. L. A. M. Ottley, T. J. Boyle, P. Yang, M. A. Rodriguez, M. Sanchez, R. M. Sewell, S. Hoppe, R. Raymond 677. Synthesis and characterization of N,Ndimethyldiboranamide complexes of thorium and uranium. G. S. Girolami, S. R. Daly

Section F Morial Convention Center Hall A Chemistry of Materials

D. J. Nelson and D. C. Crans, Organizers C. Brammer and L. Zeng, Presiding 7:00–9:00 678. Concentric electrospinning of various periodic mesoporous organosilicas. M. K. Finch, H. A. Liu, K. J. Balkus Jr. 679. Magnetic dilution of the geometrically frustrated zinc chromate spinel. B. C. Chan, S. Pulido, R. J. Cava, A. P. Ramirez 680. Microwave assisted self-assembled monolayers on optically accessible substrates. C. B. Hall, C. B. Murphy 681. Preparation characterization alumina porous membranes coated with Nb/Ta think films for the separation of H2/CO2/ CO. R. A. M. Jayasingha, R. S. Garudadri, U. Siriwardane, N. V. Seethala 682. Room-temperature luminescence of platinum(II) complexes intercalated into zirconium phosphate layers. E. J. Rivera, C. Figueroa, C. Barbosa, R. Torres, J. L. Colón, L. J. Grove, T. W. Green, W. B. Connick 683. Investigation of halogen bonding involving phosphorus and phosphorus chalcogenide donors. H. D. Arman, D. A. Abramovitch, W. T. Pennington 684. Size-control of biotin stabilized metal nanoparticles. N. M. Kelly, R. G. Freemantle, J. A. Bartz, S. O. Obare 685. Synthesis of titanium (IV) butoxide/silver nanocomposites by photochemical techniques. I. I. Roslov, T. B. Boytsova, D. E. Bartak 686. Tetrathiafulvalene-based ligands as building blocks for multifunctional magneto- and optoelectronic materials. M. Shatruk, C. Breshike

687. Energetic salts containing the nitrogenrich 2-methyl- and 1,3-dimethyl-5-amino1H-tetrazolium cations. T. M. Klapötke, C. Miró Sabaté, M. Rusan, J. M. Welch 688. Alkali and alkalin-earth metal salts of 5-nitrotetrazole as primary explosives. T. M. Klapötke, C. Miró Sabaté, J. M. Welch 689. Characterization of fluorinated single wall carbon nanotubes (F-SWNTs) by solid state NMR. L. Zeng, A. R. Barron, L. B. Alemany, L. Zhang, C. L. Edwards 690. Crystal growth, structure and physical property of LnCu4Ga8 compounds (Ln = Y, Gd-Er, Yb). J. Y. Cho, C. Capan, A. B. Karki, D. P. Young, J. Y. Chan 691. Crystal growth, transport and magnetic properties Ln4FeGa12 (Ln = Y, Tb-Er). E. K. Okudzeto, A. B. Karki, D. P. Young, J. Y. Chan 692. Fluorinated metallopolymers for fluorescent sensing and emissive applications. S. He, S. T. Iacono, S. M. Budy, A. E. Dennis, D. W. Smith Jr., R. C. Smith 693. In situ synthesis and decoration of nanoparticles on carbon nanotube via ionicliquids assisted sonochemical method (ILASM). H. Park, B. G. Choi, W. H. Hong, D. Jung 694. Precursor design for the atomic layer deposition of high-k dielectric thin films. M. G. Swartz, B. D. Fahlman 695. Shape controlled growth of metal oxide nanocomposites and a study of their properties and applications. I. A. Banerjee, C. Avanzato, M. Henricus, J. Follieri 696. The thermal properties of the inorganic/ organic materials based on cubic silsesquioxanes. L. Hu, D. Wang, Y. Song, C. Song, Y. Liu

Section G Morial Convention Center Hall A General Inorganic Chemistry

D. C. Crans, Organizer 7:00–9:00 697. Aminophosphine ligands in catalytic hydrogenation and transfer hydrogenation. T. W. Graham, C. W. Tsang, W. L. Jia, R. Guo, X. Chen, D. Amoroso, K. Abdur-Rashid 698. Iridabenzenes: An investigation of the pentavalent octahedral variety. D. T. Chase, M. M. Haley 699. Isomer stability and dissociation energies of open-chain N4C2. K. Casey, J. Thomas, K. Fairman, D. L. Strout 700. Kinetic and DFT investigation of the potassium ferrate(VI) reaction with sulfite and selenite. P. D. Rivera, H. Wang, M. D. Johnson 701. Novel naphthyl substituted siloles: Synthesis, characterization, and photoluminescent properties. K. M. Fecteau, H. J. Tracy, T. Bozeman, N. Benfaremo, J. Ford, J. L. Mullin 702. Quadruply bonded metal-metal units as axial ligands in “octahedral” transition metal complexes. M. Nippe, J. F. Berry 703. Reaction of cisplatin analogs with selenomethionine. R. Lively, S. C. Chmely, K. M. Williams 704. Reactions of carbene complexes to create cyclic, phosphine containing compounds using nontraditional heating methods. G. J. Meyer, D. S. O’Reilly 705. Structural characterization of marine fungal siderophores. J. D. Martin 706. Synthesis and toxicity studies of trisaminomethylethane tri-carbonyl rhenium(I) salts in HeLa and vascular smooth muscle cells. S. L. Robenstine, B. R. Franklin, R. S. Herrick, C. J. Ziegler 707. Synthesis of group 6 transition metal nitrides: Precursors for magnetic materials. J. A. Hatnean, S. A. Johnson 708. Synthesis of manganese-oxo clusters as MRI contrast agents. W. M. Aumiller Jr., S. L. Stoll, J. E. Mertzman 709. Synthesis of targeted-MRI contrast agents. K. A. Parga Rivera, R. Raptis 710. Synthesis, characterization and biological studies on ternary metal complexes with isoxazole schiff bases and 1, 10–phenanthroline. S. Raj, Y. Prashanthi, K. Kiranmai

711. Synthesis, molecular structure, and characterization of an S = 3/2 trigonal paddlewheel complex: {[(C9H18N2S2)Fe(NO)]Ag2}(BF4)2. J. L. Hess, M. D. Young, M. Y. Darensbourg 712. Using scanning electrochemical microscopy to investigate electron-transfer processes in dye sensitized solar cells. R. J. LeSuer, N. Squair 713. Wurster’s azacrown macrocycles: Synthesis and properties of d10 metal complexes. B. R. Lund, P. B. Forshee, J. W. Sibert 714. Wurster’s carbanilides: Novel redox active receptors for anions. J. P. Clare, A. Statnikov, J. W. Sibert IV 715. Allene formation mediated by cyclic(alkyl)(amino)carbene gold(I) complexes. G. D. Frey, S. Kousar, V. Lavallo, B. Donnadieu, G. Bertrand

Section H Morial Convention Center Hall A Spectroscopy of Inorganic Systems

F. N. Castellano, Organizer 7:00–9:00 716. Combined UV-Vis, MCD, DFT, TDDFT, and PCM-TDDFT study on oxidized zinc phthalocyanine monomer and dimer species. G. T. Rohde, R. G. Hadt, V. N. Nemykin 717. Metal binding studies of the c-terminal zinc binding domain of the NF-␬B essential modulator (NEMO). R. A. Kelly, B. T. Amann, J. M. Berg 718. Photochemical investigations of diiron model complexes containing the [Fe2O(O2CR)2]2+ core. J. Tate, M. D. Edington, E. N. Onyeozili 719. Spectroscopy of PtO by intracavity laser absorption spectroscopy: Identification of a new [12.1] ⍀=1 excited electronic state. H. Liu, L. C. O’Brien, S. Shaji, J. J. O’Brien 720. Structure and structural evolution of amorphous calcium carbonate (ACC): Solid state NMR spectroscopic study. J. Feng, B. L. Phillips, J. McDonald, F. M. Michel, R. J. Reeder 721. Understanding the stability of metalborohydride compounds. C. A. Sutton, M. L. Abrams, P. J. Desrochers 722. Probing interactions of vanadium(IV) dipicolinate in AOT reverse micelles. E. Gaidamauskas, S. J. Bonetti, D. C. Crans, S. S. Eaton

Section I Morial Convention Center Hall A Photochemistry and Photophysics of Inorganic Systems

F. N. Castellano, Organizer 7:00–9:00 723. Photoelectrochemical properties of multilayer films composed of semiconducting metal-oxide nanosheets and ZnTMPyP. K. Akatsuka, Y. Ebina, Y. Takahashi, M-A. Haga, T. Sasaki 724. Photophysical, photochemical, and electrochemical characterization of iron polypyridyl complexes ion-exchanged into a zirconium phosphate framework. A. Daíz, M. Martinez, A. Medina, M. B. Santiago, J. L. Colon 725. Ruthenium polypyridyl complex as oxygen sensor. J. Chen, J. Gu, R. H. Schmehl


TECH–83

TECHNICAL PROGRAM

INOR 726. Excited state properties of phenylenevinylene derivatized terpyridine complexes: Potential optical limiting applications. J. Gu, R. Schmehl 727. Photocatalytic oxidative degradation of surfactant monolayers on TiO2 films: Mechanistic and kinetic studies of a novel photopatterning process. G. R. Soja, D. F. Watson 728. Photochemistry of metal-metal bonded compounds with cyclic stannylenes. L. Sallai, H. B. Abrahamson 729. Effect of ligand field strength and temperature dependent luminescence lifetime studies of a series of tolyl terpy Pt complexes. K. Shankar, R. H. Schmehl 730. Enhancing and quenching effect of silver nanoparticles on the fluorescein fluorescence and quenching release by electrolytes. Y. Wang, T. Wang, J. Zhou 731. An investigation of the influence of geometry and ligand identity on energy transfer rates with macrocyclic chromium(III) complexes. W. P. Forrest, D. L. Grisenti, C. R. Turlington, P. S. Wagenknecht 732. Comparison of the properties of [Ru(2,2’bipyridine)(6,6”-(1,2-ethandiyl)bis-2,2’bipyridine)]2+ and [(Ru(2,2’-bipyridine)2)2 (6,6”-(1,2-ethandiyl)bis-2,2’-bipyridine)]4+ to [Ru(2,2’-bipyridine)3]2+. R. Kirgan, P. A. Witek, C. E. Moore, D. P. Rillema

Section J Morial Convention Center Hall A Main Group Chemistry

B. T. Donovan-Merkert and D. C. Crans, Organizers 7:00–9:00 733. Cyclopolysilanes: Selective synthesis of ring sizes 3-9. C. Marschner, M. Zirngast, J. Baumgartner 734. Investigations into the interactions between complex anions and conjugated olefinic systems: Can these be considered anion-␲? E. S. Funck, I. D. Giles, H. T. Chifotides, L. M. Pérez, K. R. Dunbar 735. Kinetic studies of bismith aryloxide decomposition. K. A. Brien, T. A. Hanna 736. Lithium diisopropylamide and lithium hexamethyldisilazide aggregation state studies by Diffusion-Ordered NMR spectroscopy. D. Li, W. Li, P. G. Williard 737. Trimethylsilylmethylated polysilanes. C. Marschner, H. Wagner, J. Baumgartner, A. Wallner 738. Synthesis, characterization and conformational rigidity of a novel hindered bis(silarane). K. R. Pichaandi, J. T. Mague, M. J. Fink

Section K Morial Convention Center Hall A Metal-Organic Frameworks: What are They Good for

W. Lin and H-C. Zhou, Organizers 7:00–9:00 739. Adsorption of supercritical hydrogen and methane in highly porous covalent organic frameworks. H. Furukawa, H. M. El-Kaderi, J. R. Hunt, O. M. Yaghi 740. Building with bigger blocks: Nanoscale molecular faceted polyhedra as nodes in extended metal-organic materials. J. J. Perry IV, M. J. Zaworotko

741. Chemistry inside MOF cavities: Adsorption of Lewis acids and bases inside MOF-5 and their host/guest interaction. D. Esken, S. Henke, F. Schroeder, R. A. Fischer 742. Construction of metal-organic framework with permanent porosity based on hexatopic ligand. D. Zhao, H-C. Zhou 743. Design and synthesis of porous, crystalline 2-D covalent organic frameworks. F. J. Uribe-Romo, A. P. Côté, H. M. El-Kaderi, H. Furukawa, J. R. Hunt, O. M. Yaghi 744. Directing the orientation and structure of MILs at surfaces: Evidence of surface selective growth. D. Zacher, K. Huber, R. A. Fischer 745. Functional building blocks for MOF architecture: Designs, syntheses, and crystal structures of polyoxometalatebased bis-acid compounds. J. Song, J. Han, C. L. Hill 746. High pressure methane adsorption in Cu3(BTC)2, Zn2(BDC)2DABCO, and MIL-101. S. Kaskel, I. Senkovska 747. Hydrothermal reaction of Cu(II)/pyrazine2,3,5-tricarboxylic acid and characterization of the copper(II) complexes. F-Q. Wang, W-H. Mu, X-J. Zheng, D-C. Fang, L-P. Jin 748. Lanthanide-organic frameworks containing infinite 1-D secondary building units. X. Wang 749. Manganese-based nanoscale MOFs as potential MRI contrast agents. K. M. Taylor, W. J. Rieter, W. Lin 750. Metal phosphonates as fuel-cell materials. J. M. Taylor, G. K. H. Shimizu 751. Metal-organic frameworks assembled from supermolecular building blocks. A. J. Cairns, J. A. Perman, M. J. Zaworotko, M. Eddaoudi 752. Metal-organometallic frameworks derived from metalated arylcarboxylates ligands. S. A. Kumalah, K. T. Holman 753. Mixed-matrix membranes containing metal-organic frameworks for CO2 and H2 gas separations. M. J. C. Ordonez, K. Balkus Jr., J. P. Ferraris, I. H. Musselman 754. New hybrid solids from ionothermal synthesis. P. J. Calderone Jr., P. M. Forster, J. B. Parise 755. Polytypism, homochirality, interpenetration, and hydrogen-bonding in a new family of coordination polymers. R. K. Feller, A. K. Cheetham 756. Solvothermal synthesis of heterometallic MOFs. B. A. Ooro, H-C. Zhou 757. Survey of synthetic methods developed for MOFs. L. Dudek, D. Tranchemontagne, O. M. Yaghi 758. Synthesis and characterization of novel hybrid inorganic-organic materials containing fluorinated carboxylates. Z. Hulvey, E. H. L. Falcao, E. Sullivan, A. Morrison, R. E. Morris, A. K. Cheetham 759. Synthesis of inorganic/organic cationic 2-D materials for anion exchange. Y. Abdollahian, S. R. J. Oliver, D. L. Rogow, C. H. Swanson, A. G. Oliver, X. Fan 760. Zeolitic imidazolate frameworks: A second generation metal organic frameworks. B. Wang, R. Banerjee, A. Phan, O. M. Yaghi 761. Novel cobalt(II) carboxylate-phosphonate: A canted antiferromagnet. A. V. Prosvirin, B-P. Yang, Y-Q. Guo, J-G. Mao 762. Reticular metal-organic frameworks for air purification. D. Britt, D. Tranchemontagne, O. M. Yaghi

Section L Morial Convention Center Hall A Organometallic Synthesis


84–TECH

B. T. Donovan-Merkert and D. C. Crans, Organizers 7:00–9:00 763. Synthesis, characterization, and structural study of iron-sulfur core complexes {Fe2(cp)2(μ-SEt)2} containing bidentate phosphines ligands. S. C. N. Hsu, Y-C. Zheng

764. Synthesis, reactivity, and characterization of bimetallic rhenium complex. D. J. Sullivan, R. M. Chin 765. Ligand substitution reactions of W(CO)(␩2-L)(acac)2 tungsten(II) complexes. C. Khosla, P. S. White, J. L. Templeton 766. New diamido, bis(diamido) and peroxo compounds of group 4. C. Stanciu, M. E. Jones, P. E. Fanwick, M. M. Abu-Omar 767. Study of the preparation and chemistry of iron vinylallene complexes: Precursors toward functionalized TM complexed 5-member ring quinone-methide analogs. A. M. Beuterbaugh, N. T. Allison 768. Withdrawn. 769. Synthesis and characterization of new luminescent platinum complexes containing the tridentate1,3-di(N-pyrazolyl)-4,6dimethylbenzene ligand. B. C. Gruver, R. M. Chin, J. E. Elbert 770. Chemistry of complexes derived from an intermediate titanium complex containing an ␩2-imino (CH2=NCH3) ligand. B. Sedai, M. J. Heeg, C. H. Winter

Section M Morial Convention Center Hall A Integration of Research and Education at the Frontiers of Inorganic Chemistry

A. R. Johnson and M. J. Geselbracht, Organizers 7:00–9:00 771. Probing the effects of cholesterol on insulin-enhancing compounds associated with the interface of self-assembled microemulsions. A. Trujillo, B. Baruah, D. C. Crans, N. E. Levinger, D. A. Roess 772. IONiC: Interactive online network of inorganic chemists. H. J. Eppley, M. J. Geselbracht, A. R. Johnson, B. A. Reisner, J. Stewart, L. A. Watson, B. S. Williams 773. Transition metal complexes of pyrazole N-oxides. J. D. Houck, P. Baran 774. (2-(Diphenylphosphino)ethyl)cyclopentadienyl: A ligand that permits nucleophilic attack at group VI metal-copper bonds. A. P. Heerboth, Z. R. Herm, P. J. Fischer, B. E. Kucera 775. Asymmetric N-oxide macrocycles and their complexes. A. M. Gressick, P. Baran 776. Complexes of pyridine N-oxide derivatives with thiophenes. Z. Baranová, P. Baran, P. C. Ewbank 777. Asymmetric catalysis with sterically bulky titanium amide alkoxide complexes. L. D. Hughs, A. R. Johnson 778. Transition metal-mediated synthesis of pyrroles from dienyl azides. J. E. Redford, H. Dong, M. Shen, B. J. Stokes, A. L. Pumphrey, T. G. Driver 779. Insertion and isomerization reactions involving (NCN)PtMe and carbon monoxide. M. L. Scheuermann, B. S. Williams 780. Enantioselective catalytic hydroamination of aminoallenes with titanium complexes of sulfonamide alcohols. D. C. McAnnally-Linz, A. R. Johnson 781. Rare earth ions and doped nanoparticles in silica sol-gel glasses. K. S. Brewer, K. M. Donahue, L. M. Brown 782. Hydrothermal synthesis of two thorium (IV) metal organic frameworks. K. L. Ziegelgruber, C. L. Cahill 783. Putting materials chemistry topics into the intermediate inorganic course syllabus. K. S. Brewer 784. Rare earth ions and doped nanoparticles in silica sol-gel glasses. K. S. Brewer, A. J. Silversmith, E. M. Faroh, G. C. Smith, K. E. Arpino, L. M. Pasquini 785. Synthesis and characterization of new heterogeneous diacid catalysts. S. L. Kilgore, B. A. Scruggs, B. H. Shanks, B. D. Chandler 786. Spectroelectrochemical investigation of the lithium ion insertion behavior of V2O5 films. T. M. Drane, M. J. Geselbracht, J. W. Long, D. R. Rolison

787. Micellar templates and spectroscopic rulers for preparing and characterizing supported catalysts on inorganic oxides. B. A. Scruggs, S. L. Kilgore, B. H. Shanks, B. D. Chandler 788. Manganese oxide colloids as precursors for thin films and nanostructured materials. K. M. Luthy, S. Ching 789. IR spectroelectrochemical investigations of the anticancer drug, NAMI-A. M. A. Roberts, R. L. Fryd, L. B. Witkowsky, K. L. M. Holman 790. Metal binding specificity in a pair of homologous proteins that bind iron and cadmium. V. Taylor, L. Clanton, B. S. Russell 791. DNA binding and cleaving properties of intercalating copper(II) complexes. C. Fritz, M. Z. Foote, G. Rawji 792. Synthesis and coordination of novel imide ligands from 1,2,4-benzenetricarboxylic anhydride and aminobenzoic acid derivatives: A green chemistry approach. J. Massing, K. Yerton, C. V. Gauthier 793. Synthesis of 2-(o-thiophenyliminomethyl)pyridine N-oxide. M. C. Vesper, P. Baran, Z. Trávnicek 794. Synthesis of guanine N-oxides and their complexes. K. M. George, P. Baran, Z. Trávnicek, L. Štajgerová 795. Solid acid catalysis a greener acylation of ferrocene. B. E. Schulz, K. R. Birdwhistell, M. Gonzalez 796. Project format for the undergraduate inorganic lab at SWOSU: Synthesis of macrocyclic ligands, transition metal complexation, and complex characterization. T. J. Hubin, N. L. Funwie, A. N. Cain 797. Collaborative research in chemistry: High school summer outreach program in hydrogen energy research for high school teachers and students. L. T. Lockett, A. K. Vannucci, B. Petro, T. Sakamoto, N. Okumura, J. Chen, G. A. N. Felton, C. A. Mebi, R. Kottani, M. Swenson, T. Nguyen, L. Whelan, M. Calhoun, N. Cardinell, C. Cobbledick, W. Amaro, R. Muñoz, D. Fimbres, T. Barry, S. DeBaca, J. Pena, W. Pickeral, S. Romero, D. H. Evans, R. S. Glass, D. L. Lichtenberger 798. Porphyrin chemistry: An integrated investigative advanced laboratory course. K. P. Johnson, K. S. Brewer, R. B. Kinnel, I. J. Rosenstein, T. E. Elgren

Section N Morial Convention Center Hall A General Organometallic Chemistry

B. T. Donovan-Merkert and D. C. Crans, Organizers 7:00–9:00 799. On the mechanism of iridium-catalyzed reduction of alkyl halides by triethylsilane. J. Yang, M. Brookhart 800. Organometallic complexes with the redox active o-amidophenolate ligand. J. L. Boyer, T. B. Rauchfuss 801. Polymerization of 1,3-dienes catalyzed by cationic (allyl)Ni(mesitylene) complexes. A. R. O’Connor, M. S. Brookhart 802. Reactions of olefins with rhodium porphyrin complexes in methanol. S. Li, B. B. Wayland 803. Reactions of [(dppe)(CO)3Mn]+ with cyclopropylalkynes: The effect of the counter ion on the reaction outcome. D. L. Cranford, M. Shaw, N. E. Motl 804. Ruthenium complexes of bis(diphenylphosphino)ethane monoxide. M. L. Moyer, J. Gilje, D. S. Amenta 805. Ruthenium hydride hydrogenation catalysts with bisphosphinometallocene ligands. L. Sites, C. Nataro 806. Spectroscopic and electrochemical detection of Ir(CO)(PPh3)2Cl(C60n-) (n = 0, 5, 6). E. Igartua 807. Living radical polymerization of vinyl acetate mediated by cobalt (II) porphyrin complexes. C-H. Peng, J. Scricco, S. Li, M. Fryd, B. B. Wayland


INOR 808. Metal-alkenes supported on molecular phosphates. C. W. Earley 809. Experimental and theoretical examination of C—CN bond activation of arylnitrile using zerovalent nickel. T. Li, T. A. Atesin, S. Lachaize, J. J. Garcia, W. D. Jones 810. Extended wire-like diruthenium molecules: Syntheses, structural and electrochemical studies. T. Ren, G-L. Xu, P. Fanwick 811. In search of the elusive 3-coordinate, PNP pincer-bound, Ni complex. C. Douvris, C-H. Chen, D. Adhikari, B. M. Foxman, D. J. Mindiola, O. V. Ozerov 812. Carbon-carbon bond migration in the Ru-mediated reactions of internal alkynes to form vinylidene ligands. M. J. Shaw, N. E. Motl, N. P. Rath, J. E. Eilers 813. Electron exchange involving a sulfurstabilized ruthenium radical cation. A. P. Shaw, B. L. Ryland, J. R. Norton, D. Buccella, A. Moscatelli 814. Enantioselective carboalumination of ␣-olefins. R. A. Petros, J. M. Camara, J. R. Norton 815. Examining the redox properties of bisphosphines with metallocene backbones. J. Berstler, C. Nataro 816. Alkane metathesis with a dual catalysts system and hydrogen transfer with alumina-supported pincer Ir catalyst. Z. Huang, E. C. Carson, M. Brookhart, S. Kundu, A. S. Goldman 817. Bis(indenyl)manganese complexes for use in charge transfer salts. J. A. Crisp, T. P. Hanusa, A. L. Rheingold

WEDNESDAY MORNING Section A Morial Convention Center Rm. R01 Metal-Organic Frameworks: What are They Good for

W. Lin and H-C. Zhou, Organizers B. Chen, Presiding 9:00 818. A metallosupramolecular square derived from a template-controlled [2+2] photodimerization in the solid state. S. C. Sommerfeld, D-K. Bucar, L. R. MacGillivray 9:20 819. Kinetic molecular sieving of oxygen, nitrogen and argon on a metalorganic framework material. B. Chen, X. Zhao, A. Putkham, A. J. Fletcher, E. Hurtado, K. Hong, K. M. Thomas 9:40 820. Metal-organic frameworks of complex organic links. Q. Li, O. M. El-Kadri, K. S. Jeong, N. Jeong, O. M. Yaghi 10:00 821. Assembly of metal-organic frameworks and polyhedra using biomolecular building blocks. N. L. Rosi 10:20 822. Loading of MOF-5 and MOF-177 with Cu and ZnO nanoparticles by gasphase infiltration with organometallic precursors: Properties of Cu/ZnO/MOF as catalysts for methanol synthesis. M. Mueller, S. Hermes, K. Kaehler, M. Muhler, R. A. Fischer 10:40 823. Magnetism of metal organic frameworks. P. T. Wood, R. A. Mole, G. F. Weldon, J. A. Stride, S. M. Humphrey 11:00 824. Metal organic rotaxane frameworks: Toward materials with dynamic internal components. S. J. Loeb, G. J. E. Davidson, D. A. Hoffart, L. K. Knight, E. Voljoen 11:20 825. Metal-organic frameworks (MOFs) with –Mn-O-Mn- connectivity: Interesting topologies and magnetism. S. Natarajan, P. Mahata 11:40 826. Metal-organic frameworks functionalized with urea hydrogen-bonding groups for selective anion separation. R. Custelcean, P. Remy, V. Sellin, D-E. Jiang, B. A. Moyer 12:00 827. Mixed-matrix membranes for gas separations using metal-organic frameworks. I. H. Musselman, E. V. Perez, M. J. C. Ordonez, Y. Zhang, K. J. Balkus Jr., J. P. Ferraris 12:20 828. MOFS as new materials for drug delivery. P. Horcajada, C. Serre, M. Sebban, F. Taulelle, M. Vallet-Regi, G. Ferey

12:40 829. Semiconducting metal-sulfurorganic network solids. T. P. Vaid, D. L. Turner, P. W. Stephens, K. H. Stone, A. G. DiPasquale, A. L. Rheingold

Section B Morial Convention Center Rm. R02 Cotton Memorial Symposium

T. J. Marks and R. D. Adams, Organizers J. P. Donahue, Presiding 9:00 830. Highly organized structures of metal complexes containing the 1,8naphthalimide synthon. D. L. Reger 9:30 831. Further studies of the reaction of Fe(II) with cyanide. S. A. Koch 10:00 832. Discoveries in the realm of inorganic chemistry, with emphasis on the characterization and exploitation of model compounds for the active sites in hydrogenase and iron-sulfur enzymes. M. Millar 10:30 833. Metal-metal multiply bonded groups as “ligands” to transition metals. J. F. Berry 11:00 834. Single-crystal-to-single-crystal reactivity in cobalt cubanes. L. R. Falvello, I. Mayoral, T. Soler, M. Tomás 11:30 835. Syntheses, structural characterizations, and potentially useful applications for group VI oxygen-containing monomers, dimers and tetramers. R. L. Luck, L. Feng, A. Jimtaisong, A. G. Markon, S. Sreehari, G. Wang 12:00 836. Tunable supported organoiridium catalysts for alkane dehydrogenation. A. P. Sattelberger, R. T. Baker, H. Li, C. L. Marshall, M. T. Janicke, M. Balasubramanian

Section C Morial Convention Center Rm. R03 Alfred Bader Award in Bioinorganic or Bioorganic Chemistry: Symposium in Honor of Lawrence Que, Jr: The Chemistry and Biology of Nonheme Iron Friends and Mentees

A. S. Borovik and S. S. David, Organizers E. L. Que, Presiding 8:30 Introductory Remarks. 8:35 837. Dioxygen reactivity of Ni(II) enolate and enediolate complexes. L. M. Berreau, K. Rudzka, E. Szajna-Fuller, E. V. Rybak-Akimova, T. Borowski, A. M. Arif 8:55 838. Compounds that mimic the ancient past: Synthetic analogs of iron-sulfur clusters. P. L. Holland, B. D. Stubbert, J. Vela 9:15 839. Design of artificial monooxygenases: Catalysis of sulfide oxidation and reductive activation of dioxygen for aromatic hydroxylation. S. Menage 9:35 840. Development of materials and nanoparticles for the binding and activation of nitric oxide. J. G. Nguyen, C. A. Johnson, B. Subramaniam, A. S. Borovik 9:55 841. Hydrogen-bonding in coordination complexes with ureato and guanidine groups. R. C. Scarrow, S. T. Kleespies, K. A. A. Clark, J. V. Suell, M. L. Eppright, A. S. Borovik, D. R. Powell 10:15 842. Structures and reactivity of copper(I) complexes with various N2, N3, and N4 ligands. K. Fujisawa


10:35 843. Alkene aziridination and alkane amidation reactions are mediated by nonheme iron complexes. J. A. Halfen 10:55 844. Efficient bioinspired oxidation catalysis with nonheme iron complexes that challenge the heme paradigm for oxygenase action. M. Costas, A. Company, L. Gomez, I. Garcia-Bosch, A. Casitas, X. Ribas, M. Güell, J. M. Luis 11:15 845. Inhibition of the global metalloregulator FUR (ferric uptake regulator) with anti-FUR peptide aptamers. I. Michaud-Soret 11:35 846. Metallo-ROS in neuronal degenerative diseases. L-J. Ming, G. da Silva, W. Tay 11:55 847. Selective encapsulation of organic molecules in a metal-assembled cage. R. G. Harrison 12:15 848. Ruthenium-TPA complexes with heteroaromatic coenzymes. T. Kojima

Section D Morial Convention Center Rm. 220 ACS Award for Distinguished Service in the Advancement of Inorganic Chemistry: Symposium in Honor of Tobin Marks Catalysis with Metal Complexes

M. G. Kanatzidis, Organizer V. P. Conticello, Presiding 9:00 849. Are two cocatalysts better than one in the catalytic polymerization of propylene? S. Aharonovich, V. Volkis, B. Tumanskii, M. S. Eisen 9:30 850. Metal carbonyl complexes containing tin ligands and their applications to hydrogenation catalysis. R. D. Adams, E. Boswell, B. Captain, R. Raja, J. M. Thomas, E. Trufan 10:00 851. Bis(phenoxy-imine) group 4 metal alkyls: Synthesis, activation and olefin polymerization. H. Makio, T. Fujita 10:30 852. New catalysts for ring-opening polymerization and ring-enlargement of lactide and related cyclic esters. M. H. Chisholm 11:00 853. Developing electrophilic Ptcatalysts for poly-ene cyclization reactions. M. R. Gagné 11:30 854. Diastereospecific ion-pairing polymerization: A marriage between single-site cationic and anionic polymerizations. E. Y. X. Chen

Section E Morial Convention Center Rm. 218 Integration of Research and Education at the Frontiers of Inorganic Chemistry Curriculum

M. J. Geselbracht, Organizer A. R. Johnson, Organizer, Presiding 9:00 Introductory Remarks. 9:05 855. Integration of research and education at the frontiers of inorganic chemistry. A. R. Johnson, M. J. Geselbracht 9:25 856. K3PSe4{bull}2Se6: Exploratory synthesis results as first-year student research and an upper-level laboratory sequence. J. A. Cody 9:45 857. Inorganic materials research within the general chemistry laboratory curriculum. A. K. Bentley, N. Marshall, M. A. Hoch, S. Shih, G. C. Weaver, K-S. Choi 10:05 858. Incorporating multinuclear NMR spectroscopy in the inorganic chemistry course. C. V. Gauthier 10:25 859. From research to the teaching lab: Layered manganese oxides in the inorganic chemistry laboratory. S. Ching, R. P. Neupane, T. P. Gray 10:45 860. Integration of research experiences into the introductory chemistry curriculum: A collaborative multidisciplinary model investigating metal contamination of a local watershed. L. A. Watson 11:05 861. Teaching inorganic chemistry in an organic first curriculum. P. Baran

Section F Morial Convention Center Rm. 219 Photochemistry and Photophysics of Inorganic Systems

F. N. Castellano, Organizer, Presiding 9:00 862. Exciton and charge transport in organometallic materials. K. S. Schanze, J. R. Miller, J. R. Keller, Y. Li 9:30 863. Acids, bases, and the photochemistry of platinum(II) polypyridines. R. McGuire Jr., M. L. Clark, M. H. Wilson, D. R. McMillin 10:00 864. Photoredox reactions of Pt(II) terpyridine complexes. R. Schmehl, H. Hester, K. Lebkowsky, D. Kumaresan 10:30 Intermission. 10:45 865. Light driven generation of hydrogen from water using platinum(II) chromophores: Recent studies on charge separation and the nature of the catalyst. P. Du, J. Schneider, P. R. Jarosz, J. Zhang, R. Eisenberg 11:15 866. Vapochromic simple platinum(II) salts. S. D. Taylor, R. T. Hart Jr., L. J. Grove, J. A. Krause, W. B. Connick

Section G Morial Convention Center Rm. 217 Coordination Chemistry—Synthesis

W. A. Howard, Organizer T. W. Hayton, Presiding 9:00 867. Bimetallic complexes supported by a hexaanionic cryptand ligand. G. E. Alliger, R. Fu, B. Breiner, C. C. Cummins, D. G. Nocera 9:20 868. Strategies for the synthesis of complexes featuring uranium−nitrogen multiple bonding. A. R. Fox, C. C. Cummins 9:40 869. Redox chemistry of a diazoalkane complex and illustration of a nitride-tocyanide transformation at molybdenum. J. J. Curley, T. Murahashi, C. C. Cummins 10:00 870. Advances in P2 elimination from niobium diphosphaazide complexes, trapping reactions, and the assembly of P2-containing small molecules. N. A. Piro, C. C. Cummins 10:20 871. Synthesis of an AsP-eliminating niobium complex via the activation chemistry of molecular arsenic (As4). H. A. Spinney, N. A. Piro, C. C. Cummins 10:40 872. Synthesis and reactivity of dinuclear and mononuclear niobium octaphosphorus complexes and free organo-P8 clusters. B. M. Cossairt, C. C. Cummins 11:00 873. Derivatization of cyanide-bridged molecular clusters to enhance their physical and magnetic properties. F. Karadas, C. Avendano, E. J. Schelter, M. Shatruk, A. V. Prosvirin, K. R. Dunbar 11:20 874. Anion-␲ interactions and their effect on the anion-templation of polygonal metal architectures. I. D. Giles, B. L. Schottel, H. T. Chifotides, L. M. Pérez, K. R. Dunbar 11:40 875. The synthesis and coordination chemistry of the oxycarbahemiporphyrazines. N. V. Barone, W. S. Durfee, C. J. Ziegler 12:00 876. The metallation chemistry and characterization of the carbahemiporphyrazine. S. Sripothongnak, C. J. Ziegler, A. Cetin, W. S. Durfee

Section H Morial Convention Center Rm. 221 General Inorganic Chemistry

R. P. Houser, Organizer, Presiding 9:00 877. Synthesis of cobalt dinitrogen complexes and comparison to their iron analogs. K. Ding, W. Brennessel, A. Pierpont, T. R. Cundari, P. L. Holland

TECH–85

TECHNICAL PROGRAM

INOR 9:20 878. Synthesis of diamidato-bis(phosphanyl) transition metal complexes. C. J. A. Daley, R. A. Swanson, J. B. Gibbons, M. J. Ferguson, B. O. Patrick 9:40 879. A computational study of the small Zr(IV) polynuclear species. V. Pophristic, N. Z. Rao, N. M. Holerca 10:00 880. A new class of cooperative twoelectron transfer reagents. S. Chatterjee, L. J. Grove, T. W. Green, J. A. Krause, W. B. Connick 10:20 881. A survey of the lanthanide and main group charge transfer complexes supported by diazabutadiene (DAB), bis(imino)acenaphthene (BIAN) and related ligands. K. V. Vasudevan, A. H. Cowley 10:40 882. Channeled metal isocyanide structures with extended metallophilic interactions. A. J. Miranda, I. M. Sluch, Y. A. Wanniarachchi, L. M. Slaughter 11:00 883. Characterization of second coordination shell host-guest assemblies and binding selectivities by Electrospray Ionization Mass Spectrometry. E. M. Tristani, G. R. Dubay, A. L. Crumbliss 11:20 884. Conducting metallopolymers of bipyridyl-derivatized polyfluorenes with enhanced solubility and diminished aggregation. A. E. Dennis, S. He, R. C. Smith 11:40 885. Coupled proton-electron transfer reactions with a ruthenium terpy-carboxylate complex: How far can the base be from the metal? V. W. Manner, A. G. DiPasquale, J. M. Mayer

WEDNESDAY AFTERNOON Section A Morial Convention Center Rm. R01 Metal-Organic Frameworks: What are They Good for

W. Lin and H-C. Zhou, Organizers K. T. Holman, Presiding 1:50 886. Banasorb, a novel water-resistant adsorbent with MOF structure. Z. Ni, T. Wu, C. Hu, R. I. Masel 2:10 887. Growth of oriented metalorganic frameworks on self-assembled monolayers. C. Scherb, E. Biemmi, T. Bein 2:30 888. Porous metal-organic structures from silicon based ␤-diketone ligands. Y. S. Marcos, C. Pariya, Y. Zhang, J. N. Ngunjiri, B. R. Lewandowski, J. C. Garno, F. R. Fronczek, A. W. Maverick 2:50 889. Self-assembly of ion-pair complexes. W. L. Leong, J. J. Vittal 3:10 890. Solid state photochemical [2+2] cycloaddition reaction of 1D hydrogenbonded Zwitterionic lead(II) complex and its isomerization in solution. A. M. Puthan Peedikakkal, L. L. Koh, J. J. Vittal 3:30 891. Step by step route for the synthesis and growth of metal organic frameworks on functionalized organic surfaces. O. Shekhah, H. Wang, D. Zacher, H. Parala, R. A. Fischer, C. Wöll 3:50 892. Zeolitic imidazolate frameworks containing hetero links: A new potential for selectively carbon dioxide reservoir. A. Phan, R. Banerjee, O. M. Yaghi 4:10 893. Synthesis, physisorption and catalytic properties of Pd/MOF-5. S. Kaskel, H. Antje, M. Sabo, E. Klemm 4:30 894. Tuning linker-based luminescence in metal-organic frameworks. C. A. Bauer, T. L. Kinnibrugh, T. V. Timofeeva, F. P. Doty, B. A. Simmons, M. D. Allendorf 4:50 895. Synthesis and characterization of functionalized metal phosphonate frameworks. H. P. Perry, J. Law, A. Clearfield 5:10 896. Zeolitic imidazolate frameworks with exceptional chemical and thermal stability. B. Wang, A. P. Côté, H. Furukawa, O. M. Yaghi


86–TECH

3:25 911. Human pirin is a nonheme iron protein. R. Fu, A. Liu 3:45 912. Small molecule models of manganese containing enzymes. M. P. Mehn

Section F

Morial Convention Center Rm. R02 Cotton Memorial Symposium

Section D

Spectroscopy of Inorganic Systems

T. J. Marks and R. D. Adams, Organizers


F. N. Castellano, Organizer

Section B

J. T. Mague, Presiding 1:50 897. Align coordinatively unsaturated metal centers in metal-organic frameworks (MOFs) to improve their hydrogen uptake. H-C. Zhou, X-S. Wang, D-Q. Yuan 2:20 898. Comparison of isoelectronic binuclear benzenemanganese, cyclopentadienyliron, and cyclobutadienecobalt carbonyls. R. B. King, H. Wang, Y. Xie, H. F. Schaefer III 2:50 899. On the relative roles of 5f and 6d orbitals in uranium metal-ligand bonds. D. L. Clark, E. R. Batista, K. S. Boland, C. J. Burns, S. D. Conradson, S. A. Kozimor, R. L. Martin, D. E. Schwarz, M. P. Wilkerson, L. E. Wolfsberg, P. Yang 3:20 900. Synthesis of multimetallic mixed dithiolene-phosphine complexes. J. P. Donahue, K. Arumugam, R. Yu, T. G. Gray, D. Villagrán, J. T. Mague 3:50 901. Plastically crystalline mesophases of the Muetterties complexes (␩3-2RC3H4)ML3 (M = Co–Ir). K. R. Pörschke, C. Creusen, A. Rufinska, R. Goddard, C. Weidenthaler 4:20 902. Flavones for metal complexation and network formation. D. J. Timmons, J. P. Sculley, A. A. Bernas, M. R. Pacheco 4:40 903. Controlling the magnetism in diruthenium guanidinate complexes by modifications in the ligand bite angle. M. D. Young, C. A. Murillo, F. A. Cotton 5:00 904. Exploring the reactivity of highly oxidized compounds with metal-metal bonds. G. M. Chiarella, F. A. Cotton, C. A. Murillo

Section C Morial Convention Center Rm. R03 Alfred Bader Award in Bioinorganic or Bioorganic Chemistry: Symposium in Honor of Lawrence Que, Jr: The Chemistry and Biology of Nonheme Iron Mentees

A. S. Borovik and S. S. David, Organizers M. Costas, Presiding 1:20 Introductory Remarks. 1:25 905. Arylthiolate coordination and reactivity at high-spin nickel(II) complexes. M. Jensen, S. K. Chattopadhyay, T. Deb, H. Ma, J. L. Petersen, V. G. Young Jr. 1:45 906. Bioinspired chemistry of vanadium complexes in an S-rich ligation environment. H-F. Hsu, W-C. Chu, Y-H. Chang, Y-F. Tsai, C-C. Wu, T-K. Yu, W-Y. Wong 2:05 907. Regulation and O2-activation in heme A biosynthesis. E. L. Hegg, Z. Wang, B. Khodaverdian 2:25 908. Copper-responsive magnetic resonance imaging contrast agents: Synthesis and applications. E. L. Que, C. J. Chang 2:45 909. DNA and catalysis: From artificial nucleases to enantioselective DNA-based catalysis. G. Roelfes 3:05 910. Biomimetic hydrocarbon oxidations catalyzed by nonheme metal(III) complexes with peracids. C. Kim, S. H. Lee, S. H. Kim, B. K. Park



P. Anzenbacher Jr., Presiding ACS Award for Distinguished Service in the Advancement of Inorganic Chemistry: Symposium in Honor of Tobin Marks Coordination Chemistry

1:50 913. Bowl-shaped phosphines and phosphines having a 2,3,4,5-tetraphenylphenyl moiety: Applications in palladium catalyzed reactions. Y. Tsuji 2:20 914. Enantioselective SN2⬘-allylic alkylation catalyzed by copper-carbene complexes. S. Hong 2:50 915. Hybrid mesoporous silicas as the basis for light-activated metal ion separations media. M. A. Firestone, C. T. Burns, M. L. Dietz, B. Lee, S. Lee 3:20 916. Report on metal-to-metal-donoracceptor bonds. P. W. Roesky, M. T. Gamer, M. Wiecko, S. N. Konchenko 3:50 917. Synthesis and structure of a new pyrrolidine-substituted constrained geometry organothorium complex. A. M. Seyam, C. L. Stern, T. J. Marks 4:10 918. The chemistry of silicon(II) and germanium(II) compounds. H. W. Roesky

2:00 929. Excited state mixed valence spectroscopy in two- and three-chromophore molecules. J. I. Zink, J. V. Lockard, R. Hoekstra, S. F. Nelsen 2:30 930. The influence of spin and spin polarization on the steady-state and timeresolved spectroscopic properties of transition metal complexes. J. K. McCusker 3:00 931. Ultrafast exciton dynamics in OLED materials. P. Anzenbacher Jr. 3:30 Intermission. 3:45 932. Structural dynamics of photoactive metal complexes in solar energy conversion. L. X. Chen, X. Zhang, E. C. Wasinger, G. B. Shaw, K. Attenkofer, G. Jennings 4:15 933. Ligand structure and conformational dynamics for control of photoinduced electron transfer rates. N. H. Damrauer, H. A. Meylemans 4:45 934. Photoinduced and dark bimolecular reactions in aqueous solutions of ruthenium (II)-tris-(2,2’-bipyridine) upon high intensity femtosecond laser excitation. A. N. Tarnovsky 5:05 935. Photoinduced transient dipole measurements of platinum (II) diimine complexes. S. N. Smirnov, J. E. McGarrah, J. T. Hupp

Section E

Section G



Integration of Research and Education at the Frontiers of Inorganic Chemistry Laboratory

Organometallic Synthesis

A. R. Johnson and M. J. Geselbracht, Organizers

B. J. Frost, Presiding

M. G. Kanatzidis, Organizer M. A. Firestone, Presiding

L. A. Watson, Presiding 1:50 919. NSF perspectives on the integration of research and education in inorganic chemistry. C. A. Bessel 2:15 920. Blending inorganic undergraduate research and teaching at a PUI. G. M. Ferrence 2:40 921. An ageless pedagogical challenge made seemingly more acute: Juggling the “canon”, temporal realities, and the integration of modern research questions in advanced inorganic chemistry curricula. P. J. Fischer 3:00 922. Integrating teaching and research at Trinity University. B. D. Chandler, N. S. Mills 3:20 923. Pedagogy in the teaching lab inspired by mentoring undergraduate research: Descriptive inorganic chemistry at Knox College. T. W. Clayton Jr. 3:40 924. Spectroscopic techniques at national synchrotron radiation sources: Opportunities for enhancing your undergraduate research program. K. L. M. Holman 4:00 925. Using advanced inorganic laboratory to expose students to undergraduate research projects. W. E. Lynch 4:20 926. University/PUI collaborative model for first-year (freshman) undergraduate research. C. L. Mertzenich, D-K. Bucar, P. V. Dau, L. R. MacGillivray 4:40 927. Research experience in the sophomore level laboratory sequence: A bridge to undergraduate research. B. A. Reisner, D. S. Amenta, K. L. Caran, J. Gilje, S. B. Lewis, K. P. C. Minbiole, D. L. Mohler 5:00 928. A distributed approach to solving the problem of splitting water with sunlight. B. A. Parkinson

B. T. Donovan-Merkert, Organizer

1:30 936. Cyclic denitrogenation of N-heterocycles utilizing a reactive titanium species. A. R. Fout, B. C. Bailey, J. Tomaszewski, D. J. Mindiola 1:50 937. Reactivity of inert bonds with electrophilic ferrocene diamide complexes. P. L. Diaconescu, M. J. Monreal, C. T. Carver 2:10 938. Development of novel phosphine ligands derived from the water-soluble 1,3,5-triaza-7-phosphaadamantane. B. J. Frost, G. W. Wong, R. Huang, W-C. Lee 2:30 939. Neutral organocopper(III) complexes. C. A. Ogle, E. R. Bartholomew, S. H. Bertz, S. K. Cope, D. C. Dorton, M. D. Murphy 2:50 Intermission. 2:55 940. Complexes of nickel supported by a rigid chelating bisphosphine ligand. V. M. Iluc, G. L. Hillhouse 3:15 941. Synthesis, structure, and spectroscopy of silapentadienyl-iridium-phosphine complexes. T. Thananatthanachon, J. R. Bleeke, N. P. Rath 3:35 942. Synthesis, structure and complexes of triiminomethylphosphine and trisubstituted 1,3,5-triaza-7-phosphaadamantane ligands. R. Huang, B. J. Frost 3:55 943. Facile synthesis of chiral bis(acyclic diaminocarbene) palladium(II) catalysts for asymmetric aza-claisen rearrangements of allylic imidates. Y. A. Wanniarachchi, A. J. Miranda, L. M. Slaughter 4:15 Intermission. 4:20 944. Synthesis, characterization, and reactivity of early and late transition metals bearing tripodal heteroscorpionate ligands. J. H. Orlando, D. J. Mindiola 4:40 945. Uranium alkyl complexes supported by a ferrocene diamide ligand. M. J. Monreal, P. L. Diaconescu 5:00 946. Synthesis, structure, and spectroscopy of thiapentadienyl-cobalt complexes. B. Lutes, J. R. Bleeke, N. P. Rath

INOR 5:20 947. Two novel molybdenum(VI) hydrogen-bonded network polymers with catalytic activity. H. Ding, G. Wang, Y. Luan, Y. Wang, M. Yang

Section H Morial Convention Center Rm. 221 Chemistry of Materials

D. J. Nelson and D. C. Crans, Organizers A. Ivanisevic and L. H. Doerrer, Presiding 1:50 948. Luminescent and magnetic ionic liquid crystals. A. V. Mudring, A. Getsis 2:10 949. Material transformations: Interfacial reactivity and metastable intermediates. S. Leoni 2:30 950. Sonogashira catalyst systems immobilized on oxide supports: New insights by classical solid-state and suspension NMR. J. Bluemel, T. Posset 2:50 951. A paradigm of an intra-layer site activated nanosheet phosphor: La0.90Eu0.05Nb2O7. T. C. Ozawa, K. Fukuda, K. Akatsuka, Y. Ebina, T. Sasaki 3:10 952. Adjustment of carbon nanotube point of zero charge by chemical modification. C. C. Chusuei, M. McPhail, Z. He 3:30 953. Control of photomagnetic behavior in heterobimetallic Prussian Blue analogs. P. J. van Koningsbruggen, E. J. M. Vertelman, H. Tchouka 3:50 954. Electronic structure of potential organic semiconductor CuO2N2 compounds via XES and XAS studies. R. J. Allenbaugh, A. DeMasi, L. F. Piper, K. E. Smith, L. H. Doerrer 4:10 955. First-principles examination of the Co-Fe-Al oxide spinel system for water splitting. A. Walsh, Y. Yan, M. Al-Jassim, S-H. Wei 4:30 956. LiAsS2 and NaAsS2: Direct band gap highly polar and nonpolar semiconductors. T. K. Bera, J-H. Song, A. J. Freeman, J. I. Jang, J. B. Ketterson, M. G. Kanatzidis 4:50 957. Precatalyst and single source precursor for Au/TiO2SMSI catalyst. M. Rohe, K. Merz, N. Metzler-Nolte 5:10 958. Reversible light-induced magnetization changes in an iron(II) complex at room temperature. Y. Hasegawa, S. Kume, H. Nishihara 5:30 959. Wide-gap iron sulfides for polycrystalline thin-film solar cells. H. A. S. Platt, R. Kykyneshi, J. Tate, D. A. Keszler 5:50 960. The relation between dielectric constant and frequency of chemical bond in hybrid materials. D. Wang, L. Hu, Y. Song, C. Song, Y. Liu

THURSDAY MORNING Section A Morial Convention Center Rm. R01 Metal-Organic Frameworks: What are They Good for

W. Lin and H-C. Zhou, Organizers C. L. Cahill, Presiding 9:00 961. Designed synthesis and sorption studies of 3-D covalent organic frameworks. J. R. Hunt, H. Furukawa, H. M. El-Kaderi, A. P. Côté, O. M. Yaghi


9:20 962. In situ X-ray diffraction studies of host-guest properties in a series of porous triazolate-based frameworks. G. J. Halder, K. W. Chapman, L. K. Engerer, R. J. Funk, U. Geiser, L. A. Curtiss, J. A. Schlueter 9:40 963. Synthesis of mixed-metal MOFs via hard-soft selective binding. D. J. Collins, H-C. Zhou 10:00 964. High throughput synthesis and discovery of zeolitic imidazolate frameworks. R. Banerjee, A. Phan, C. B. Knobler, O. M. Yaghi 10:20 965. Kinetic quantum isotope sieving of hydrogen and deuterium confined in metal-organic framework pores. B. Chen, X. Zhao, A. Putkham, K. Hong, E. B. Lobkovsky, E. Hurtado, A. J. Fletcher, K. M. Thomas 10:40 966. Metal-organic frameworks based on 3-D transition metal ions and TCNQX derivatives: (X : F4, Br2). N. Lopez, H. Zhao, A. V. Prosvirin, E. W. Reinheimer, K. R. Dunbar 11:00 967. Microporous metal-organic frameworks with high methane uptake. S. Ma, H-C. Zhou 11:20 968. Microwave synthesis of zeolitic imidazole frameworks. J. A. Losilla, K. J. Balkus Jr. 11:40 969. Molecular simulation of gas adsorption in IRMOF-1 using a flexible force field. J. A. Greathouse, T. L. Kinnibrugh, M. D. Allendorf 12:00 970. Monitoring guest diffusion in MOF materials. C. Chmelik, M. Wehring, L. Heinke, D. Tzoulaki, P. Kortunov, F. Stallmach, J. Kärger 12:20 971. Nanoscale metal-organic frameworks: Synthesis, characterization, and potential applications. W. J. Rieter, K. M. Taylor, W. Lin 12:40 972. Novel transition metal terephthalate frameworks: Structural and electrical properties. C. G. Carson, S. S. Jung, R. A. Gerhardt, R. Tannenbaum 1:00 973. Porous metal-organic frameworks constructed from a tetrakis(4-carboxyphenyl)porphyrin (TCPP) building block. N. Smythe, L. Beauvais

Section B Morial Convention Center Rm. R02 Integration of Research and Education at the Frontiers of Inorganic Chemistry Research

A. R. Johnson and M. J. Geselbracht, Organizers B. A. Reisner, Presiding 9:00 974. Group exercises in inorganic chemistry: “Inorganic Challenges”. P. L. Holland 9:20 975. Cooperativity in hydrogen bonding. R. L. DeKock, L. A. Schipper, S. C. Dykhouse 9:40 976. Synthesis and characterization of metallotropic liquid crystals: Collaborative research in soft materials. R. E. Bachman, B. Monks 10:00 977. Doing mechanistic organoplatinum chemistry with undergraduate researchers. B. S. Williams, M. Scheuermann, B. L. Madison 10:20 978. How bisphosphinometallocenes changed my life. C. Nataro 10:40 979. Metal-organic frameworks in ionic liquids: Choosing a cutting edge research project appropriate for lower division undergraduates. H. J. Eppley 11:00 980. NMR Studies of aerosol-OT reverse micelles with alkali and magnesium counterions. M. L. Stahla, D. Crans, N. E. Levinger 11:20 981. Rare earth doped materials: A continuing collaborative project in chemistry and physics. K. S. Brewer, A. J. Silversmith, D. M. Boye 11:40 982. Structures and reactivities of synthetic models for rubisco: Undergraduate research in inorganic chemistry at a small public liberal arts college. C. J. Gramer, S. A. Hilderbrand, J. E. Horowitz, O. J. Martin, J. Midgette, S. E. Novaes-Card, D. Odom, R. Schmidt, K. E. Wheeler, S. E. Sherman

F. N. Castellano, Organizer

11:00 1002. Synthesis of cobalt(II)- and cobalt(III)-containing metallomacrocycles from ditopic 2,2’:6’,2⬘-terpyridine ligands with flexible spacers. K. Harris, E. C. Constable, C. E. Housecroft, M. Neuburger, S. Schaffner 11:20 1003. Spontaneous self-assembly reactions based on a bis(benzene-odithiol) ligand. B. Birkmann, F. E. Hahn 11:40 1004. Synthesis and first complexes of new benzene-o-dithiol/pyridylimine ligands. J. Dömer, F. E. Hahn

A. N. Tarnovsky, Presiding

Section E

9:00 984. Photocatalytic behavior of PbS/ TiO2 nanotubes for degradation of organic dyes. C. Ratanatawanate, C. Xiong, K. J. Balkus Jr. 9:20 985. Ultrafast dynamics in the MLCT excited states of Ru(II) and Os(II) coordination complexes. J. M. Papanikolas 9:40 986. The observation of a vibrationally structured emission spectrum from Cr(VI) sites in the silicalite-2 lattice. Y. Tao, A. Lita, B. van de Burgt, A. E. Stiegman 10:00 987. Electronic spectroscopy and photochemistry of group 8 metallocenes. C. Kutal, M. J. Morgan, J. E. Sinclair 10:20 988. Energy transfer in dry grind mixtures of terbium-mixed metal dicyanides. J. Ford, H. J. Tracy, A. Carrier, J. L. Mullin 10:40 989. Photophysics, photochemistry, and electrochemistry of metal complexes incorporated in layered zirconium phosphate frameworks. J. L. Colón, E. J. Rivera, A. Díaz, B. Casañas, M. B. Santiago, A. A. Martí, R. A. Bermúdez 11:00 990. Electronic buffering in metalthiolate d␲-p␲ interactions: Implications to biological and organometallic redox centers. M. A. Cranswick, N. E. Gruhn, J. H. Enemark, D. L. Lichtenberger 11:20 Intermission. 11:40 991. Photophysical studies of 2-phenyl-5-nitropyridine Pt diketonates. M. D. Perez, P. I. Djurovic, K. Aznavour, R. Bau, M. E. Thompson 12:00 992. Interactions of energetically proximate excited-states in platinum(II) charge-transfer complexes. A. A. Rachford, S. Goeb, E. Shikhova, F. N. Castellano 12:20 993. Multicolored temperature dependent luminescence for boron bis(dibenzoylmethane) salts. G. Zhang, J. N. Demas, C. L. Fraser 12:40 994. NMR chemical shifts in polymeric inorganic solids: A quantum chemical investigation. Y. Zhang, E. Oldfield 1:00 995. Intramolecular electron transfer in octanuclear mixed-valence iron pyrazolato clusters. I. Chakraborty


12:00 983. Mimicking hydrogenase enzyme reactivity using simple water-soluble transition metal complexes. P. S. Wagenknecht

Section C Morial Convention Center Rm. R03 Spectroscopy of Inorganic Systems

Section D Morial Convention Center Rm. 220 Coordination Chemistry—Synthesis

W. A. Howard, Organizer P. J. Fischer, Presiding 9:00 996. Assembly of heterobimetallic trigonal bipyramidal clusters: A new approach to big supramolecular cavities. F. Hupka, F. E. Hahn 9:20 997. Formation of the heterobimetallic triple-stranded helicate: A molecular switch. M. Offermann, F. E. Hahn 9:40 998. [(2-(Diphenylphosphino)ethyl)cyclopentadienyl]tricarbonylmetalates: Supporting ligands for reactions at group VI metalcopper bonds. P. J. Fischer, A. P. Heerboth, Z. R. Herm, B. E. Kucera 10:00 999. Use of solvolytically removable sulfur protective groups: A new approach to acetylenedithiolate complexes? M. J. Meel, W. W. Seidel 10:20 1000. Coordination chemistry design of silver(I) systems with substituted and unsubstituted bipyridine ligands. F. Hung-Low, A. Renz, K. K. Klausmeyer 10:40 1001. Trends in d8 metal pyridyl carboxylate rings and polymers. P. Teo, T. S. A. Hor

Synthesis and Characterization of Materials

R. P. Houser, Organizer J. C. Noveron, Presiding 9:00 1005. Catalytically tailored siloxypolybutadienes: Synthesis and properties. B. P. S. Chauhan, A. Sarkar, B. Balagam 9:20 1006. Crystal and electronic structures of novel sulfide photocatalysts. V. Petrykin, I. Tsuji, M. Kakihana, A. Kudo 9:40 1007. Cyanogel synthesis of metal alloys from sponges to nanoparticles. A. B. Bocarsly, C. M. Burgess, M. Vondrova 10:00 1008. FOX-7: A polymorphic energetic material. J. Evers, T. M. Klapötke, P. Mayer, G. Oehlinger, J. M. Welch 10:20 1009. Inverse clathrate with a significant nonstoichiometric compositional range. Z. Jin, Z. Tang, A. Litvinchuk, A. M. Guloy 10:40 1010. Oriented film growth of metal oxides promoted by one-nanometer-thick seed layer of unilamellar inorganic nanosheets. T. Shibata, Y. Ebina, T. Kogure, T. Sasaki 11:00 1011. SBE type aluminophosphate nanoporous materials: Synthesis and detemplation. D. S. Belén-Cordero, A. J. Hernández-Maldonado 11:20 1012. Self-assembly synthesis of porous inorganic materials mediated by poly-l-lysine. J. Zhu, B. Y. Tay, J. Ma 11:40 1013. Stereochemically defined Ru,Pt supramolecular complexes: Mixed-metal complexes bridged by 2,3,5,6-Tetrakis(2pyridyl)pyrazine. S. Zhao, C. Slebodnick, K. J. Brewer 12:00 1014. Synthesis of functionalized metal thiophenedithiolenes as routes to metal dithiolene containing conjugated polymers. C. M. Amb, S. C. Rasmussen

Section F Morial Convention Center Rm. 219 Inorganic Materials in Nanoscience— Synthesis

D. J. Nelson, Organizer T. Sakai and N. Shukla, Presiding 9:00 1015. Iron phosphide nanomaterials from molecular precursors. A. Kelly, I. Rusakova, K. H. Whitmire 9:20 1016. On doping semiconductor nanocrystals. Y. C. Cao 9:40 1017. Probing structure-parameter correlations in the molten salt synthesis of BaZrO3 perovskite submicrometer-sized particles. H. Zhou, Y. Mao, S. S. Wong 10:00 1018. Rapid synthesis of Ag nanowires. S. E. Skrabalak, K. E. Korte, Y. Xia 10:20 1019. Shape controlled rhodium nanoclusters. M. J. McMurdo, A. P. Alivisatos, T. D. Tilley 10:40 1020. Solvothermal synthesis of lead sulfide nanostructures from single-source precursors. T. Mandal, V. Stavila, K. H. Whitmire 11:00 1021. Surface reconstruction effects on the structural evolution of gold nanorods. M. Bockstaller, H. Keul, M. Moeller 11:20 1022. Surfactant-free metal nanoparticles synthesized with a sonochemical method: Control of size, shape and colloidal stability. T. Sakai, H. Enomoto, H. Sakai, M. Abe

TECH–87

TECHNICAL PROGRAM

INOR 11:40 1023. Synthesis of hexagonally shaped Pt nanoparticles for catalysis. N. Shukla, M. Nigra, A. J. Gellman, T. Nuhfer, C. Matranga, G. Veser 12:00 1024. Template-free aqueous solution synthesis of homogeneous CdMoO4 core-shell microspheres and their optical properties. W. Wang Sr., L. Zhen, C. Xu, W. Shao 12:20 1025. Quasi 1-D zinc phosphide nanomaterials: Synthesis, purification and properties. L. Mai, Y. Gao, W. Chen, B. Hu, Y. Liu, Y. Dai

Section G Morial Convention Center Rm. 217 General Inorganic Chemistry

D. C. Crans and D. J. Nelson, Organizers N. L. Rosi, Presiding 9:00 1026. Coordination of lanthanides in ionic liquids. A. V. Mudring, S. Tang, A. Babai 9:20 1027. Magnetite biosynthesis and magnetosome chain formation in magnetosphirillum. B. F. Matzanke, L. H. Boettger, D. Faivre, D. Schueler 9:40 1028. Molecular design for hybrid donor type ligands with oxygen and nitrogen for simultaneous separation of actinides (III, IV, VI) from lanthanides (III). T. Yaita, T. Kobayashi, S. Suzuki, H. Shiwaku, Y. Okamoto, K. Akutsu 10:00 1029. Structural mimics and modes of substrate binding to the active site of xylose/glucose isomerases. G. T. Musie, M. Bera, A. B. Curtiss, A. Saha, D. R. Powell, K. K. Klausmeyer 10:20 1030. Synthesis and characterization of a series of potential anticancer agents: Phenanthrenequinone thiosemicarbazone palladium complexes. R. C. Huxford, E. C. Lisic

Section H Morial Convention Center Rm. 221 Bioinorganic Chemistry: DNA and RNA

D. C. Crans, Organizer P. Chen, Presiding 9:00 1031. Effect of metal ions on the folding and activity of a DNAzyme. N. Nagraj, H-K. Kim, D. Mazumdar, Y. Lu 9:20 1032. Metallobiochemistry of RNA: Ribozymes as metalloenzymes. V. J. DeRose, W. L. Ward, S. M. Wood, Z. James 9:40 1033. Platinum phenanthroimidazole complexes as G-quadruplex binders. R. E. Kieltyka, J. Fakhoury, N. Moitessier, H. Sleiman 10:00 1034. Charge migration along double stranded oligonucleotides: Hole vs. electron transport. B. Elias, J. K. Barton 10:20 1035. Development of an electrochemical assay for the products of transcription. M. C. Buzzeo, J. K. Barton 10:40 1036. Kinetics of ground-state electron transfer through DNA. P. Wang, A. M. Vega, A. L. Eckermann, M. R. Wasielewski, T. J. Meade 11:00 1037. Withdrawn. 11:20 1038. Probing metalloregulator-DNA interactions at the single-molecule level with engineered Holliday junctions. P. Chen 11:40 1039. Study of the immobilization of ds-DNA on ODPA/Zr monolayers to probe ds-DNA/protein interactions. J. Monot, S. M. Lane, I. Guisle, M. Petit, J. Léger, C. Tellier, D. R. Talham, B. Bujoli


88–TECH

THURSDAY AFTERNOON Section A Morial Convention Center Rm. R01 Metal-Organic Frameworks: What are They Good for

4:30 1055. Topotactic route for new layered perovskite oxides containing halogens. T. Sivakumar, J. B. Wiley

Section E Morial Convention Center Rm. 218

Section C Frontiers in Organometallic Chemistry Morial Convention Center Rm. R03

B. T. Donovan-Merkert, Organizer

Chemistry of Materials

S. P. Nolan, Presiding

D. J. Nelson and D. C. Crans, Organizers

1:30 1070. Covalency trends in metallocene dichlorides (M=Ti, Zr, Hf, Th, U): Theoretical study of K-edge XAS spectra. P. Yang, E. R. Batista, P. J. Hay, R. L. Martin, K. S. Boland, C. J. Burns, C. N. Christensen, D. L. Clark, S. D. Conradson, D. E. Schwarz, M. P. Wilkerson, L. E. Wolfsberg 1:50 1071. Covalency trends in metallocene dichlorides (M = Ti, Zr, Hf, Th, U). A chlorine K-edge XAS study. S. A. Kozimor, E. R. Batista, K. S. Boland, C. J. Burns, C. N. Christensen, D. L. Clark, S. D. Conradson, P. J. Hay, R. L. Martin, D. E. Schwarz, M. P. Wilkerson, P. Yang 2:10 1072. Asymmetric coordination polymerization of functionalized vinyl monomers by group 4 metallocene catalysts. G. Miyake, E. Y-X. Chen 2:30 1073. Cyclic hydrodefluorination of fluorinated hydrocarbons by a transient titanium alkylidyne. D. L. Miller, A. R. Fout, J. L. Scott, B. C. Bailey, D. J. Mindiola 2:50 1074. Kinetics and thermodynamics of C-H activation of methane via LnM=E catalysts. A. Pierpont

W. Lin and H-C. Zhou, Organizers P. M. Forster, Presiding 1:30 1040. A blueprint for novel MOF morphologies from in silico experiments. S. Leoni, I. Baburin 1:50 1041. Designed metal-organic framework: Networking metal-organic cuboctahedra into a cubic close packing arrangement. Y. Zou, M. Park, S. Hong, M. Lah 2:10 1042. Anions in framework materials: From gas storage to postsynthetic modification. S. S. Iremonger, C. J. Kepert 2:30 1043. Flexible lattice models for the simulation of MOFs: Importance for guest diffusion and host-guest interactions. R. Schmid, S. Amirjalayer, M. Tafipolsky 2:50 1044. Functional framework material and the importance of pressure. K. W. Chapman, G. J. Halder, P. J. Chupas 3:10 1045. Functional porphyrin frameworks: From hydrogen storage to catalysis. W. Choe, P. M. Barron, C. A. Wray, E. Y. Choi

Section B Morial Convention Center Rm. R02 Synthesis and Characterization of Materials

R. P. Houser, Organizer M. A. Petrukhina, Presiding 1:30 1046. Luminescent colloidal silica. R. B. Soriano, T. A. Schmedake 1:50 1047. Poly(ferrocenylene)s with tetracoordinated boron bridges. L. Kaufmann, M. Wagner 2:10 1048. Poly(ferrocenylene)s with tricoordinated boron bridges. U. D. Eckensberger, M. Wagner 2:30 1049. Di- and tetraphosphine linkers immobilized by a new, easy method: Novel scaffolds that diminish interactions of catalysts with oxide supports. J. Bluemel, B. Beele, Y. Yang 2:50 1050. Synthesis of helical m-aminobenzoic acid nanobelts via vaporizationcondensation-recrystallization process. S. M. Yoon, H. C. Choi 3:10 1051. Synthesis of Ni nanowires in microporous materials. A. G. Santos, L. Quinones Sr., J. Huertas, M. Martinez 3:30 1052. Synthesis of oxide materials using new water soluble titanium and tantalum complexes. V. Petrykin, M. Kobayashi, K. Tomita, M. Kakihana 3:50 1053. Synthesis, structure and properties of organic-based metal halide perovskites of mixed-valent gold (I, III). D. E. Gheorghe, Z. Tang, L. M. Castro-Castro, A. Newton, A. M. Guloy 4:10 1054. Thalliumchalcogenides as potential thermoelectrics. A. V. Mudring, F. Rieger


G. J. Ferraudi, T. Asefa, and K. Li, Presiding 1:30 1056. Reversible photoswitching of electronic communication between ferrocene moieties in bis(ferrocenyl)dimethyldihydropyrene. S. Muratsugu, S. Kume, H. Nishihara 1:50 1057. Morphology and reactivity of polymers prepared by covalently linking copper and cobalt sulfonated phthalocyanines to a polyacetamide backbone: Reactions of radicals with phthalocyanine pendants in the bundles of the polymer. G. J. Ferraudi, A. G. Lappin, G. T. Ruiz 2:10 1058. Chemical modification of III-V semiconductor materials. R. Flores, H. Wampler, A. Ivanisevic 2:30 1059. Fabrication of freestanding lead zirconate titanate actuators. J. G. van Bennekom, R. G. H. Lammertink, M. Wessling, W. Nijdam 2:50 1060. Microporous metal formates for the separation of hydrocarbons. K. Li, D. H. Olson, J. Lee, W. Bi, K. Wu, J. Li 3:10 1061. Multifunctional nanostructured materials and selective efficient catalysts: New synthetic strategies and their potential applications from catalysis to drug delivery. T. Asefa, A. Anan, R. Vathyam, Y. Xie, C. Duncan, S. Quinlivan, G. Wang, Y-L. Shi 3:30 1062. Nanoparticle precursors and phase selectivity in hydrothermal synthesis of zeolite beta. N. D. Hould, R. F. Lobo 3:50 1063. Postsynthesis organic functionalization of the internal surface of zeolite MFI. T-H. Bae, C-H. Cheng, R. R. Chance, S. Nair, C. W. Jones 4:10 1064. Synthesis of new ternary technetium oxides. E. E. Rodriguez, F. Poineau, A. Llobet, K. Czerwinski, A. K. Cheetham

Section D Morial Convention Center Rm. 220 Inorganic Catalysts

K. Kustin, Organizer S. Ciurli, Presiding 1:30 1065. New tartaric acid-derived bis(phosphite) ligands for the Rh catalyzed asymmetric hydroformylation of styrene. S. B. Owens Jr., G. M. Gray 1:50 1066. Polarized spins torque orbital dynamics for synchronized bond rearrangements and tautomerism: The Little effect. R. B. Little 2:10 1067. Mechanistic studies of alkane C-H activation with cationic diimine ligated platinum monomethyl systems. G. Chen, J. A. Labinger, J. E. Bercaw 2:30 1068. Neutron diffraction study of hydrogen adsorption in porous metalorganic frameworks. J. Luo, Y. Zhao, Y. Liu, H. Xu, C. M. Brown, L. L. Daemen, R. P. Currier 2:50 1069. Synthesis of self-supporting copper oxide aerogels via sol-gel route. C. Sisk, L. J. Hope-Weeks

Section F Morial Convention Center Rm. 219 Coordination Chemistry—Characterization and Applications

W. A. Howard, Organizer D. Dixon and C. W. Ingram, Presiding 1:30 1075. A new mononuclear copper(II) phenanthroline tyrosine complex for DNA binding and cleavage. P. R. Reddy, P. Manjula 1:50 1076. Cd(II) coordination and selective extraction by disulfonamide ion exchangers. M. Pattabiraman, R. J. Alvarado, J. M. Rosenberg, G. J. McManus, M. J. Zaworotko, K. Kavallieratos 2:10 1077. Synthesis and comparison of solid state and solution NMR studies of Cd(SeCN)2 and Hg(SeCN)2 with imidazolidine-2-thione, glycine and with histidine. A. Isab, M. Fettouhi 2:30 1078. Pentafluorophenyl-substituted scorpionate ligands. H. Vitze, M. Wagner 2:50 1079. A novel mononuclear 1:2 [Cu(II)(Trp-Trp)2Cl]- complex with DNA nuclease activity. P. R. Reddy, N. Raju

Section G Morial Convention Center Rm. 217 Bioinorganic Chemistry: Enzymes and Coenzymes

S. L. J. Michel, Organizer P. L. Holland, Presiding 2:00 1080. Cleavage reactivity of the [4Fe-4S] core in analogs and proteins. T. Ichiye 2:20 1081. Copper(I)-peptide complexes incorporating a histidyl-histidine binding motif: Consequences for structure and oxidative activity. R. A. Himes, G. Y. Park, N. J. Blackburn, K. D. Karlin 2:40 1082. Evidence that FeIIIEDTA(H2O)and related complexes react with superoxide by an inner-sphere mechanism. J. S. Summers, J. B. Baker, D. Meyerstein, A. Mizrahi, I. Zilbermann, H. Cohen, C. J. Wilson, E. Nantz, J. R. Jones

INOR/MEDI 3:00 1083. Insight into a monometallic enzyme active site using the synthetic analog approach. C. J. A. Daley, B. P. Abolins, J. K. Angelosante, D. T. Titus, D. L. Tierney

Section H Morial Convention Center Rm. 221 Chemistry of Lanthanides and Actinides

L. C. Francesconi, Organizer E. A. Boudreaux Sr., Presiding 1:30 1084. Cytotoxicity of the lanthanide ion doped upconversion nanocrystals and bioimaging. J. Shan, Y. Ju 1:50 1085. Deprotonation of dithiophosphinic acids: A theoretical study on activation barriers and solvent effects. A. Dinescu, M. T. Benson 2:10 1086. Withdrawn. 2:30 1087. Correlations between structure and magnetism in neptunium and plutonium selenites. T. H. Bray, A-G. D. Nelson, R. E. Sykora, P. M. Almond, R. G. Haire, S. Skanthakumar, L. Soderholm, T. E. Albrecht-Schmitt 2:50 1088. Plutonium coordination and covalency comparisons in An(III)/Ln(III) complexes. M. P. Neu, A. J. Gaunt, S. D. Reilly, A. E. Enriquez, B. L. Scott 3:10 1089. Redox chemistry and coordination of rare-earth elements in organic– soluble polyoxometalates. J. Jing, B. P. Burton-Pye, L. C. Francesconi, M. R. Antonio 3:30 1090. Structural trends in an extended series of lanthanide bis-hydroxychlorides Ln(OH)2Cl (Ln = Nd – Lu, except Pm and Sm). R. A. Zehnder, D. E. Hobart, D. L. Clark, B. L. Scott, W. H. Runde

MEDI Division of Medicinal Chemistry J. R. McCarthy, Program Chair SUNDAY MORNING Section A Morial Convention Center La Nouvelle, Blrm. A/B HIV-Integrase Inhibitors Financially supported by Merck Research Laboratories

J. Wai and C. U. Kim, Organizers 9:00 1. The history of integrase in HIV replication. F. D. Bushman 9:35 2. The discovery of Isentress: From bench to the clinic. D. Hazuda 10:10 3. Tricyclic HIV-1 integrase inhibitors: SAR studies and preclinical evaluations. H. Jin, M. Wright, S. Matobo, M. Mish, S. Jabri, R. Lansdown, M. Fardis, R. Cai, P. Pyun, R. Pastor, L. Schacherer, M. Tsiang, X. Chen, J. Chen, C. U. Kim 10:40 4. Naphthyridinone (NTD) integrase inhibitors: Discovery of the clinical candidate S/GSK364735. B. A. Johns 11:10 5. A potential second generation HIV-1 integrase strand transfer inhibitor with a high genetic barrier to mutation. W. Han, M. Egbertson, J. Wai, D. S. Perlow, L. S. Payne, J. Vacca, D. Hazuda, M. Miller, P. J. Felock, K. Stillmock, M. V. Witmer, L. J. Gabryelski, W. Schleif, J. Ellis, M. R. Anari, T. A. Lyle 11:40 6. Models of HIV-1 integrase/DNA complex. C. Liao, M. C. Nicklaus

Section B

SUNDAY AFTERNOON


Section A

General Oral Session Financially supported by Teledyne ISCO

J. R. McCarthy, Organizer 9:00 7. Design of a novel biphenyl class of CETP inhibitors. Z. Lu, J. B. Napolitano, A. Theberge, M. L. Hammond, E. Tan, X. Tong, S. S. Xu, M. J. Latham, L. B. Peterson, M. S. Anderson, S. S. Eveland, Q. Guo, S. A. Hyland, D. P. Milot, Y. Chen, C. P. Sparrow, S. D. Wright, P. J. Sinclair 9:20 8. DNA Ligase inhibitors identified via computational and experimental methods. S. Zhong, X. Chen, X. Zhu, G. M. Wilson, A. E. Tomkinson, A. D. MacKerell 9:40 9. Propylpiperidine-ketooxazole based inhibitors of Fatty Acid Amide Hyrolase. J. G. Breitenbucher, A. Timmons, M. Seierstad, R. Appodaca, M. Epperson, D. Pippel, S. Brown, B. Scott, S. Wilson, L. Chang, M. Webb, S. R. Chaplan 10:00 10. Antagonists of the calcium sensing receptor: Parathyroid hormone secretagogues. R. W. Marquis 10:20 11. Calcitonin gene-related peptide (CGRP) receptor antagonists for the treatment of migraine: Development of orally bioavailable imidazoazepanes. D. V. Paone 10:40 12. Novel series of CB2 selective agonists for the treatment of neuropathic pain. P. Diaz, J. Xu, F. Astruc Diaz, H-M. Pan, M. Naguib 11:00 13. Potent, brain-penetrant, hydroisoindoline-based human neurokinin-1 receptor antagonists. J. Jiang, J. L. Bunda, R. DeVita, S. G. Mills, G. G. Chicchi, M. Kurtz, K-L. Tsao, X. Tong, S. Zheng, G. Doss, R. Tschirret-Guth, E. J. Carlson, W. Eng 11:20 14. Radiolabeled multimeric chlorotoxin as a tumor–seeking radiodiagnostic agent. P. Misra, K. R. Bhushan, F. Liu, D. B. Jacoby, J. Frangioni 11:40 15. Multidentate small molecule inhibitors of VHR phosphatase: A new drug target for the treatment of cervical cancer. L. Tautz, A. V. Miletic, S. Wu, F. Cerigno, Y. Arimura, T. Vang, J. Vazquez, S. Williams, R. Henkens, T. Hayes, S. Vasile, S. Rahmouni, M. Pellecchia, T. Mustelin 12:00 16. Discovery of 2-acylindoles as potent, orally active human glucagon receptor antagonists. C. J. Sinz, A. Bittner, R. M. Kim, E. Brady, M. R. Candelore, V. D-H. Ding, G. Jiang, Z. Lin, A. Rouse Lins, P. McCann, C. Miller, K. Nam, S. A. Qureshi, G. Salituro, R. Saperstein, J. Shang, D. Szalkowski, L. Tota, M. Wright, R. Wang, S. Xu, X. Yang, B. Zhang, M. Hammond, J. Tata, E. Parmee 12:20 17. Synthesis and QSAR studies of CADA analogs wth CD4 down-modulating and anti-HIV activities. T. W. Bell RNA as a Drug Target Sponsored by CARB, Cosponsored by BIOL, MEDI, and ORGN


Morial Convention Center La Nouvelle, Blrm. A/B First Time Disclosure of Clinical Candidates Financially supported by Wyeth

A. Stamford, Organizer 1:30 18. Discovery of MK-7009: A novel macrocyclic HCV NS3/4A protease inhibitor. J. A. McCauley, M. T. Rudd, C. J. McIntyre, K. T. Nguyen, J. J. Romano, J. W. Butcher, M. K. Holloway, B-L. Wan, S. S. Carroll, J. M. DiMuzio, D. J. Graham, S. W. Ludmerer, S-S. Mao, M. Stahlhut, C. Fandozzi, N. Trainor, D. B. Olsen, J. P. Vacca, N. J. Liverton 2:10 19. Design, synthesis and biological profile of BMS-641988: A novel AR antagonist for the treatment of advanced prostate cancer. M. Salvati, A. Balog, R. Richard, S. Giese, S. H. Spergel, A. J. Nation, R. N. Misra, K. Leavitt, S-H. Kim, H-Y. Xiao, W. Shan, G. Vite, R. Attar, M. Gottardis, J. D. Dell, M. Jure-Kunkel, J. Geng, C. Rizzo, M. Obermeier, S. R. Krystek Jr., F. William, T. Spires Jr., C. Xu, A. Mathur, R. Jeyaseelan, D. Kukral, S. Powlin, X-Q. Chen 2:50 20. Discovery of APD791: A potent and selective 5HT2A inverse-agonist for the treatment of cardiovascular disorders. B. R. Teegarden, Y. Xiong, S. Strah-Pleynet, P. I. Dosa, H. Jayakumar, J. S. Choi, M. Decaire, M. Casper, L. Pham, K. Feichtinger, B. Ullman, K. Elwell, J. Adams, J. Ramirez, W. Thomsen, D. Yuskin, M. Morgan, A. Sadeque, W. Chen, P. Maffuid, H. Al-Shamma, G. Semple, R. R. Webb, D. Connolly 3:30 21. Discovery of a second generation FBPase inhibitor, MB07803, with reduced metabolism and improved oral bioavailability. Q. Dang, P. D. van Poelje, R. H. Lemus, F. Tian, H. Li, S. C. Potter, J. Fujitaki, D. Linemeyer, M. D. Erion 4:10 22. From virtual screening to clinic: Discovery of Cevoglitazar. T. R. Vedananda, M. Sabio, J. Stanton, H. Tomaselli, J. Fraser, G. Naderi, J. Tan, T. Stams, B. Boettcher, B. Fanelli, J. Gao, R. Deacon, S. Caplan, P. Chen, B. Dardik, R. Chatelain

SUNDAY EVENING Section A Morial Convention Center Hall A General Poster Session Financially supported by Eli Lilly and Company

J. R. McCarthy, Organizer 7:00–9:00 23. Design and synthesis of quinazoline derivatives as novel, potent multiacting HDAC and receptor tyrosine kinase inhibitors for the treatment of cancer. X. Cai, H-X. Zhai, C-J. Lai, R. Bao, C. Qian 24. Macrocyclic peptidyl biaryl-ether inhibitors provide evidence for the catalytic versatility of the 20S proteasome. M. G. Götz, M. Groll, M. Kaiser, E. Weyher, L. Moroder 25. Design and synthesis of polyketide-based affinity labels for acyl carrier protein domains. E. K. Leggans, R. A. Fecik 26. 2-Phenoxypyrimidine-5-carboxamide derivatives as a novel Prostaglandin D synthase inhibitor. K. Yamane, Y. Tanaka, K. Shigeno, T. Hosoya, S-I. Inoue, M. Kitade, T. Harada, H. Aoyagi, N. Miyoshi, T. Mutoh, M. Togawa, M. Kiniwa, Y. Yamasaki 27. Cobalt(III) amine complexes as a potential antibacterial drugs. C. Simmers, E. L. Chang, D. A. Knight

28. Acute osteomyelitis (OM): Nanometersized calcium phosphate (CP) particles as a carrier for bisphosphonate-ciprofloxacin (E41) antibiotic. J. C. McPherson III, R. Runner, P. Herczegh, T. B. Buxton 29. First small molecule inhibitors of RecA in living bacteria. A. V. Gromova, T. J. Wigle, S. F. Singleton 30. Methods for purifying and detoxifying sodium dodecyl sulfate-stabilized polyacrylate nanoparticles. J. C. Garay, D. Gergeres, A. Young, E. Turos 31. New classes of Gram-positive antibacterials: Inhibitors of MRSA and surrogates of the causative agents of anthrax and tuberculosis. M. S. Kabir, K. Engelbrecht, A. P. Monte, M. A. Rott, W. R. Schwan, J. M. Cook 32. Synthesis of novel triazole-bearing nitroimidazoles with improved antimicrobial activity against the protozoan pathogen Giardia. C. A. Valdez, J. Kalisiak, J. C. Tripp, B. Davids, F. Gillin, V. V. Fokin, K. B. Sharpless, L. Eckmann 33. Synthesis and biological activity of antagonists of AI-2-mediated bacterial quorum sensing in Vibrio harveyi. Y. Cheng, N. Ni, M. Li, H-T. Chou, C-D. Lu, P. C. Tai, B. Wang 34. Pyrogallol and its analogs can antagonize bacterial quorum sensing in Vibrio harveyi. N. Ni, G. Choudhary, M. Li, B. Wang 35. Synthesis of selectively functionalized steroid-2á, 3â-diol stereoisomer. S. K. Upadhyay, B. S. Jursic 36. 2-Alkenyl thieno[2,3-b]pyridine-5-carbonitriles: Potent and selective inhibitors of PKC␪. L. N. Tumey, D. H. Boschelli, D. Chaudhary, J. Lee 37. Synthesis and study of anti-inflammatory resolvins derived from docosahexaenoic acid. N. A. Petasis, J. Uddin, J. Winkler, R. Yang, C. N. Serhan 38. Synthesis and study of neuroprotectin D1, a potent antii-nflammatory lipid mediator. N. A. Petasis, J. Uddin, J. Winkler, R. Yang, N. G. Bazan, C. N. Serhan 39. Synthesis and study of polyisoprenyl phosphate analogs as regulators of acute inflammation. N. A. Petasis, K. C. Nagulapalli, R. Keledjian, B. D. Levy, C. N. Serhan 40. Preparation and lead optimization of potent neurokinin-2 receptor antagonists. M. F. Parker, R. Bertekap, J. J. Bronson, N. Burford, A. Cacace, J. E. Macor, K. Marmora, R. Westphal 41. Novel 5-HT2A/D2/Sigma receptor ligands: Psychiatric disorder treatment agents. Y-G. Kim, J. Heo, S-M. Dong, Y-H. Kim, B-S. Kwak 42. Synthesis and structure-activity relationship of a series of alpha-azole substituted phenyl alkyl amines as 5-HT2A/D2 receptor ligands: Potential psychosis treatment agents. Y-G. Kim, J. Heo, M-K. Ji, N-R. Cho, M-Y. Cha, B-S. Kwak 43. Structure activity relationship and pharmacological evaluation of carbamic acid benzoyl piperidine analog: YKP1358, novel atypical antipsychotics. Y-G. Kim, J. Heo, S-M. Dong, M-K. Ji, B-S. Kwak 44. Synthesis and SAR of pyridinyl-pyrazole derivatives as selective 5HT2A inverseagonists for platelet aggregation. P. I. Dosa, B. R. Teegarden, J. Davidson, M. Casper, J. Adams, J. Ramirez, W. Thomsen, D. Yuskin 45. Discovery and SAR of highly selective 5-HT2A receptor subtype inverse-agonists for inhibition of platelet aggregation. Y. Xiong, B. R. Teegarden, J. S. Choi, S. Strah-Pleynet, M. Decaire, H. Jayakumar, P. I. Dosa, M. Casper, L. Pham, K. Feichtinger, B. Ullman, J. Adams, J. Ramirez, W. Thomsen, D. Yuskin, M. Morgan, A. Sadeque, W. Chen, H. Al-Shamma, G. Semple, R. R. Webb, D. Connolly 46. Targeting serotonin transporter channel activity aids in the development of therapeutic drugs for clinical depression. U. M. Le, H. Iwamoto, H. Yuan, L. DeFelice, C. W. Lindsley

TECH–89

MEDI 47. Tetrahydroindolizinone NK1 antagonists: SAR at 7-position. J. Bao, H. Lu, G. J. Morriello, E. Carlson, R. Tschirret-Guth, G. G. Chicchi, M. Kurtz, K-L. Tsao, S. Zheng, X. Tong, S. Mills, R. DeVita 48. Tuning affinity on a tropane framework for dopamine D2/D3 receptor subtype ligands. N. M. Paul, C. Z. Floresca, M. Taylor, R. R. Luedtke, J. R. Deschamps, A. H. Newman 49. Design, synthesis and evaluation of novel azole nucleoside analogs for their activity against hantaviruses. S. C. Kumarapperuma, M. Jeselnik, D-H. Chung, Y. Sun, Q. Li, Y-K. Chu, W. B. Parker, C. B. Jonsson, J. B. Arterburn 50. Homology modeling and molecular dynamics simulation of Hepatitis B virus DNA polymerase: Validation using molecular docking. P. R. Daga, R. J. Doerksen 51. Design and synthesis of 3-deazaneplanocin A derivatives. C. Liu, S. W. Schneller 52. Discovery of novel oxadiazolyl phenyl derivatives as herpes helicase-primase inhibitors with potent activity against HSV and VZV. T. Kontani, J. Miyata-Sato, W. Hamaguchi, A. Kamikawa, T. Kawano, H. Suzuki, K. Sudo, M. Takeuchi, M. Ohta 53. Design and synthesis of a series of 7-substituted 2-(4-fluorobenzyl)-9-hydroxy-3,4dihydro-2H-pyrazino[1,2-c]pyrimidine1,6,8(7H)-trione inhibitors of HIV-1 Integrase and viral replication in cells. M. W. Embrey, H. M. Langford, T. Booth, P. Williams, J. Wai, J. Vacca, D. J. Hazuda, M. D. Miller, P. J. Felock, K. A. Stillmock, W. A. Schleif, L. J. Gabryelski, L. Jin, J. D. Ellis, T. A. Lyle 54. Tricyclic 10-hydroxy-7, 8-dihydropyrazinopyrrolopyrazine-1, 9-diones as potent, orally bioavailable HIV-1 integrase strand transfer inhibitors. C. M. Wiscount, L. O. Tran, M. W. Embrey, T. E. Fisher, V. Sherman, D. D. Staas, P. Williams, J. Wai, T. A. Lyle, J. Vacca, P. J. Felock, M. V. Witmer, L. Gabryelski, M. D. Miller, D. J. Hazuda, L. Ecto, W. Schleif, C. J. Kochansky, M. R. Anari 55. Discovery and synthesis of a potent long-acting inhibitor of HIV integrase. D. S. Perlow, M. Egbertson, J. Wai, L. S. Payne, W. Han, C. D. Martyr, V. E. Obligado, K. L. Hoffman, J. Vacca, D. J. Hazuda, P. J. Felock, K. A. Stillmock, W. A. Schleif, L. Gabryelski, M. R. Anari, J. Ellis, M. V. Witmer, M. Miller, N. N. Tsou, M. Biba, C. J. Welch, T. A. Lyle 56. Synthesis of 5,6-dihydropyran-2-ones as potential inhibitors of HIV-1 protease. J. L. Nye, L. Fabry-Asztalos 57. Synthesis and antiviral properties of 8-aza-7-deaza-Aristeromycin and Neplanocin. H. Wang, Y. Zhang, S. W. Schneller 58. Preparation and antiviral activity of N-1 / N-2 methyl-4-deazacarbaformycin. Y. Zhang, H. Wang, S. W. Schneller 59. Early screening for PXR- and CAR-mediated ADME-Tox liabilities: New fluorescence-based ligand binding and coregulator recruitment assays. W. J. Frazee, U. Singh, B. D. Marks, H. C. Eliason, D. K. Stafslien, J. K. Wolken, K. W. Vogel 60. Fluorescence detection of nucleic acids triggered by DNA-templated chemical reaction. K. Furukawa, H. Abe, W. Jin, K. Oki, M. Uda, S. Tsuneda, Y. Ito 61. New fluorescence-based assays for identification and characterization of selective PPAR{alpha}, {delta}({beta}), and {gamma} ligands. U. Singh, B. D. Marks, H. C. Eliason, D. K. Stafslien, J. M. Wilkinson, T. De Rosier, T. M. Hallis, K. W. Vogel, G. Miao, W. J. Frazee


90–TECH

TECHNICAL PROGRAM 62. Caco-2 cell based assay development for tight junction modulating peptides. K. M. Kitchens, S. Gopalakrishnan, J. Vere, R. Carrasco, M. Li, E. Oliver, M. Ginski, N. Pandey, B. Paterson, S. S. Alkan, A. P. Tamiz 63. Identification and hit to head optimization of a series of pkc theta inhibitors for t cell mediated diseases. M. Asselin 64. Indole-phenylacetic acid inhibitors of CRTH2. M. G. Johnson, J. Liu, A-R. Li, Y. Wang, W. Shen, S. Lively, Y. Su, B. van Lengerich, X. Wang, S. Lai, M. Brown, S. Lawliss, Y. Sun, Q. Xu, T. Collins, J. Danao, L. Seitz, M. Grillo, J. Wait, J. Medina 65. Synthesis and evaluation of a series of 7-substituted-8-azaquinazolinone CXCR3 antagonists. D. J. Gustin, P. Bergeron, J. Chan, X. Chen, J. Diegnan, D. Xiaohui, J. MIhalic, T. Carabeo, C. Tassie, L. Brian, G. Tonn, J. C. Medina 66. Imidazoacridinones: Potent inhibitors of FLT3 for the treatment of autoimmune diseases. K. W. Duncan, X. Fang, J. L. Christensen, M. Chau, K. J. Goodman, A. Locniskar, A. M. Ajami 67. Synthesis and evaluation of 2-arylthieno[2,3-b]pyridine-5-carbonitriles as PKCtheta inhibitors. B. Wu, D. H. Boschelli, J. Lee, X. Yang, D. Chaudhary 68. Synthesis and pharmacology of the novel HA-MTX conjugate (DK226) for osteoarthritis. H. Sato, A. Okamachi, T. Emura, A. Honma, T. Ishizawa, T. Kato, T. Matsuura, S. Sato, T. Tamura, Y. Higuchi, T. Watanabe, H. Kitamura, K. Asanuma, T. Yamazaki, M. Ikemi, H. Kitagawa, T. Morikawa, K. Maeda, K. Takahashi, K. Nohmi, N. Izutani, M. Kanda, R. Suzuki 69. Investigation of ketone warheads as alternatives to the nitrile for preparation of potent and selective cathepsin k inhibitors. M. J. Boyd, S. N. Crane, J. Robichaud, J. Scheigetz, C. Black, N. Chauret, Q. Wang, F. Massé, R. Oballa 70. Synthesis of bisphosphonates designed for selective attachment to proteins. J. Yewle, Y. Wei, D. Puleo, L. Bachas 71. Discovery of potent T-type calcium channel blocker. H. N. Seo, J. Y. Choi, Y. J. Choe, J. Kim, D. J. Choo, J. Y. Lee 72. Synthesis and SAR studies of a novel series of T-type calcium channel blockers. Y. J. Choe, H. N. Seo, J. Y. Choi, J. Kim, D. J. Choo, J. Y. Lee 73. Thiols oxidation and covalent binding of BSA by cyclolignanic quinones are enhanced by the magnesium cation. A. Kumar, A. E. Alegria, P. Sanchez-Cruz, C. García, F. A. Gonzalez, A. Orellano, B. Zayas, M. Gordaliza 74. Synthesis of 7-substituted benzyl-5[(3,4,5-trimethoxyphenyl)ethyl]-4-methyl7H-pyrrolo[2, 3-d]pyrimidin-2-amines as microtubule inhibitors. A. Gangjee, S. Kurup, C. D. Smith 75. Synthesis of analogs of trienomycin A, a potential inhibitor of Hsp90. G. Calvet, B. Blagg 76. Synthesis and biological activities of pyrrolo-pyridazine derivatives. T. Peng Cho, F. Jun, Z. Lei, B. Ping Yan 77. Probing the structure-activity relationships of tubulysins. R. Balasubramanian, B. Raghavan, R. A. Fecik 78. P2 site SAR development toward ABT263, an orally bioavailable inhibitor of Bcl-2 family proteins. X. Song, M. Bruncko, H. Ding, A. R. Kunzer, C. Lynch, C-M. Park, A. M. Petros, X. Wang, M. D. Wendt, P. M. Nimmer, M. L. Smith, S. K. Tahir, H. Zhang, C. Tse, A. J. Souers, S. Rosenberg, S. W. Elmore 79. Identification of pyrazolo[1,5-a]pyrimidine3-carboxylates as B-Raf kinase inhibitors: Part 1. A. Gopalsamy, G. M. Ciszewski, Y. Hu, F. Lee, L. Feldberg, E. Frommer, S. Kim, K. Collins, D. Wojciechowicz, R. Mallon 80. Phenylpyrazolo[1,5-a]pyrimidines as B-Raf Inhibitors: Optimization of phenyl group: Part 2. G. M. Ciszewski, A. Gopalsamy, J. I. Levin, K-H. Kim, Y. Hu, F. Lee, L. Feldberg, E. Frommer, S. Kim, K. Collins, D. Wojciechowicz, R. Mallon

81. Phenylpyrazolo[1,5-a]pyrimidines as B-Raf Inhibitors: Optimization of pyrazolopyrimidine ring substituents: Part 3. M. Shi, A. Gopalsamy, D. M. Berger, M. Dutia, Y. Hu, F. Lee, L. Feldberg, E. Frommer, S. Kim, K. Collins, D. Wojciechowicz, R. Mallon 82. Synthesis and SAR of 1,2,3,4-tetrahydropyrido[2,3-b]pyrazines as c-Met and ALK inhibitors. L. R. Weinberg, M. S. Albom, T. S. Angeles, B. D. Dorsey, J. Husten, K. L. Milkiewicz, S. Murthy, D. A. Pippin, R. Roemmele, T. L. Underiner 83. Targeted binding of chitosan-based nanoparticles with galactose ligand to HepG2 cells. T. Wang, Z. Feng, W. Yang, N. He 84. Antibody conjugates for cancer therapy. S. C. Sinha, Z. Huang 85. Studies of plant virus capsids as promising protein carriers for carbohydrate based anticancer vaccine development. A. Miermont, X. Lu, K. Wall, Q. Wang, X. Huang 86. Targeting RING finger domain of HDM2 for cancer therapy. Z. Hu, L. Liu 87. Total synthesis of new cytotoxic diterpenes. D. Rabouin, L. Dumas, E. Beaulieu, K. Daïri, S. Fortin, E. Fournier, G. G. Gonzalez, S. Tripathy, S. Bailly, G. Gagnon, S. Naranjo, B. St-Denis, N. Steenaart, J-F. Lavallee, G. Attardo, P. Beauparlant, X. Billot, L. Bélec 88. Trifluoromethyl substituted pyrrole 2-indolinone derivatives as tyrosine kinase inhibitors. T. Peng Cho, B. Ping Yan, L. Wei Li, Y. Shi Bo, Z. Lei, F. Jun 89. Using novobiocin analogs to probe the C-terminus of Hsp90. A. C. Donnelly, B. S. J. Blagg 90. 3-D-QSAR studies on benzothiadizapine hydroxamates as tumor necrosis factoralpha converting enzyme inhibitors. P. R. Murumkar, R. Giridhar, M. R. Yadav 91. A nonclassical NF- ␬B pathway in HUVEC cells revealed by small molecule probes. Y. Liu, G. Gong, Y. Xie, A. Rinderspacher, S-X. Deng, D. W. Landry, M. Wyler, N. Aulner, U. Toebben, D. H. Smith, L. Branden, C. Chung, S. Schürer, D. Vidovic´ 92. Discovery of novel small molecule activators of NFkB pathway. G. Gong, Y. Xie, Y. Liu, A. Rinderspacher, S-X. Deng, D. W. Landry, M. Wyler, N. Aulner, U. Toebben, D. H. Smith, L. Branden, C. Chung, S. Schürer, D. Vidovic´ 93. GGTase I as an anticancer drug target: Development of GGPP analog SAR. M. Maynor, R. F. Borch, R. A. Gibbs 94. Identification and optimization of N3, N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6diamines as a novel class of ACK1 inhibitors. X. Hao, D. Kopecky, X. Jiao, Y. Chen, J. Fu, J. Jaen, H. Wesche, J. Xiao, E. V. D. Horst, J. Liu, Z. Wang, M. Cardozo, J. Ma, S. Miao, L. Tang, F. Kayser 95. Signaling protein modulators as therapeutic agents based on tyrphostin dimer like structure. Z. Peng, A. Pal, D. S. Maxwell, W. Bornmann, S. Wang, N. Donato, M. Talpaz 96. Synthesis and antiproliferative evaluation of indeno[3,2-c]quinoline derivatives. C-C. Tzeng, C-H. Tseng, Y-L. Chen 97. Bispurine polyamine analogs of spermine: Synthesis and growth inhibitory effects on human prostate cancer cells. S. Phadtare, T. Banh, T. Chung, N. Kode 98. Design and synthesis of pyrazolone-based anaplastic lymphoma kinase (ALK) inhibitors. R. J. McHugh, R. Tripathy, T. Angeles, M. Albom, M. Cheng, B. Dorsey 99. Development of novel anticancer agent via cell-cycle arrest. S. H. Ha, H. N. Seo, Y. J. Choe, J. Y. Choi, J. Kim, D. J. Choo, J. Y. Lee 100. Discovery of 2-(3-pyridyl)-4-arylaminopyrimidines as a new series of apoptosis inducers using a cell- and caspase-based high throughput screening assay. N. Sirisoma, A. Pervin, B. Nguyen, C. Crogan-Grundy, J. Drewe, B. Tseng, S. Kasibhatla, S. X. Cai

101. Discovery of 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (EP128265, MPI-0441138) as a potent apoptosis inducer using anticancer screening apoptosis program (ASAP), a cell- and caspase-based platform. S. X. Cai, N. Sirisoma, A. Pervin, H. Zhang, S. Jiang, V. Baichwal, J. A. Willardsen, M. Anderson, C. M. Pleiman, B. Tseng, S. Kasibhatla, J. Drewe 102. Discovery of 4-aryl-4H-chromenes as a new series of apoptosis inducers using a cell- and caspase-based HTS assay: Modifications of the 2- and 3-positions. W. Kemnitzer, S. Jiang, Y. Wang, S. Kasibhatla, C. Crogan-Grundy, M. Bubenik, D. Labrecque, R. Denis, S. Lamothe, G. Attardo, H. Gourdeau, B. Tseng, J. Drewe, S. X. Cai 103. Discovery of N-aryl-9-oxo-9H-fluorene-1carboxamides as a new series of apoptosis inducers using a cell- and caspasebased HTS assay: SAR of the N-aryl group. N. Sirisoma, W. Kemnitzer, B. Nguyen, S. Kasibhatla, C. Crogan-Grundy, B. Tseng, J. Drewe, S. X. Cai 104. Virtual screening of natural compound library against N-Cadhein protein to identify new anticancer agents. L. Bai, Z. Hu 105. Lead optimization of 2-amino-3-benzyloxy-5-pyrazol-4-yl-pyridine for the discovery of clinical candidate PF-2341066 as potent and highly selective c-Met inhibitor. M. Tran-Dube, H. Shen, S. Yamazaki, H. Zou, J. Christensen, B. Mroczkowski, J. J. Cui 106. 1,2-Dialkynylimidazoles: Anticancer aza-enediynes. C. Laroche, M. L. McKee, S. M. Kerwin 107. Synthesis and evaluation of potential antitumor antimitotics that also reverse tumor resistance . A. Gangjee, C. D. Smith, N. Zaware 108. Synthesis of substituted pyrrolo [2, 3-d] pyrimidines with N7 chain length difference as novel antitumor antimitotic agents that also reverse tumor resistance. A. Gangjee, X. Zhang, C. D. Smith 109. Synthesis of benzo[4,5]thieno[2,3-d]pyrimidine as potential dual TS and DHFR inhibitor. A. Gangjee, X. Zhou, X. Zhang, R. L. Kisliuk 110. ABT-263, an orally bioavailable inhibitor of Bcl-2 family proteins. H. Ding, C-M. Park, M. Bruncko, C. Lynch, A. R. Kunzer, A. M. Petros, X. Song, X. Wang, M. D. Wendt, P. M. Nimmer, M. L. Smith, S. K. Tahir, H. Zhang, C. Tse, A. J. Souers, S. Rosenberg, S. W. Elmore 111. Carbonyl reductase inhibition as a means to increase anthracycline efficacy. C. K. Ewing, H. A. Charlier Jr. 112. Comparisons between parthenolide and a new agent against acute myelogenous leukemia. E. Chanchorn, Y. N. V. Gopal, T. R. Lee, M. W. Van Dyke 113. Design and synthesis of small-molecule inhibitors of the HIF-1 pathway. S. Reid, V. Belozerov, E. G. Van Meir, B. Wang 114. Discovery of a novel indenoheterocycle with potent apoptosis inducing properties through a systematic study of a multicomponent reaction involving indane-1,3dione, adehydes and various aminecontaining heterocyclic compounds. A. Kornienko, Y. S. C. Wong, L. A. Anderson, A. Ortega, M. Manpadi, K. M. Cotter, S. Van Slambrouck, W. Steelant, S. Rogelj, S. T. Shors, I. V. Magedov 115. Effect of o-phenoxy caspase inhibitors on apoptosis. B. K. Southerland, W. Grunwald Jr., K. Kulkarni-Datar, C. Hagler, D. M. Ketcha, T. L. Brown, D. R. Cool 116. Identification and synthesis of a metabolite of Symadex™, an inhibitor of FLT3 kinase. K. W. Duncan, K. J. Goodman, A. Locniskar, A. M. Ajami


MEDI 117. Multicomponent synthesis and anticancer evaluation of a library of novel indenopyridopyrimidines. A. Kornienko, L. A. Anderson, Y. S. C. Wong, A. Ortega, M. Manpadi, S. Brock, S. Van Slambrouck, W. Steelant, S. Rogelj, S. T. Shors, I. V. Magedov 118. New cathepsin D inhibitors: Synthesis and evaluation. R. M. McConnell, P. Velusamy, D. Driver, K. L. Sayyar, C. J. Trana, W. E. Godwin 119. Novel cannabinoids for the treatment of neuropathic pain obtained by Pd nanoparticle–catalyzed cyclization/cross-coupling tandem reaction. P. Diaz, J. Xu, F. Astruc Diaz, H-M. Pan, M. Naguib 120. Novel purine based “atypical retinoids” as antitumor agents. S. Phadtare, T. Chung, T. Banh, D. Murthy 121. Synthesis and structure-activity relationship of histone deacetylase (HDAC) inhibitors with triazole-linked cap group. P. C. Chen, V. Patil, W. R. Guerrant, P. Green, A. K. Oyelere 122. Cancer: Using tumor growth simulations to design treatment protocols. N. Rau, I. Carpen 123. Inhibition of platelet aggregation via P2Y12 receptor antagonists: Synthesis, SAR, chemical stability data, and biological results. P. S. Watson, S. A. Anderson, J. G. Douglass, J. L. Boyer, C. S. Crean, S. Mahanty, A. K. Morgan, R. S. Verhoeven, C. A. Samuelson 124. Efficient removal of ruthenium-based catalysts using SiliaBond姞 metal scavengers. G. Gingras, A. Michaud, L. Tremblay, S. Potvin, F. Béland 125. 3,3-Diarylacrylonitriles as tubulin polymerization inhibitors for cancer chemotherapy. Z. Fang, M. Cushman, E. Hamel, G. E. Agoston 126. Molecular basis of the selectivity of fluorinated neurotransmitters for adrenergic receptors. C. Pooput, E. Rosemond, S. Costanzi, F. Deflorian, K. L. Kirk, J. Wess 127. Synthesis and SAR of a partial mGluR5 antagonist lead: Unexpected modulation of pharmacology with slight structural modifications to a 5-(phenylethynyl)pyrimidine scaffold. S. Sharma, R. Williams, A. L. Rodriguez, C. M. Niswender, C. D. Weaver, P. J. Conn, C. W. Lindsley 128. Practical application of quantum mechanics to drug design: A tour of hydrogen bond donors and acceptors of perennial interest to the medicinal chemist. D. L. Cheney, D. Braden 129. Raising HDL levels by a small molecule LCAT activator. F. Kayser, J. Zhang, M. Labelle, P. Ford, S. Padmanabhan, M. Zhou 130. Synthesis and biological evaluation of analogs of Altohyrtin C (Spongistatin 2). C. E. Wagner, Q. Wang, C. H. Heathcock 131. Synthesis and biological evaluation of c-12’ substituted vinflunine derivatives. L. Xin Sheng, T. Peng Cho, Y. Xiang Da, L. Zhen Hong, L. He Jun, Y. Long, Y. Fang Long 132. Investigation of glyburide and its metabolites in urine and plasma of pregnant patients under treatment for gestational diabetes. S. Ravindran, O. Zharikova, T. Nanovskaya, R. Hill, D. Mattison, G. Hankins, M. Ahmed 133. Synthesis and structure-activity relationship of pyridyl sulfonamide 11-␤-HSD1 inhibitors. D. S. Yoon, S. C. Wu, J. Li, H. Wang, L. M. Simpkins, Z. Ruan, C. B. Cooper, K. Van Kirk, Z. Ma, R. Seethala, R. Golla, A. Nayeem, S. R. Krystek Jr., D. A. Gordon, J. A. Robl, L. G. Hamann 134. Multiple chemical ligation under thermal cycle. Y. Kondo, H. Abe, H. Jinmei, N. Abe, K. Aikawa, I. Matsumoto, Y. Ito 135. Identification of AT-1002 as a mucosal permeability modulator. M. Li, E. Oliver, J. Vere, K. M. Kitchens, M. Ginski, S. Gopalakrishnan, N. Pandey, S. S. Alkan, B. Paterson, A. P. Tamiz 136. Semi-automatic permeability vs. pH profile assay for pharmaceutical drugs using a diffusion cell and a PC-controlled UV spectrophotometer. A. Kraft, N. M. Howarth, J. C. Morris, C. Knox 137. Spectroscopic study of cyclodextrin inclusion complexes with A-007 prodrugs. S. Sagiraju, B. S. Jursic

138. Synthesis and biological evaluation of isophosphoramide mustard(IPM)prodrugs. S. Ghosh, D. Farquhar, Y. Ying 139. Preparation of polymeric spheres encapsulating photosensitizers for the treatment of leishmaniasis. S. Gannavaram, D. L. Cedeño, M. A. Jones 140. Preparation and evaluation of novel porphyrins incorporated in liposomes to treat leishmaniasis. S. Padhee, D. L. Cedeño, M. A. Jones

MONDAY MORNING Section A Morial Convention Center La Nouvelle, Blrm. A/B

3:30 154. Potent and selective 5-HT1B/D antagonists/inverse agonists with reduced hERG affinity for the treatment of depression. C. J. Helal 4:10 155. The design and development of triple uptake inhibitors as a novel treatment of depression. Z. Chen Undergraduate Research Poster Session: Medicinal Chemistry Sponsored by CHED, Cosponsored by MEDI and SOCED Young Academic Investigators Sponsored by BIOL, Cosponsored by MEDI and BTEC


Alfred Burger Award in Medicinal Chemistry: Symposium in Honor of Magid Abou-Gharbia


D. Rotella, Organizer

Sci-Mix

9:00 141. Ligands assisted protein structure (LAPS) of the endocannabinoid targets. A. Makriyannis 9:35 142. Molecular basis for irreversible inhibition of EGFR kinase and beta-lactamases. T. S. Mansour 10:10 143. Challenge of CNS drug discovery. P. R. Bernstein 10:45 144. Emerging therapeutic opportunities for the treatment of Alzheimer’s Disease. R. L. Magolda 11:20 Introduction of Awardee. 11:30 145. Award Address (Alfred Burger Award in Medicinal Chemistry, sponsored by GlaxoSmithKline). Discovery of innovative small molecule therapeutics. M. Abou-Gharbia

J. R. McCarthy, Organizer

MONDAY AFTERNOON Section A Morial Convention Center La Nouvelle, Blrm. A/B Fluorine in Drug Design Cosponsored by FLUO, Financially supported by Air Products

J. R. McCarthy, Organizer 1:30 146. Effect of fluorine on substrate and inhibitor activity toward GABA aminotransferase. R. B. Silverman 2:10 147. Importance of fluorine in the design of non-ATP competitive MEK inhibitors. H. Tecle 2:50 148. HTS to MK-0731: The role of fluorine in optimization of Kinesin Spindle Protein (KSP) inhibitors for the treatment of cancer. C. D. Cox, P. J. Coleman, M. E. Fraley, R. M. Garbaccio, M. J. Breslin, D. B. Whitman, J. D. Schreier, M. Torrent, R. Lobell, C. Buser, W. Tao, K. Rickert, H. Huber, N. E. Kohl, T. Prueksaritanont, C. Li, D. E. Slaughter, Y. Yan, L. C. Kuo, G. D. Hartman 3:30 149. Beneficial effects of fluorine substitution in inhibitors of cholesteryl ester transfer protein. R. B. Ruggeri 4:10 150. The use of fluorine in the design of new beta-secretase inhibitors. J. C. Barrow

Section B Morial Convention Center Rm. 209/210 Beyond SSRIs—New Treatments for Depression

J. J. Bronson and J. E. Macor, Organizers 1:30 151. Overview of newer approaches to treating depression. N. J. Lodge 2:10 152. 1H-Pyrazolo[3,4-g]hexahydroisoquinolines as selective glucocorticoid receptor antagonists with high functional activity. K. Williams 2:50 153. Derivatives of 7H-imidazo[1,2a]imidazoles are corticotropin releasing factor receptor type 1 (CRF1R) antagonists: Lead discovery ad optimization. D. Zuev

8:00–10:00 25, 28-29, 32, 36, 40, 47, 59-60, 65, 77-78, 83, 88, 92-95, 100-101, 110, 124, 127. See previous listings. 207, 211, 215, 219, 230, 235, 242, 257, 264, 266, 282, 316, 321. See subsequent listings.

9:50 165. Discovery and optimization of a series of CCR4 antagonists from Hit to CD. A. Mete, G. Andrews, A. Baxter, D. Cheshire, L. Ewart, S. Harper, K. Hickling, N. Kindon, D. McGinnity, C. Murray, M. Stocks, N. Tomkinson, K. Wregget, S. Young 10:30 166. Binding site expansion and induced fit docking for GPCR ligand binding mode prediction: Application to the chemokine family of receptors. A. Tebben, S. R. Kimura, S. Krystek, G. V. De Lucca, Q. Zhao, J. Pang, M. E. Cvijic, J. Chen, P. H. Carter 11:10 167. Discovery of the highly potent, selective and orally bioavailable CCR9 antagonist CCX282-B. S. B. Ungashe, Z. Wei, W. Rubas, N. L. Lai, L. Ertl, T. Baumgart, H. Wang, Z. Miao, S-Y. Hor, B. Premack, J. Moore, E. Sullivan, A. Pennell, S. Keshav, M. Sanders, M. Howard, J. J. K. Wright, P. Bekker, T. J. Schall Frontiers in Chemical Biology Sponsored by BIOL, Cosponsored by MEDI and BTEC

TUESDAY AFTERNOON Section A Morial Convention Center La Nouvelle, Blrm. A/B

TUESDAY MORNING Section A Morial Convention Center Rm. 244/245 Roles of ABC Transporters in Drug Disposition and Resistance p-Glycoprotein: State of the Art and Med Chem Strategies Financially supported by Pfizer

C. A. Hrycyna and M. L. Lamb, Organizers 9:00 Introductory Remarks. 9:15 156. Defining structure-activity relationships for substrates of drug efflux transporters. T. J. Raub 9:45 157. Mechanism of action of the multidrug resistance-linked P-glycoprotein (ABCB1). S. V. Ambudkar, I-W. Kim, L. L. Cuenca, K. Nandigama, Z. E. Sauna 10:15 158. Gallium radiopharmaceuticals for imaging MDR1-Pgp transport function with PET: Effects of chelate stereochemistry on tracer fate in vivo. M. A. Green, C. J. Mathias, Y-M. Hsiao 10:45 Intermission. 11:00 159. Signals that modulate p-glycoprotein at the blood-brain barrier: Potential therapeutic targets. D. S. Miller, A. M. Hartz, B. Bauer 11:30 160. Bivalent inhibitors of P-glycoprotein. J. A. Chmielewski, M. Pires, D. Emmert, C. A. Hrycyna 12:00 161. Pharmacoinformatic approaches to Target P-glycoprotein: From inhibitor design to substrate prediction. G. F. Ecker, R. Schwaha, M. Demel, P. Chiba 12:30 162. Chemical strategies to alter P-glycoprotein efflux of drug molecules. C. D. Cox

Section B Morial Convention Center La Nouvelle, Blrm. A/B Latest Developments in Chemokine Drug Discovery

Lysine-Specific Demethylase 1 (LSD 1) as a Target for Antitumor Therapy

P. M. Woster, Organizer 2:15 168. Introductory Remarks. P. M. Woster 2:20 169. Pharmacologic manipulation of the components of aberrant gene silencing in cancer. S. B. Baylin 2:55 170. Histone demethylases: From enzyme discovery to biological impact. J. R. Whetstine 3:30 171. Crystal structure and mechanism of human lysine-specific demethylase 1. P. Stavropoulos, G. Blobel, A. Hoelz 4:05 172. Re-expression of aberrantly silenced genes resulting from inhibition of lysine-specific demethylase 1 (LSD1) by polyamine analogs in human colon cancer cells. Y. Huang, E. Greene, T. M. Stewart, A. C. Goodwin, S. B. Baylin, P. M. Woster, R. A. Casero Jr. 4:40 173. Synthesis and evaluation of trans-2- arylcyclopropylamine-based inhibiltors of lysine-specific demethylase 1. D. G. McCafferty

Section B Morial Convention Center Rm. 244/245 General Oral Session Financially supported by Advanced Chemistry Development, Inc., (ACD/Labs)

J. R. McCarthy, Organizer 2:15 174. Discovery of MK-4965: A potent, orally bioavailable HIV-1 nonnucleoside reverse transcriptase inhibitor (NNRTI) with improved potency against key mutant viruses I. T. J. Tucker, S. Saggar, J. T. Sisko, R. M. Tynebor, P. J. Felock, J. A. Flynn, M-T. Lai, Y. Liang, M. Liu, G. McGaughey, M. D. Miller, G. Moyer, V. Munshi, R. A. Poehnelt, S. Prasad, R. I. Sanchez, M. Torrent, J. P. Vacca, T. M. Williams, B-L. Wan, Y. Yan

P. H. Carter, Organizer 8:30 163. CCR2/CCR5 Antagonists: A new approach for the treatment of autoimmune diseases. W. Miltz, P. Loetscher, P. Janser, R. Hersperger, P. Hiestand, J. Meingassner 9:10 164. Molecular basis for efficacy of ligands and receptors: Balancing between agonism and inverse agonism/antagonism. T. W. Schwartz


TECH–91

TECHNICAL PROGRAM

MEDI 2:35 175. Discovery of MK-4965: A potent, orally bioavailable HIV-1 nonnucleoside reverse transcriptase inhibitor (NNRTI) with improved potency against key mutant viruses II. T. J. Tucker, S. Saggar, J. T. Sisko, R. M. Tynebor, P. J. Felock, J. A. Flynn, M-T. Lai, Y. Liang, M. Liu, G. McGaughey, M. D. Miller, G. Moyer, V. Munshi, R. A. Poehnelt, S. Prasad, R. Sanchez, M. Torrent, J. P. Vacca, T. M. Williams, B-L. Wan, Y. Yan 2:50 176. Design, synthesis, and biological evaluation of potent c-met inhibitors. N. D. D’Angelo, S. Bellon, S. K. Booker, T. L. Burgess, C. Dominguez, I. Dussault, I. Fellows, R. W. Hungate, M. Lee, L. Liu, E. Rainbeau, P. J. Reider, A. Siegmund, A. Tasker, N. Xi, S. Xu, T-S. Kim 3:10 177. Structure based drug design for the discovery of clinical candidate PF-2341066 as potent and highly selective c-Met inhibitor. J. J. Cui, I. Botrous, H. Shen, M. Tran-Dube, M. Nambu, P. P. Kung, L. Funk, L. Jia, J. Meng, M. Pairish, M. McTigue, N. Grodsky, K. Ryan, G. Alton, S. Yamazaki, H. Zou, J. Christensen, B. Mroczkowski 3:30 178. Design, synthesis and optimization of several novel NNRTI series. L. H. Jones 3:50 179. Design, synthesis, and evaluation of fused heterocyclic analogs as adenosine A2A receptor antagonists. U. Shah, C. D. Boyle, S. Chackalamannil, W. J. Greenlee, C. Lankin, B. Neustadt, M. Cohen-Williams, A. Fawzi, G. Higgins, J. Lachowicz, K. Ng, G. Varty, H. Zhang 4:10 180. Small molecule antagonists of the Histamine receptor type3 (H3) as a novel treatment for cognitive dysfunction. J-I. Kim, M. Abou-Gharbia, S. Aschmies, N. Brandon, T. Comery, M. Day, J. Gross, W. D. Hirst, C. Kelley, K. Kubek, R. L. Magolda, M. Pangalos, W. R. Solvibile, G. J. Tawa, A. Robichaud 4:30 181. Indoleazepines as a new class of nonsteroidal agonists of the farnesoid X receptor: Identification of WAY-362450 (FXR-450) as a clinical candidate for the treatment of dyslipidemia. P. E. Mahaney, D. C. Harnish, M. A. Abou-Gharbia, E. Bischoff, L. Borges-Marcucci, M. J. Evans, B. T. Flatt, E. Gantan, S. J. Gardell, X-H. Gu, K. Lai, R. L. Magolda, R. Martin, R. Mohan, P. Ordentlich, I. Schulman, R. J. Unwalla, G. P. Vlasuk, S. Wang, T-L. Wang, S. Westin, J. E. Wrobel, W. Xu, G. Yan, S. Zhang 4:50 182. Substituted-pyrrole 2-amino-3,5dihydro-4H-imidazol-4-ones as highly potent and selective BACE1 inhibitors. W. F. Fobare, M. Malamas, A. Robichaud, W. R. Solvibile, P. Zhou, D. A. Quagliato, J. Erdei, I. Gunawan, Y. Yan, P. M. Andrae, J. Turner, E. Wagner, Y. Hu, K. Y. Fan, S. Aschmies, R. Chopra, J. Bard 5:10 183. Synthesis and transport studies on serine side-chain-linked peptidomimetic prodrugs of cyclic cidofovir. L. W. Peterson, B. A. Kashemirov, M. Sala-Rabanal, J-S. Kim, S. Mitchell, P. Kijek, J. Hilfinger, C. E. McKenna Biological Macromolecules Sponsored by BIOL, Cosponsored by MEDI and BTEC

WEDNESDAY MORNING Section A Morial Convention Center La Nouvelle, Blrm. A/B The Hit to Lead Process: Identifying the Most Promising Chemotypes in the Fewest Possible Steps Financially supported by Sigma-Aldrich Corporation

S. R. McAlpine and S. W. Gerritz, Organizers 9:00 184. Multiple parallel approaches to steroid hormone receptor lead identification. D. G. Jones, P. J. Brown, M. Clackers, D. Gray, M. Gomez, W. J. Hoekstra, I. W. Kaldor, L. Kallander, M. H. Lambert, H. Li, X. Liang, K. Madauss, A. B. Miller, R. A. Noe, R. Sasse, E. L. Stewart, L. W. Stuart, S. K. Thompson, P. Turnbull, M. Villeneuve, D. Washburn, S. Williams, T. M. Willson 9:40 185. A novel inhibitor of thyroid hormone receptor function. R. K. Guy 10:20 186. Discovery and optimization of acyl guanidines as novel BACE-1 inhibitors. S. W. Gerritz, S. Shi, W. Zhai, S. Zhu, L. A. Thompson, J. H. Toyn, J. E. Meredith, A. C. Good, J. K. Muckelbauer, D. M. Camac, D. S. Dodd, L. S. Cook, R. Padmanabha, C. F. Albright, M. J. Sofia, M. A. Poss, J. E. Macor 11:00 187. Discovery and development of allosteric modulators of Class A and Class C GPCRs. C. W. Lindsley 11:40 188. Hsp90 inhibitors: The journey from a designed lead to a clinical candidate. G. Chiosis

Section B Morial Convention Center Rm. 244/245 Natural Products: Contemporary Drug Discovery and Signal Transduction Modulators

Morial Convention Center Rm. 244/245 Optimizing Nature’s Privileged Structures: Biosynthesis and Semisynthetic Advances

G. T. Carter and J. S. Skotnicki, Organizers 1:30 199. Alkaloid biosynthesis in periwinkle. S. E. O’Connor 2:00 200. Modified microtubule stabilizing agents: Candidates for the treatment of neurodegenerative tauopathies. D. Huryn, C. Ballatore, K. Brunden, E. Hyde, R. F. Deiches, V. M. Lee, J. Trojanowski, J. Potuzak, A. B. Smith III 2:30 201. Production of novel acidic lipopeptide antibiotics by genetic engineering in Streptomyces roseosporus. R. H. Baltz, K. Nguyen, M-F. Coëffet-Le Gal, V. Miao, P. Brian 3:00 202. Generation and analysis of new phoslactomycins and prodiginines. K. Reynolds 3:30 203. Core-modified mannopeptimycins. R. G. Dushin 4:00 204. Synthetic biology approaches to natural product lead optimization. M-Q. Zhang Enzymes and Pathways Sponsored by BIOL, Cosponsored by MEDI and BTEC

WEDNESDAY EVENING

9:00 189. Natural products and natural product models in drug discovery. S. B. Singh 9:30 190. Synthesis and biological evaluation of marine natural products that modulate PI3kinase signaling. R. J. Andersen 10:00 191. Novel natural product immunophilin ligands are potent leads for the treatment of neurodegenerative diseases and provide insights into mechanisms of neuroprotection. E. I. Graziani 10:30 192. Genomics of secondary metabolite biosynthesis provide a new efficient route to novel natural products. J. B. McAlpine 11:00 193. Combining bioprospecting, biodiversity conservation, and economic development: A new paradigm for natural products based drug discovery. D. G. I. Kingston 11:30 194. Natural products as research probes: Impact on pharmacology, physiology and drug development. J. W. Daly

Section A


92–TECH

Section B

F. E. Koehn and T. Prisinzano, Organizers

New Techniques in Chemical Biology Sponsored by BIOL, Cosponsored by ANYL, MEDI, and BTEC


2:30 196. Highly soluble prodrugs of the oxazolidinone antibacterial agents eperezolid and linezolid (Zyvox™). S. J. Brickner, M. R. Barbachyn, R. C. Gadwood, D. K. Hutchinson, P. R. Manninen, D. A. Allwine, D. S. Toops, B. V. Kamdar, S. A. Garmon, K. C. Grega, H. A. Little 3:00 197. A computational approach to modeling solubility that includes crystal packing, ionization, and intrinsic solubility for use in iterative design. S. R. Johnson, X-Q. Chen, D. Murphy, O. Gudmundsson 3:30 198. Readily activated and highly soluble pyrazoloquinazoline phosphate derivatives with potent and durable antitumor activity. K. M. Foote

Morial Convention Center La Nouvelle, Blrm. A/B Solubility-Driven SAR

M. Walker, Organizer 1:30 Introductory Remarks. 2:00 195. Overview of solubility in drug discovery: Impact, measurement, and structure design. E. Kerns, L. Di

Morial Convention Center La Louisiane Blrm. C General Poster Session Financially supported by Nature Reviews Drug Discovery

J. R. McCarthy, Organizer 7:00–9:00 205. Discovery of 2-aminobenzoxazole carboxamides as 5-HT3 receptor antagonists. B. I. Bliss, K. L. Christensen, M. L. Cohen, R. J. DeOrazio, S. Dobritsa, D. J. Fairfax, K. Fitzpatrick, P. R. Guzzo, J. P. Harding, C. Hassler, M. Isherwood, J. P. Lindsay, J-H. Maeng, D. D. Manning, L. Masih, V. V. Mozhaev, Z. Yang, J. V. Zaremba 206. Thermo- and pH-responsive hydrogelcoated gold nanoparticles prepared from rationally designed surface-confined initiators. H. H. Park, T. R. Lee 207. Enhancing the kinetic profile and bioavailability of ophthalmic drugs. P. D. Youso, R. E. Utecht 208. Introduction of a new strategy to drug discovery: Systems-based drug discovery. Z. Hu 209. Mechanistic study of the thiol mediated biotransformation of organic nitrates. V. Sinha, R. E. P. Chandrasena, S-W. Hong, G. R. J. Thatcher 210. Synthesis of new carbon-11 labeled carboxamides as PET radioligands for imaging of dopamine D3 receptor. M. Gao, M. Wang, Q-H. Zheng

211. Synthesis and evaluation of a series of new 7-methyl-2-(pyridinyl)pyridin-3-yl)-7azabicyclo[2.2.1]heptane derivatives as potential radioligands for imaging of the nicotinic acetylcholine receptors (nAChRs) by positron-emission tomography. Y. Gao, A. G. Horti, H. T. Ravert, D. P. Holt, M. Alexander, A. Kumar, H. Kuwabara, D. F. Wong, R. F. Dannals 212. Synthesis of new carbon-11 labeled naphthalene-sulfonamides as potential PET agents for imaging of human CCR8. M. Wang, B. Cooley, M. Gao, Q-H. Zheng 213. Synthesis of [11C]DAA1106, a PET radioligand for peripheral benzodiazepine receptors. M. Wang, M. Gao, B. E. Glick-Wilson, B. H. Mock, G. D. Hutchins, Q-H. Zheng 214. Semisynthetic modifications and SAR studies of manzamine A analogs. M. A. Ibrahim, A. G. Shilabin, M. T. Hamann 215. Lead optimization of next generation quinoline methanols. E. E. Milner, J. E. Cobar 216. Saturation transfer difference NMR studies on the binding of the antitubercular agent pyrazinamide to Mycobacterium tuberculosis fatty acid synthase I. H. Sayahi, S. Purramadappa, S. C. Ngo, O. Zimhony, W. R. Jacobs, A. Shekhtman, J. Welch 217. Design and synthesis of aza-peptide epoxide and Michael acceptor inhibitors targeting the legumain of the flatworm pathogen, Schistosoma mansoni. A. Ovat, F. Muindi, C. Fagan, M. Brouner, T. H. Juhar, J. H. McKerrow, C. Caffrey, J. C. Powers 218. Design and synthesis of potent peptidyl vinyl sulfones and allyl sulfones for inhibition of parasitic cysteine proteases. T. H. Juhar, E. Hansell, C. Caffrey, J. H. McKerrow, J. C. Powers 219. Design and synthesis of novel and potent broad spectrum caspase inhibitors. T. H. Juhar, J. C. Powers 220. Design of bioavailable InhA inhibitors with activity against drug-resistant strains of Mycobacterium tuberculosis. A. Khanna, C. AmEnde, N. Liu, S. Knudson, R. A. Slayden, P. J. Tonge 221. Synthesis and biological evaluation of novel sulfonyl-naphthalene-1,4-diols as FabH inhibitors. M. M. Alhamadsheh, N. C. Waters, K. Reynolds 222. Synthesis and biological properties of 6⬘-iso analogs of neplanocin A and 5⬘-homoneplanocin A. W. Ye, S. W. Schneller 223. Withdrawn. 224. Synthesis of pyrimido[4,5-b]indoles as selective inhibitors of Toxoplasma gondii dihydrofolate reductase. A. Gangjee, L. Wang, R. L. Kisliuk 225. Synthesis of the analog of carbocyclic sinefungin. G. Zhao, X. Yin, S. W. Schneller 226. Synthesis toward novel 1,3-azaborine heterocycles as potential dual-mode HIV-1 protease inhibitors. A. C. Blackmore, T. S. Heer, L. Fabry-Asztalos 227. Tetrahydro-beta carbolines as a novel antituberculosis agent. T. A. Choi, B. Wan, Y. Wang, Y. Chen, A. P. Kozikowski, S. G. Franzblau 228. To a synthesis of substituted 4-quinolones. O. P. Krasnykh, A. A. Boteva, V. I. Filjakova, N. S. Boltachova, V. N. Charushin, Y. Wang, B. Wan, S. G. Franzblau 229. Structure-based virtual screening to discover small molecular inhibitors of ubiquitin-activating enzyme (E1). Z. Hu, L. Liu 230. Discovery of a novel class of CB2 agonists. R. Zindell, D. Riether, L. Wu, A. Berry, T. Bosanac, M. Gemkow, A. F. Kahrs, A. Ebneth, D. Thome, K. O’Shea, R. Dinallo, E. Raymond, D-T. Shih, D. Thomson


MEDI 231. Study on inhaling asarone for an interference function of the cell medium of the chronic obstructive pulmonary disease. L. Zhu 232. Development of a Src/VEGFr2 inhibitor for the potential treatment of age-related macular degeneration. M. S. S. Palanki, J. Cao, Z. Chen, C. P. Chow, L. Dellamary, J. Doukas, J. Hood, D. Lohse, S. Mahesh, C. C. Mak, M. Martin, A. McPherson, G. Noronha, V. P. Pathak, J. Renick, R. Soll, B. Zeng 233. Strategies for the synthesis of the phase II clinical candidate TG100801. A. McPherson, G. E. Barker, J. Cao, C. P. Chow, R. DeGuzman, L. Dellamary, D. E. McClure, C. C. Mak, G. Noronha, M. S. S. Palanki, V. P. Pathak, J. Renick, R. Soll, B. Zeng 234. TG100801: A prodrug for the potential treatment of age-related macular degeneration (AMD). C. C. Mak, J. Brown, J. Cao, Z. Chen, C. P. Chow, L. Dellamary, J. Doukas, J. Hood, A. Kousba, D. Lohse, S. Mahesh, M. Martin, A. McPherson, G. Noronha, T. Olafson, M. S. S. Palanki, V. P. Pathak, A. Racanelli-Layton, J. Renick, R. Soll, B. Zeng 235. Discovery of TG100572, a dual VEGFr2/ Src inhibitor, for the potential treatment of AMD. J. Cao, C. P. Chow, L. Dellamary, J. Doukas, R. Fine, J. Hood, X. Kang, B. Klebansky, D. Lohse, C. C. Mak, M. Martin, A. McPherson, G. Noronha, M. S. S. Palanki, V. P. Pathak, J. Renick, R. Soll, B. Zeng 236. A novel lead-like library aims kinase target. Q. J. Yu, F. N. Wei 237. Screening of libraries for inhibitors or activators of the enzyme 5-aminolevulinate synthase. R. M. Cross, R. Manetsch, G. Ferreira, G. A. Hunter 238. Repurposing compound collections for new drug discovery paradigms. M. W. Wagaman, A. Macherone, A. E. Blize 239. Structure-guided design of pan-LXR antagonists. F. Kayser, A. Chai, P. Coward, M. Harrison, J. Jaen, X. Jiao, S. Jones, D. Kopecky, D. Piper, A. Shiau 240. Estrogen related receptor ␣ (ERR␣) agonists: HTS hit evaluation. K. Park, A. Gopalsamy, J. C. McKew, Y. Hu, F. Moy, J. LaRocque, R. Gimeno, D. Li, C. Johnson, Y-L. Zhang, Z. Gjoka, V. Suri 241. Identification of small molecular inhibitors of lymphocyte specific protein tyrosine phosphatase. Y. Xie, Y. Liu, G. Gong, A. Rinderspacher, S-X. Deng, D. W. Landry, D. H. Smith, U. Toebben, E. Tzilianos, L. Branden, C. Chung, S. Schürer, D. Vidovic´ 242. Discovery of oxazolo[4,5-b]pyridines and related heterocyclic analogs as novel SIRT1 activators. J. E. Bemis, D. P. Carney, J. S. Disch, A. Iffland, L. Jin, M. R. Jirousek, S. Lavu, A. V. Lynch, J. C. Milne, P. Y. Ng, J. J. Nunes, J. J. Smith, C. B. Vu, R. L. Xie, R. B. Perni 243. Differentiation of binding and geometric decoys generated from molecular docking using cheminformatics approaches. J-H. Hsieh, X. S. Wang, S. Zhang, A. Golbraikh, A. Tropsha 244. Modeling blood-brain barrier permeability by passive diffusion. K. Lanevskij, P. Japertas, R. Didziapetris, A. Petrauskas 245. Modeling permeability across caco-2 monolayers. K. Lanevskij, P. Japertas, R. Didziapetris 246. Probabilistic prediction of the human CYP3A4 metabolism sites in a molecule. J. Dapkunas, A. Sazonovas, P. Japertas 247. Similarity based correction for the predictions of compounds physicochemical properties. P. Japertas, R. Didziapetris, A. Sazonovas, A. Petrauskas 248. Modeling of HIV integrase-DNA active site with two magnesium ions. C. Liao, M. C. Nicklaus 249. Synthesis and biological evaluation of 3-aryl-3-arylmethoxytropane derivatives at monoamine transporters. M. L. Trudell, S. Izenwasser, H. Kaur 250. Oligochitosan-TPP nanoparticles: Preparation and optimization. W. Yang, T. Wang, Z. Feng, N. He 251. Polyacrylate nanoparticles for potential delivery of chloroquine resistance reversal agents. R. Cormier, J. Gause, E. Turos, T. Mutka, D. E. Kyle

252. Structure of Karlotoxin-2, a toxin causing massive fish kills worldwide. J. Peng, A. Place, W. Yoshida, C. Anklin, M. T. Hamann 253. Subtype-selective allosteric modulation of the M1 and M4 muscarinic receptors. T. M. Bridges, C. K. Jones, A. Brady, J. E. Marlo, A. L. Rodriguez, C. M. Niswender, D. Sheffler, P. Kennedy, R. Williams, D. Orton, K. Kim, L. Williams, M. Mulder, M. Lewis, J. K. Shirey, A. A. Davis, J. J. Lah, A. I. Levey, C. D. Weaver, P. J. Conn, C. W. Lindsley 254. Synthesis of subtype selective ligands and molecular modeling for alpha-5 containing GABAA/Bz receptors to treat memory deficits. T. Clayton 255. N-Alkyl substituted-pyrrole 2-amino-3,5dihydro-4H-imidazol-4-ones as potent, and selective BACE1 inhibitors. J. Erdei, I. Gunawan, D. A. Quagliato, Y. Yan, W. F. Fobare, W. R. Solvibile, K. Fan, A. Robichaud, J. Turner, E. Wagner, Y. Hu, S. Aschmies, R. Chopra, J. Bard, M. Malamas 256. 2-Substituted-pyrrole 2-amino-3,5-dihydro-4H-imidazol-4-ones: Highly potent, and selective BACE1 inhibitors. W. R. Solvibile, W. F. Fobare, M. Abou-Gharbia, P. M. Andrae, S. Aschmies, R. Chopra, K. Y. Fan, Y. Hu, R. L. Magolda, M. Pangalos, D. A. Quagliato, J. Turner, E. Wagner, Y. Yan, P. Zhou, J. Bard, M. Malamas, A. Robichaud 257. Rigid analogs of 4,4-diaryl-iminohydantoins as potent inhibitors of Beta-secretase. D. A. Quagliato, P. Andrae, M. Chlenov, K. Fan, L. Di, A. Robichaud, J. Turner, E. Wagner, J. Bard, M. Malamas 258. Syntheses and biological properties of carbocyclic substituted aminohydantoin derivatives. Y. Yan, P. Zhou, M. Malamas, S. Aschmies, J. Bard, T. Comery, Y. Hu, A. Oganesian, J. Turner, E. Wagner, P. Reinhart, A. Robichaud 259. Substituted-pyrrole 2-amino-3,5-dihyro4H-imidazol-4-ones as highly potent BACE1 inhibitors: Optimization of the S3 pocket. P. Zhou, Y. Yan, W. F. Fobare, M. Malamas, W. R. Solvibile, R. Chopra, K. Y. Fan, Y. Hu, J. Turner, E. Wagner, R. L. Magolda, M. A. Abougharbia, P. Reinhart, M. Pangalos, J. Bard, A. Robichaud 260. De novo design and SAR of cyclic hydroxyethylamine-based BACE1 inhibitors. H. Rueeger, C. McCarthy, J-M. Rondeau, H. Moebitz, U. Neumann, M. Chiesi, A-L. Jaton, A. Enz 261. Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors. K. P. Moore 262. Aggregation and clearance of mutant huntingtin protein. A. Rinderspacher, Y. Liu, S-X. Deng, G. Gong, Y. Xie, M. L. Cremona, A. Yamamoto, C. Chung, N. Aulner, U. Többen, D. Vidovic´, S. Schürer, D. H. Smith, L. Branden, J. E. Rothman, D. W. Landry 263. Aryl amides and ureas: Novel leads for notch sparing gamma-secretase modulators. D. Lu, H-X. Wei, J. Zhang, Y-L. Gu, P. Osenkowski, W. Ye, C. E. Augelli-Szafran 264. b-Amino alcohols as notch sparing g-secretase modulators. H-X. Wei, D. Lu, V. Sun, J. Zhang, Y. Gu, P. Osenkowski, W. Ye, C. E. Augelli-Szafran 265. Synthesis and structure-activity relationship of 2-substituted pyridopyrimidines as a possible therapeutic application for Alzheimer’s disease. J. Zhang, D. Lu, H-X. Wei, Y-L. Gu, P. Osenkowski, W-J. Ye, C. E. Augelli-Szafran


266. Design, synthesis, and biological evaluation of both conformationally flexible and rigid analogs of 7-((2-(4-phenylpiperazin-1yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalenols as dopamine D2/D3 receptor ligands: Development of a four point pharmacophore model for interaction with the D2 and D3 receptor subtypes. D. A. Brown, P. Kharkar, I. Parrington, M. Reith, A. Dutta 267. Design of mixed–ligand Zinc–(metal chelator) coordination species toward the treatment of neurodegenerative diseases and in vitro studies by single crystal X–ray diffraction, DOSY NMR and UV–vis spec. Z. Ma, S. Han, R. Hopson, B. Moulton 268. Discovery of a novel series of biphenyl benzoic acid derivatives as potent, selective and orally bioavailable human beta 3 adrenergic receptor agonists with a long duration. M. Imanishi, Y. Tomishima, S. Itou, H. Hamashima, Y. Nakajima, M. Sakurai, K. Washizuka, S. Matsui, E. Imamura, K. Ueshima, T. Yamamoto, K. Hamada, F. Takamura, K. Hattori 269. Discovery of a novel hyaluronic acidMTX conjugate (DK226) for Osteoarthritis. A. Honma, H. Sato, A. Okamachi, T. Emura, T. Ishizawa, T. Kato, T. Matsuura, S. Sato, T. Tamura, Y. Higuchi, T. Watanabe, H. Kitamura, K. Asanuma, T. Yamazaki, M. Ikemi, H. Kitagawa, T. Morikawa, K. Maeda, K. Takahashi, K. Nohmi, N. Izutani, M. Kanda, R. Suzuki 270. Diaryl sulfone sulfonamides as Secreted Frizzled-Related Protein-1 (SFRP-1) inhibitors: SAR and optimization of substituted piperidine derivatives. J. C. Kern, W. J. Moore, T. J. Commons, R. P. Woodworth, M. A. Wilson, G. S. Welmaker, E. J. Trybulski, K. Pitts, G. Krishnamurthy, B. Stauffer, R. Bhat, P. V. N. Bodine 271. Design, synthesis and biological evaluation of Benzamide Derivatives as tissueselective androgen receptor modulators. B. A. Hanney 272. Development of potent NR2B subtype selective NMDA receptor antagonists. M. J. Kelly III 273. Synthesis of ring fluorinated capsaicin analogs and their interactions with the vallinoid receptor. C. Pooput, P. Pellett, J. Heredia-Moya, K. L. Kirk 274. Comparison of calculated aqueous solubility and permeability to experimental data for a fragment based screening set. A. Macherone, M. W. Wagaman 275. Modification of scutellarin for improved solubility by PEGylation. J. Lu, G. Luo, C. Cheng, Y. Wang 276. Investigating the manipulation of Jak/Stat protein-protein interactions in cytokine signaling through multivalent small molecule recognition agents. S. Fletcher, P. T. Gunning 277. Novel ␣-helix mimetics with increased water solubility. C. G. Cummings, A. D. Hamilton 278. Design, synthesis and in vivo efficacy of mGluR5 positive allosteric modulators derived from a series of functionalized 4-(phenylethynyl)benzamides. R. Williams 279. Synthesis and biological evaluations of peptide nucleic acids as siRNA mimics. B. B. Metaferia, Y. Song, J. Khan 280. Autophosphonylating peptides as the scavengers of nerve gas agents. Z. Zhu, S-X. Deng, J. Macdonald, M. Vinogradov, D. W. Landry 281. Synthesis and biological activity of meperidine analogs as selective serotonin reuptake inhibitors. X. Gu, S. Izenwasser, M. L. Trudell 282. Protein-ligand interactions: How universal is the pharmacophore assumption? H. Hu, T. Xie, J. Snyder 283. A synthesis of resveratrol using palladium-catalyzed carbon-carbon bond formation. M. J. Panigot, C. Mathis, S. Hargrave, A. Tucker 284. Design and synthesis of potent curcumin analogs using microwave chemistry as anticancer agents. A. Pal, D. Maxwell, Z. Peng, B. Sung, L. V. Pham, A. Tamayo, R. Ford, B. B. Aggarwal, W. Bornmann 285. Design, synthesis and biological study of 3-aroyl indoles. B. Akula, S. C. Cosenza, V. R. Pallela, N. Iqbal, E. P. Reddy, M. R. Reddy

286. Design, synthesis and screening of novel inhibitors of HMGB1/DNA complex formation. S. Annadurai, N. Krynetskaia, E. Krynetskiy, D. J. Canney 287. Hazardous reactions: Safe production of multiton pharma products. J. A. Schwindeman, N. H. Petousis, I. Hubacek 288. Synthesis and characterization of 4-tertbutylphenylboronic acid. Y. Deng, N. He 289. Synthesis of Tetramic acid derivatives with the use of protecting groups. S. R. K. Pingali, B. S. Jursic 290. Controlled microwave-assisted amination of quinolone. S. Ghassemi 291. Cytotoxic effect of crude extracts or synthetic hedysarimcoumestans on tumor cells. Y-J. Lee, T-H. Tseng, C-F. Chang 292. Design and synthesis of 5’-homoaristeromycin derivatives. Q. Chen, S. W. Schneller 293. Efficient synthesis of racemic tolterodine. J. H. Kang, J. H. Lee, Y. J. Park, K. S. Kim, J. Y. Lee 294. A novel method to synthesize unnatural cystein analogs. K. Roy, D. S. Masterson 295. An improved synthesis of Sinefungin. X. Yin, W. Li, S. W. Schneller 296. Bacterial siderophore: New versatile synthesis and stoichiometry of vulnibactin. R. J. Bergeron, S. Singh, N. Bharti 297. Design, synthesis and biological evaluation of 5-substituted-6-methyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-diamines as dihydrofolate reductase inhibitors. A. Gangjee, W. Li, S. F. Queener 298. Design, synthesis and evaluation of inhibitors for the IL-2/IL-2R␣ interaction. I. Saraogi, A. D. Hamilton 299. Design, synthesis and pharmacological characterisation of novel acetylcholine and carbamoylcholine analogs. C. P. Hansen, A. A. Jensen, T. Liljefors, B. Frølund 300. Design, synthesis, and antiangiogenic effects of a series of potent novel Fumagillin analogs. Y. M. Kim, Y. S. Yoo, H. W. Lee, S. K. Kang, S. K. Ahn 301. Design, synthesis, and evaluation of 6ß-Naltrexol analogs in in vitro opioid receptor models. A. M. Deveau, E. J. Bilsky, W. Sadée, R. M. Smith, A. L. Pelotte 302. Efficient regioselective synthesis of 5⬘−O−lauric 5−azacytidine catalyzed by Candida antarctica lipase B. X. Y. Chen, W-Y. Lou, M. H. Zong, H. Wu 303. Enatioselective synthesis of N-1 and N-2 methylated carbocyclic 5’-orformycin analogs. M. He, J. Zhou, X. Yin, S. W. Schneller 304. Mild, efficient and regioselective synthesis of fatty ester derivatives of 5-fluorouridine via lipozyme TL IM-catalyzed acylation in cosolvent mixtures. H. Wang, M. H. Zong, J. Wu 305. Synthesis of beta-methylthioaspartic acid and derivatives. J. Heredia-Moya, K. L. Kirk 306. Synthesis of new polyhydroxylated pyrrolidine alkaloids and their future as biological inhibitors. M. E. Shirley, W-C. Cheng 307. Synthesis of nonhydrolyzable pyrimidine and purine nucleotide analogs. U. Sahni, J. Gervay-Hague 308. Synthesis and characterization of aplysinopsin analogs. J. E. Johnson, D. C. Canseco, D. D. Dolliver, J. A. Schetz, F. R. Fronczek 309. Polymer assisted, high throughput methods for Petasis and Ugi reactions. P. A. Boguszewski, J. W. Davies, P. A. Marsh, M. Williamson 310. Optimized methods for the synthesis of peptides containing an N-Ethylamide terminus. P. A. Boguszewski, J. W. Davies, P. A. Marsh, G. Margetts, M. Williamson 311. Synthesis and evaluation of á-amidoboronic acids for their ability to interact with carbohydrates. S. Jin 312. The 5’-oxa analog of S-adenosylhomocysteine. W. Li, S. W. Schneller 313. Acetylcholine binding protein (nAChBP) ligands. T. Weide, J. R. Fotsing, N. P. Grimster, T. T. Talley, K. B. Sharpless, P. W. Taylor, V. V. Fokin 314. Synthesis of aeruginosin 298-A analogs as thrombin inhibitors. N. Goyal, X. Nie, G. Wang

TECH–93

TECHNICAL PROGRAM

MEDI/NUCL 315. Unsymmetrical 1,3-diaryl ureas as conformationally rigid inhibitors of soluble expoxide hydrolase. P. A. Baecker, Z. N. Do, H. K. Webb, R. D. Gless 316. Design and synthesis of dipeptidyl peptidase IV inhibitor for the treatment of type II diabetes. T. Peng Cho, L. Zhi Gang, Y. Jia Liang, Z. Fu Qiang, W. Yang, W. Qian, Y. Fang Long, L. He Jun 317. Design and synthesis of hydroxy-alkynoic acid methyl esters as novel activators of BK channels. S. Patil, A. Bukiya, W. Li, A. M. Dopico, D. D. Miller 318. Simple alkenes as nitric oxide vehicles through nitro-oximes. P. B. Poole, S. B. King 319. Angular indoloquinoline analogs as novel antiinfective agents against opportunistic pathogens. S. Y. Ablordeppey, J. R. Etukala, E. V. K. Suresh Kumar, M. Jacob, S. I. Khan, L. A. Walker 320. Synthesis and antibacterial activities of S-heterosubstituted disulfides. P. Ramaraju, E. Turos 321. Antiinfective secondary metabolites from marine sponges and microorganisms. M. Na, D. A. F. Meujo, D. Kevin, M. Anderson, R. T. Hill, R. F. Schinazi, M. T. Hamann 322. From antagonist to agonist: Optimization of a nonsteroidal glucocorticoid receptor ligand. D. DiSalvo, D. Kuzmich, R. Betageri, J. Bentzien, A. Kukulka, D. R. Marshall, G. H. Nabozny, R. Nelson, D. S. Thomson 323. Synthesis and evaluation of novel polyaminocarboxylate-based antitumor agents. H-S. Chong, X. Ma, H. Lee, P. Bui, H. A. Song, N. Birch

THURSDAY MORNING Section A Morial Convention Center La Nouvelle, Blrm. A/B Fatty Acid Synthase Inhibitors as Anticancer, Antibacterial and Antiparasitic Agents

K. Reynolds and R. A. Fecik, Organizers 9:00 324. Mining the Magic Mountain for novel antibacterial agents: Slow onset inhibitors of the enoyl reductase enzymes from Mycobacterium tuberculosis and Francisella tularensis. P. J. Tonge, C. am Ende, H. Lu, K. Bostrom, S. Knudson, N. Liu, T. J. Sullivan, F. Johnson, R. A. Bowen, S. Luckner, C. Kisker, R. A. Slayden 9:30 325. Structure guided design, synthesis and characterization of inhibitors of the bacterial enoyl-ACP reductase Fab1. J. Berman 10:00 326. Synthesis and activity of novel fatty acid synthase inhibitors. G. Ma, R. D. Richardson, M. Zancanella, Y. Oyola, W. Zhang, J. W. Smith, D. Romo 10:30 327. Antisense approaches for antibiotic discovery: Discovery of platensimycin and platencin. S. B. Singh 11:00 328. The mechanism of bioreduction of nitroimidazooxanes by Mycobacterium tuberculosis. C. E. Barry, R. Singh, R. Ledwidge, Y. H. Ha, I-Y. Lee, U. Manjunatha, H. Boshoff

Section B Morial Convention Center Rm. 244/245 General Oral Session

9:40 331. Bump-hole reoptimization of the tacrine pharmacophore achieves selective inhibition of Anopheles gambiae acetylcholinesterase. P. R. Carlier, L. D. Williams, J. R. Bloomquist, T. D. Anderson, S. Paulson, A. Wysinski 10:00 332. Benzimidazolones: A new class of PPAR gamma selective modulators. W-G. Liu, K. Liu, T. E. Akiyama, M. Einstein, J. R. Thompson, C. H. Chang, M. E. McCann, J. P. Berger, H. B. Wood, P. T. Meinke 10:20 333. Crystalline packing: A crucial aspect for developing new cooling agents. S. M. Furrer 10:40 334. Giving the Rule-of-5 a more accurate twist. S. Bhal, I. G. Peirson, K. Kassam, G. Pearl 11:00 335. Synthesis and biological evaluation of novel cannabinoid receptor ligands. H. Shu, S. Izenwasser, M. L. Trudell 11:20 336. Targeting T- and B-cell lymphomas: Heterocyclic antagonists for alpha4beta1 integrin. R. D. Carpenter, K. S. Lam, M. J. Kurth 11:40 337. Targeting the Polo Box Domain of Polo-like kinase 1 for therapeutics. K. M. Carter, P. Wipf 12:00 338. Structure guided design of balanced dual PPARalpha/gamma agonists for the treatment of type II diabetes and dyslipidemia. U. M. Grether, H. Hilpert, B. Kuhn, H. P. Marki, M. Meyer, P. Mohr

THURSDAY AFTERNOON Section A Morial Convention Center La Nouvelle, Blrm. A/B General Oral Session

J. R. McCarthy, Organizer 1:30 339. Rational design and generation of novel bimodal bifunctional ligands for antibody-targeted radiation cancer therapy. H-S. Chong, H. A. Song, T. Le, D. Cheng, H. Lee, X. Ma 1:50 340. ABT-263, an orally bioavailable and efficacious inhibitor of Bcl-2 family proteins. M. Bruncko 2:10 341. Synthesis of bis-diazeniumdiolates and their in vitro activities toward cancer cell lines. D. Andrei, A. Maciag, H. Chakrapani, M. L Citro, J. E Saavedra, L. K Keefer 2:30 342. Synthesis of peptide-amiloride conjugates as prodrugs of urokinase (uPA) inhibitors. B. Poola, A. P. Massey, W. Harley, F. Gorin, M. H. Nantz 2:50 343. Tumor homing peptide conjugated with cisplatin prodrug. M. W. Ndinguri, R. P. Hammer 3:10 344. Mycobacterial porins modified with Urokinase Cleavage Sequence make a potent, highly selective anticancer drug. M. Basel, D. L. Troyer, M. Niederweis, S. H. Bossmann 3:30 345. Antitumor celecoxib analogs that do not inhibit cyclooxygenase-2. N. A. Petasis, K. J. Gaffney, W. Huang, J. Uddin, J. Winkler, C. T. R. Heffern, C. E. Greer, S. G. Louie, F. M. Hofman, T. C. Chen, A. H. Schönthal 3:50 346. Design, synthesis, and antidiarrheal properties of highly potent nonabsorbable multivalent CFTR inhibitors. N. D. Sonawane, D. Zhao 4:10 347. Effect of rhein on MDA-MB-435s breast cancer cells under hypoxic conditions. V. E. Fernand, J. N. Losso, D. K. Bwambok, S. O. Fakayode, I. M. Warner

J. R. McCarthy, Organizer 9:00 329. Discovery and SAR of a novel series of orally efficacious antagonists of the CCK-2/gastrin receptor that block gastric acid secretion in vivo. M. Rabinowitz, B. D. Allison, M. Rosen, V. K. Phuong, L. C. McAtee, C. Prendergast, X. Wu, M. F. Morton, T. Barrett, N. P. Shankley 9:20 330. Identification of a new class of nonpeptidic inhibitors of cruzain. K. Brak, P. S. Doyle, J. H. McKerrow, J. A. Ellman

94–TECH


NUCL Division of Nuclear Chemistry & Technology R. Lacey, Program Chair

SOCIAL EVENT:

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 252 Frontiers of Basic and Applied Nuclear Science

R. Lacey, P. Chowdhury, J. Jia, P. Danielewicz, and W. Holtzmann, Organizers

Social Hour: Mon

BUSINESS MEETINGS: Business Meeting: Mon Executive Meeting: Sun

SUNDAY MORNING Section A Morial Convention Center Rm. 252 Frontiers of Basic and Applied Nuclear Science

R. Lacey, P. Chowdhury, J. Jia, P. Danielewicz, and W. Holtzmann, Organizers 9:00 Introductory Remarks. 9:05 1. Nuclear physics aspects of neutron stars. J. Piekarewicz 9:35 2. Exotic nuclei studied at NSCL with beta spectroscopy. P. F. Mantica 10:05 3. GRETINA: A gamma-ray tracking array for nuclear structure studies. D. Radford 10:35 Intermission. 11:00 4. Nucleon-transfer reactions with exotic light nuclei. A. Wuosmaa 11:30 5. Radioactive nuclei in the cosmos. J. C. Blackmon 12:00 6. Isotope effects observed by chromatography in complex formation. Y-H. Zhang, M. Nomura, Y. Fujii, T. Oi

Section B Morial Convention Center Rm. 253 Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Perspectives on Transactinides Cosponsored by ANYL‡

D. E. Hobart and G. R. Choppin, Organizers D. A. Shaughnessy, Organizer, Presiding 8:30 Introductory Remarks. 8:40 7. Plenary Lecture. Superheavy elements. Y. T. Oganessian 9:40 8. Synthesis and characterization of transactinides at GSI. M. Schaedel 10:10 Intermission. 10:20 9. Chemistry and physics of the heaviest elements at UC Berkeley and LBNL: An overview. H. Nitsche 10:40 10. Using experiments to understand the synthesis of the heaviest nuclei. W. Loveland 11:00 11. Lightest isotope of Bh produced via the 209Bi(52Cr,n)260Bh reaction. S. L. Nelson, K. E. Gregorich, I. Dragojevic, M. A. Garcia, J. M. Gates, R. Sudowe, H. Nitsche 11:20 12. Production and investigation of K isomers in 256Rf. I. Dragojevic, H. B. Jeppesen, R. M. Clark, K. E. Gregorich, M. N. Ali, J. M. Allmond, C. W. Beausang, D. L. Bleuel, P. A. Ellison, P. Fallon, M. A. Garcia, J. M. Gates, J. P. Greene, S. Gros, I. Y. Lee, A. O. Macchiavelli, S. L. Nelson, H. Nitsche, L. Stavsetra, M. Wiedeking 11:40 13. Characterization of the decay properties of 250Cm. K. J. Moody

2:00 14. Color instabilities of the quark-gluon plasma. S. Mrowczynski 2:30 15. Anisotropic flow at RHIC. R. Snellings 3:00 16. Neutron star crusts and the dense matter equation of state. M. Prakash 3:30 Intermission. 3:55 17. Production and decay of nuclei at the neutron drip line. D. J. Morrissey 4:25 18. The interaction of neutron-rich nuclei with 208Pb. W. Loveland

Section B Morial Convention Center Rm. 253 Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Perspectives on Transactinides Cosponsored by ANYL‡

D. E. Hobart and G. R. Choppin, Organizers D. A. Shaughnessy, Organizer, Presiding 1:30 Introductory Remarks. 1:35 19. Present and future of the chemistry of super heavy elements at the Flerov Laboratory. S. N. Dmitriev 2:05 20. Doubly magic nucleus 270Hs. J. Dvorak, W. Brüchle, M. Chelnokov, C. E. Düllmann, Z. Dvorakova, K. Eberhardt, E. Jäger, R. Krücken, A. Kuznetsov, Y. Nagame, K. Nishio, Z. Qin, M. Schädel, B. Schausten, E. Schimpf, R. Schuber, A. Semchenkov, P. Thörle, A. Türler, M. Wegrzecki, B. Wierczinski, A. Yakushev, A. Yeremin 2:25 21. Chemical characterization of the transactinide elements Rf and Db at JAEA. Y. Nagame, A. Toyoshima, Y. Ishii, Y. Kasamatsu, H. Toume, M. Asai, K. Tsukada 2:45 22. Transactinide chemistry behind the separator: New opportunities for studying old familiars. R. Sudowe 3:05 23. Extraction systems for the study of dubnium. J. M. Gates, R. Sudowe, M. N. Ali, M. G. Calvert, I. Dragojevic, P. A. Ellison, M. A. Garcia, N. Gharibyan, K. E. Gregorich, S. L. Nelson, S. H. Neumann, T. Parsons-Moss, L. Stavsetra, H. Nitsche 3:25 Intermission. 3:40 24. Radiochemical isolation of dubnium as the decay product of element 115. D. A. Shaughnessy, J. H. Landrum, P. A. Wilk, K. J. Moody, J. M. Kenneally, N. J. Stoyer, R. A. Henderson, M. A. Stoyer, J. F. Wild, R. Haslett 4:00 25. A new separation scheme for Db using Eichrom’s DGA resin. R. A. Henderson, J. M. Kenneally, K. J. Moody, D. A. Shaughnessy 4:20 26. Characterization of heavy actinides with electrochemistry. A. Toyoshima, Y. Kasamatsu, K. Tsukada, M. Asai, Y. Kitatsuji, H. Haba, Y. Ishii, H. Toume, I. Nishinaka, K. Ooe, W. Sato, A. Shinohara, K. Akiyama, Y. Nagame 4:40 27. Recent developments in automated liquid-liquid extraction studies of transactinide elements. J. P. Omtvedt


NUCL MONDAY MORNING Section A Morial Convention Center Rm. 252 Frontiers of Basic and Applied Nuclear Science Glenn T. Seaborg Award for Nuclear Chemistry: Symposium in Honor of Romualdo de Souza

R. Lacey, P. Chowdhury, J. Jia, P. Danielewicz, and W. Holtzmann, Organizers 9:00 Introductory Remarks. 9:05 28. Nuclear stability and decay modes. U. Schroder 9:35 29. Probing the symmetry energy with 40,48Ca+40,48Ca collisions. A. Chbihi 10:05 30. Probing very low density nuclear matter in heavy ion collisions. L. Qin, R. Wada, K. Hagel, Z. Chen, S. Kowalski, P. Sahu, C. Bottosso, S. Shlomo, G. Roepke, J. Natowitz 10:35 Intermission. 11:00 31. The fission barrier landscape. L. Phair, L. Moretto 11:30 32. Withdrawn.

Section B Morial Convention Center Rm. 253 A Life Well-spent in Actinide Science: Contributions of James C. Sullivan General Aspects and Actinide Cation-Cation Interactions

L. Rao, J. I. Friese, L. R. Martin, and L. R. Morss, Organizers T. C. Shehee, Presiding K. L. Nash and D. W. Wester, Organizers, Presiding 8:30 Introductory Remarks. 8:55 33. A career in nuclear medicine research after a summer at Argonne National Lab with James C. Sullivan (Sully). C. J. Anderson 9:20 34. Jim Sullivan: An extraordinary mentor. C. G. Pippin 9:45 35. Insights into the hydrogen evolution reaction using radiation chemistry. D. Meisel 10:10 Intermission. 10:30 36. Cation-cation interactions in uranyl and neptunyl compounds. P. C. Burns, T. Z. Forbes 10:55 37. On the importance of cation-cation interactions in Np(V) compounds in determining structure and magnetic properties. R. E. Sykora, P. M. Almond, S. Skanthakumar, L. Soderholm, G. B. Jin, A-G. Nelson, T. E. Albrecht-Schmitt 11:20 38. Cation-cation interactions in Np(V) and Pu(V) compounds. M. S. Grigoriev, N. N. Krot

2:35 40. Collective effects in A+A and hadron collisions at the highest energies. M. Lisa 3:05 Intermission. 3:30 41. On the road to a nuclear shipwreck. V. J. Victor 4:00 42. Measurements of 3-D emission source functions in Au+Au collisions. R. Lacey

Section B

Morial Convention Center Rm. 252 Frontiers of Basic and Applied Nuclear Science Glenn T. Seaborg Award for Nuclear Chemistry: Symposium in Honor of Romualdo de Souza

Morial Convention Center Rm. 253 A Life Well-spent in Actinide Science: Contributions of James C. Sullivan Actinide Complexes and Compounds

K. L. Nash, L. Rao, D. W. Wester, J. I. Friese, and L. R. Morss, Organizers

A Life Well-spent in Actinide Science: Contributions of James C. Sullivan Actinide Separations and Electronic Properties

G. A. Fugate, Presiding

K. L. Nash, L. Rao, D. W. Wester, J. I. Friese, and L. R. Martin, Organizers C. J. Anderson, Presiding L. R. Morss, Organizer, Presiding 1:30 43. Separations of americium from trivalent actinides and lanthanides in carbonate systems: An approach inspired by americium redox chemistry studies of Jim “Sully” Sullivan. T. C. Shehee, K. L. Nash 1:55 44. Recovering enriched uranium from incineration ash using supercritical carbon dioxide. C. M. Wai, S. S. Koegler 2:20 45. Extraction of trivalent lanthanides with oxa-diamides in supercritical carbon dioxide. G. Tian, W. Liao, C. M. Wai, L. Rao 2:45 46. Stability of uranosilicate products of nuclear waste degradation and diagenesis. M. C. F. Wander, A. Clark 3:10 Intermission. 3:30 47. Charge transfer and vibronic transitions of uranyl in polymeric complexes. G. Liu, C. Cahill, M. Frisch, J. Huang 3:55 48. Applications of X-ray absorption spectroscopy to the electronic structure of actinide ions. D. L. Clark, E. R. Batista, K. S. Boland, C. J. Burns, S. D. Conradson, S. A. Kozimor, P. J. Hay, R. L. Martin, D. E. Schwarz, M. P. Wilkerson, L. E. Wolfsberg, P. Yang 4:20 49. Probing electronic structure of uranium-ligand bonds: Theoretical study of X-ray absorption spectroscopy. P. Yang, E. R. Batista, P. J. Hay, R. L. Martin, K. S. Boland, C. J. Burns, C. N. Christensen, D. L. Clark, S. D. Conradson, D. E. Schwarz, M. P. Wilkerson, L. E. Wolfsberg

TUESDAY MORNING Section A Morial Convention Center Rm. 252 Frontiers of Basic and Applied Nuclear Science

L. R. Martin, Organizer, Presiding 8:30 55. Complexation thermodynamics of plutonium (IV) with fluoride ligand. Y. Xia, J. I. Friese, L. Rao, M. Dean, P. Bachelor 8:55 56. Plutonium carbonates and additional environmentally relevant complexes. M. P. Neu, S. D. Reilly 9:20 57. An application of calorimetry in the determination of an EDTA uptake pathway - EppABC transporter. Z. Zhang, H. Zhang, J. P. Herman, S. B. Clark, L. Xun 9:45 58. Investigation of new thorium structures. G. Sigmon 10:10 Intermission. 10:30 59. Ternary calcium actinide hydroxo complexes: A new class of aqueous actinide species. T. Fanghänel, V. Neck, M. Altmaier, T. Rabung 10:55 60. New layered uranyl phosphates: Hydrothermal syntheses, structures, characterizations, and iodate incorporation. J. Ling, J. T. Shafer, P. C. Burns, T. E. Albrecht-Schmitt 11:20 61. Sorption of trivalent f-element cations on uranium(VI) silicate minerals. S. L. Holbrook, N. A. Wall, S. B. Clark

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 252

WEDNESDAY MORNING Section A Morial Convention Center Rm. 252 Frontiers of Basic and Applied Nuclear Science

R. Lacey, P. Chowdhury, J. Jia, P. Danielewicz, and W. Holtzmann, Organizers 9:00 73. Electrons and photons: A clock and a thermometer of heavy ion collisions at RHIC. A. Toia 9:30 74. Exploring dense nuclear matter with heavy-ion collisions. P. T. Senger 10:00 75. Isospin dyamics in the nuclear equation of state. B. Tsang 10:30 Intermission. 11:00 76. Probing the partonic medium in heavy ion reactions at RHIC with angular correlation studies. W. G. Holzmann 11:30 77. Probing the isospin dependence of the nuclear equation of state. A. Bickley

Section B Morial Convention Center Rm. 253 Global Nuclear Energy Partnership (GNEP): Science and Technology for a Nuclear Future Nuclear Cross Section Measurement Cosponsored by ENGENV

J. T. Boger, J. D. Law, and N. Soelberg, Organizers


8:30 Introductory Remarks. 8:35 78. Global Nuclear Energy Partnership: An R&D overview. J. T. Boger 9:00 79. Nuclear data needs for the GNEP program. G. Palmiotti, M. Salvatores, G. Alberti 9:25 80. Actinide target fabrication for neutron cross section measurements. J. D. Baker, C. A. McGrath, T. S. Hill, A. J. Couture, F. Tovesson, D. J. Vieira, T. A. Bredeweg, R. Reifarth 9:50 81. Recent high precision fission and capture measurements at LANSCE for GNEP. T. S. Hill 10:15 Intermission. 10:35 82. Gas production by fast neutrons for assessing radiation damage. R. C. Haight 11:00 83. Neutron cross section covariances for GNEP. P. Oblozinsky 11:25 84. Materials Test Station: An accelerator-driven fast spectrum fuels irradiation facility. E. J. Pitcher

2:00 62. Interplay of the symmetry energy and surface in semi-infinite nuclear matter. P. Danielewicz 2:30 63. Nuclear incompressibility, symmetry energy, and neutron stars. U. Garg 3:00 64. The Hagedorn thermostat. L. Moretto 3:30 Intermission. 3:55 65. Probe the high energy density matter with jets. J. Jia 4:25 66. Viscosity at RHIC. S. Pratt

Section B

9:00 50. Direct photon physics: From RHIC to LHC. J. Rak 9:30 51. Neutron rich nuclei in astrophysics. H. Schatz 10:00 52. Quantum phase transitions in finite many-body systems. M. A. Caprio 10:30 Intermission. 10:55 53. What can we learn about the symmetry energy of the nuclear equation of state from heavy-ion collisions? S. Yennello

A Life Well-spent in Actinide Science: Contributions of James C. Sullivan Reaction Kinetics of Actinides and other Elements


2:45 70. Kinetics of persulfate oxidation of Cr(III) to chromate under alkaline conditions. S. B. Clark, J. I. Friese, Z. Zhang, L. Rao 3:10 Intermission. 3:30 71. Americium oxidation/reduction kinetics with sodium bismuthate oxidant. L. R. Martin, B. J. Mincher, N. C. Schmitt 3:55 72. Redox kinetics and mechanism: Understanding the reduction of Np(VI) by natural organic compounds at the molecular level. L. Rao 4:20 Concluding Remarks.

Frontiers of Basic and Applied Nuclear Science


R. Lacey, P. Chowdhury, J. Jia, P. Danielewicz, and W. Holtzmann, Organizers 2:00 Introductory Remarks. 2:05 39. Award Address (Glenn T. Seaborg Award for Nuclear Chemistry, sponsored by ACS Division of Nuclear Chemistry and Technology). Probing the birth of clusters in a warm and dilute nuclear medium with correlation functions. R. de Souza

Section B



11:25 54. Semiotics of heavy ion collisions. T. Trainor


WEDNESDAY AFTERNOON

K. L. Nash, L. Rao, D. W. Wester, L. R. Martin, and L. R. Morss, Organizers

Section A

C. G. Pippin, Presiding


J. I. Friese, Organizer, Presiding 1:30 67. James C. Sullivan: Pioneering work on actinide kinetics. K. L. Nash, M. P. Jensen 1:55 68. Kinetics of actinide coordination chemistry. G. A. Fugate 2:20 69. The reduction kinetics of Fe(III), U(VI) and Tc(VII) ions by cytochromes of Shewanella oneidensis MR-1. Z. Wang, L. Shi, C. Liu, M. J. Marshall, J. M. Zachara, K. M. Rosso, J. K. Fredrickson

Frontiers of Basic and Applied Nuclear Science

R. Lacey, P. Chowdhury, J. Jia, P. Danielewicz, and W. Holtzmann, Organizers 2:00 85. An odyssey along the N=Z line to 100Sn and beyond. C. J. Lister 2:30 86. New developments at ultrahigh spin in N∼90 Er, Tm and Yb nuclei. M. A. Riley 3:00 87. K-Isomers in the heaviest nuclei. P. Chowdhury

TECH–95

TECHNICAL PROGRAM

NUCL/ORGN 3:30 Intermission. 4:00 88. Recombination of quarks in nuclear collisions. R. J. Fries 4:30 89. The ATLAS Heavy Ion Physics Program. N. Grau

Section B Morial Convention Center Rm. 253 Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Actinide Separation Methods from Microscale to Industrial Scale Cosponsored by ANYL‡

D. E. Hobart, C. J. Coleman, G. R. Choppin, and D. S. Peterson, Organizers E. P. Hastings, Presiding 1:30 Introductory Remarks. 1:35 90. Complexation thermodynamics and the structure of the binary complexes of modified DTPA ligands and their ternary complexes with oxalic acid. G. R. Choppin, P. Thakur 1:55 91. Industrial scale processing of Pu utilizing Gd as a neutron poison. M. G. Bronikowski, R. A. Pierce, J. H. Gray 2:15 92. Automated analytical-scale separations for actinides. J. W. Grate, O. B. Egorov, M. J. O’Hara 2:35 93. The fascinating chemistry of the TALSPEAK process. K. L. Nash, M. Nilsson 2:55 94. Uranyl Schiff base coordination chemistry: Synthesis, reactivity, and extraction studies. M. S. Bharara, A. E. V. Gorden 3:15 Intermission. 3:30 95. Redox behavior and sorption of actinide ions on an extraction chromatography resin containing Kläui ligands. G. J. Lumetta, T. G. Levitskaia, S. I. Sinkov 3:50 96. Actinide selectivity among titanatebased sorbents. D. T. Hobbs, M. D. Nyman 4:10 97. Americium curium separations for nuclear chemistry experiments. A. Slemmons, E. M. Bond, W. A. Moody, D. J. Vieira, J. R. FitzPatrick, R. Sudowe 4:30 98. Development of chromatographic separation methods of actinides for bioassay applications. D. S. Peterson, C. E. Armenta, V. M. Montoya 4:50 99. Reduction and complexation of Technetium-99 Pertechnetate by polyoxometalates: Understanding reduction of Tc-99 and complexation into metal oxide bonds on a molecular level. D. McGregor, I. M. Mbomekalle, R. C. Howell, L. C. Francesconi

THURSDAY MORNING Section A Morial Convention Center Rm. 252 Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Perspectives on Actinides Cosponsored by ANYL‡

D. E. Hobart, C. J. Coleman, and G. R. Choppin, Organizers D. Hobbs, Organizer, Presiding 8:30 Introductory Remarks.


96–TECH

8:35 100. Comparative studies of local structure in UO2+x: A combined neutron diffraction and X-ray absorption study. K. S. Boland, D. L. Clark, S. D. Conradson, X. J. Espinosa-Faller, D. A. Llobett, D. E. Schwarz, L. E. Wolfsberg 8:55 101. Addressing the structural chemistry of UO2+x and PuO2+x with laboratory and computer experiments. S. D. Conradson, A. Andersson, K. Boland, D. L. Clark, S. Kozimor, X. J. Espinosa-Faller 9:15 102. Utilizing oxygen k-edge X-ray absorption spectroscopy to compare covalency for d- and f-block metals. S. A. Kozimor, E. R. Batista, K. S. Boland, J. M. Boncella, C. J. Burns, D. L. Clark, S. D. Conradson, R. L. Gdula, C. R. Graves, P. J. Hay, J. L. Kiplinger, L. P. Spencer, L. R. Martin, M. P. Wilkerson, L. P. Wolfsberg, P. Yang 9:35 103. Electronic structure measurements of Cs2Np(VI)O2Cl4 using fluorescence emission and ligand k-edge X-ray absorption spectroscopies. M. P. Wilkerson, J. M. Berg, D. L. Clark, S. D. Conradson, D. E. Hobart, S. A. Kozimor 9:55 104. Actinide accountability and process control measurements using absorption spectroscopy and chemometrics. R. Lascola, G. A. Cooper, V. Sharma, M. A. Sanders, W. E. Davis 10:15 Intermission. 10:30 105. Applications of diffuse reflectance spectroscopy to the analysis and characterization of actinide solids. D. E. Hobart, D. S. Peterson, E. P. Hastings, L. Tandon 10:50 106. Uranium and plutonium solublity in caustic tank waste supernates. W. D. King, W. R. Wilmarth, D. T. Hobbs, T. B. Edwards 11:10 107. Analysis of trace radionuclides in bulk silver metal from Rocky Flats. A. A. Plionis, E. R. Gonzales, C. E. Armenta, D. S. Peterson 11:30 108. Study of the risk of leukemia disease due to environmental pollution by Cs137 radionuclides. N. I. Shaniyazov, K. T. Gulorom 11:50 109. Plutonium oxide residue surrogate analysis using Laser Induced Breakdown Spectroscopy. J. P. Singh, F-Y. Yueh, H. Zheng, T. Miller, K. E. Zeigler, J. C. Marra

11:25 116. Advanced Safeguards Test Platform concept for AFCF. K. E. Thomas, S. Demuth

THURSDAY AFTERNOON Section A Morial Convention Center Rm. 252 Developments in Advanced Characterization Techniques in Actinide and Transactinide Science Magnetic Resonance Techniques Cosponsored by ANYL‡

S. A. Bryan, D. E. Hobart, and G. R. Choppin, Organizers H. M. Cho, Organizer, Presiding 1:30 Introductory Remarks. 1:35 117. Magic-angle-spinning nuclear magnetic resonance as a probe of nuclear materials. I. Farnan, H. Cho, W. J. Weber, J. Somers, C. Nastren, L. A. Boatner 1:55 118. Multinuclear NMR study of the structure and ligand exchange dynamics of uranium(VI) complexes. Z. Szabó, I. Grenthe 2:15 119. NMR spectroscopy: A useful tool for investigations in fuel reprocessing. E. Bosse, C. Berthon, P. Moisy, S. Nikitenko, M. S. Grigoriev 2:35 120. Electron paramagnetic resonance spectroscopy applied to the characterization of actinide properties. L. A. Boatner 2:55 Intermission. 3:10 121. Low cost CE-NMR with microcoils for characterization of actinide materials. J. L. Herberg, V. Demas, V. Malba, A. Bernhardt, L. Evan, R. Maxwell 3:30 122. Nuclear magnetic resonance and actinide ions. J. F. Desreux, D. Braekers, C. Peters 3:50 123. Comparative ligand exchange dynamics in light actinide ions (U, Np, Pu, Am) probed by NMR spectroscopy. D. L. Clark, M. P. Neu, P. D. Palmer, B. M. Stout, J. C. Sullivan 4:10 124. Nuclear magnetic resonance studies of broken symmetries in actinide compounds. N. Curro

ORGN Division of Organic Chemistry W. J. Greenlee and S. M. Sieburth, Program Chairs

OTHER SYMPOSIA OF INTEREST: Celebrating Ten Years of Beckman Scholars in Chemistry (see PRES, Sun, Mon)

SOCIAL EVENTS: Poster Session and Social Hour 7-10 PM: Wed Poster Session and Social Hour 8-10 PM: Sun

SUNDAY MORNING Section A Morial Convention Center La Nouvelle, Blrm. C Ronald Breslow Award for Achievement in Biomimetic Chemistry: Symposium in Honor of Joanna Aizenberg Cosponsored by WCC and BIOL

L. Estroff, Organizer 8:30 Introductory Remarks. 8:35 1. Mimicking prebiotic chemistry. M. Levine, R. Breslow 9:20 2. Studying bone mineralization in the test tube. S. I. Stupp 10:05 3. SAMs, the liquid-metal junction, and the study of electron transport through organic monolayer films. G. M. Whitesides, E. A. Weiss, R. C. Chiechi, C. Nijhuis, W. Reus, M. A. Rampi 10:50 Introduction of Award Winner. 11:00 4. Award Address (Ronald Breslow Award for Achievement in Biomimetic Chemistry, sponsored by The Ronald Breslow Endowment). Biomimetic chemistry à la echinoderms. J. Aizenberg

Section B Section B

Section B Morial Convention Center Rm. 253 Global Nuclear Energy Partnership (GNEP): Science and Technology for a Nuclear Future Spent Fuel Separations Cosponsored by ENGENV

J. T. Boger, J. D. Law, and N. Soelberg, Organizers 8:30 Introductory Remarks. 8:35 110. Investigating engineering alternatives for reprocessing spent nuclear fuel. W. B. McNaught 9:00 111. The Advanced Fuel Cycle Facility (AFCF) and its support of the GNEP objectives. E. A. Yde 9:25 112. Lab-scale demonstrations of UREX+ processes. C. Pereira, G. F. Vandegrift, M. C. Regalbuto, A. J. Bakel, J. J. Laidler 9:50 113. Chemistry of actinides and lanthanides in TALSPEAK, TRUEX and NPEX processes of UREX+. A. V. Gelis, D. L. Bowers, A. S. Hebden, C. Pereira, M. Regalbuto, G. F. Vandegrift 10:15 Intermission. 10:35 114. Separation of cesium and strontium from spent nuclear fuel using the Fission Product Extraction process. D. R. Peterman, C. L. Riddle, M. R. Greenhalgh, J. D. Law, D. H. Meikrantz, T. A. Todd 11:00 115. The effect of gamma-radiation on the FPEX and CCD-PEG processes for the separation of Cs and Sr from nuclear fuel dissolution. B. J. Mincher, S. P. Mezyk, G. Elias, R. D. Tillotson, C. L. Riddle, R. S. Herbst, W. F. Bauer, J. D. Law, T. A. Todd, D. R. Peterman

Morial Convention Center Rm. 253 Global Nuclear Energy Partnership (GNEP): Science and Technology for a Nuclear Future Fuel Fabrication and Waste Forms Cosponsored by ENGENV

Morial Convention Center Rm. R05 ACS Award for Research at an Undergraduate Institution: Symposium in Honor of John Gupton

M. P. Doyle, Organizer J. T. Boger, J. D. Law, and N. Soelberg, Organizers 1:30 Introductory Remarks. 1:35 125. AFCF feed conditioning flowsheet development. G. F. Kessinger, W. R. Dworzak, C. Grigsby 2:00 126. Global nuclear energy partnership waste treatment baseline. D. Gombert II 2:25 127. Gaseous fission product emissions control during spent nuclear fuel recycling. N. Soelberg, D. Haefner, B. Jubin 2:50 128. Fundamental study for the understanding of inorganic iodine separations and waste forms. T. M. Nenoff, N. W. Ockwig, T. J. Garino, J. L. Krumhansl 3:15 Intermission. 3:30 129. Elution of technetium from anion exchange resins. E. Mausolf, C-M. S. Gong, J. du Bouchaud du Mazabrun, F. Poineau, D. K. Ford, G. Jarvinen, K. Czerwinski 3:55 130. Reductive sorption of Tc onto metallic iron from anion resin elutents. J. A. Fortner, W. L. Ebert, A. J. Kropf, J. C. Cunnane 4:20 131. Incorporating technetium and other fission products from processed spent nuclear fuel into a metallic waste form. S. F. Frank, D. D. Keiser, P. A. Hahn 4:45 132. Monazite waste forms as a potential solution to future nuclear high-level liquid waste challenges. V. Maio

8:30 5. Centanamycin: A powerful and new antimalarial agent that targets the minor groove of the A/T rich Plasmodium genome. M. Lee, S. Yanow, L. Purcell, T. Spithill 9:10 6. Drug discovery. M. Brown 9:50 7. Application of thio chemistry for the synthesis of nitrogen heterocycles. A. Padwa, A. C. Flick 10:30 8. Award Address (ACS Award for Research at an Undergraduate Institution, sponsored by Research Corporation). Vinylogous iminium salts as building blocks in organic synthesis. J. T. Gupton

Section C Morial Convention Center Rm. R06 Asymmetric Reactions and Syntheses

X. Huang, Presiding 8:00 9. Applications of double asymmetric induction to the synthesis of L,L-di-myoinositol-1,1’-phosphate. C. M. Longo, S. J. Miller


ORGN 8:20 10. Development of modular peptide catalysts for the near-nanometer enantioselective acylation of a bis-phenol and the site-selective modification of erythromycin A. C. A. Lewis, S. J. Miller 8:40 11. Asymmetric acylimidazole alkylation under phase-transfer conditions. M. A. Christiansen, M. B. Andrus 9:00 12. Asymmetric organocatalytic heteroatomic ␣- and ␤-functionalizations of ␣,␤-unsaturated electrophiles. M. Nielsen, P. Dinér, H. Jiang, W. Zhuang, S. Bertelsen, M. Marigo, J. B. Nielsen, B. Niess, K. A. Jørgensen 9:20 13. Catalytic asymmetric rearrangement of prochiral allylic (O)-thiocarbamates to chiral allylic (S)-thiocarbamates. S. W. Roberts, H. F. Sneddon, L. E. Overman 9:40 14. Catalytic asymmetric synthesis of beta-aminophosphonates via Mannich reaction and Michael addition. O. P. Oommen, V. Rai, I. N. Namboothiri 10:00 15. Dual catalyst systems: Using ureas to provide site-isolation and rate enhancement in asymmetric reactions. S. L. Poe, M. Kobaslija, D. T. McQuade 10:20 16. Enantioselective, organocatalytic reduction of ketones using bifunctional amine/thiourea catalyst. J. R. Falck, D. Li 10:40 17. Free radical-based strategy to the asymmetric synthesis of polypropionate stereopentads. J-F. Brazeau, P. Mochirian, Y. Guindon 11:00 18. Functionalization of aldehydes using secondary amines. S. Bertelsen, K. A. Jørgensen 11:20 19. Lewis acid mediated additions of 1,3-bis(silyl)propenes to glyoxyamide: An efficient approach to the synthesis of highly functionalized allylsilanes. P. Somfai, P. Tuzina 11:40 20. Remote steric effect on enantioselective cyclopropanation reactions with planar-chiral pyridinophanes. N. Kanomata, R. Sakaguchi, K. Kimura, H. Kubota, K. Sekine

Section D Morial Convention Center Rm. R04 New Reactions and Methodology

B. M. Maryanoff, Presiding 8:00 21. Concise approaches to heterocycles from 4-(trichloromethyl)-2-oxetanone. J. L. Shamshina, T. S. Snowden 8:20 22. Synthesis of disparate polysubstituted aromatics via carbometallation of arynes. A. Ganta, T. S. Snowden 8:40 23. New applications of trichloromethyl carbinols in synthesis. L. R. Cafiero, T. S. Snowden 9:00 24. New breakthroughs in microwave chemistry. T. M. Barnard, E. K. Barnhardt, G. S. Vanier 9:20 25. Alkylidene transfers using sulfur ylide technologies. D. C. Forbes 9:40 26. Construction of fully substituted stereocenters: Alkylation followed by reductive lithiation and cyclization of unsaturated ␣-aminonitriles. R. J. Bahde, S. D. Rychnovsky 10:00 27. Darzens condensation with acyl phosphonates. A. S. Demir, M. Emrullahoglu, E. Pirkin, N. Akca 10:20 28. Dimethyl mesoxalate mediated Mitsunobu oxidation-reduction condensation reactions. P. H. Toy 10:40 29. Direct carbon–carbon bond formation via chemoselective thioester enolate formation. D. M. Coltart 11:00 30. Withdrawn. 11:20 31. sp3 C-H functionalization via Lewis acid induced intramolecular redox cascades. K. M. McQuaid, D. Sames 11:40 32. Studies on the structure/reactivity relationships of bicyclic epoxonium ions toward tethered nucleophiles. S. Wan, P. E. Floreancig RNA as a Drug Target Sponsored by CARB, Cosponsored by BIOL, MEDI, and ORGN

SUNDAY AFTERNOON Section A Morial Convention Center La Nouvelle, Blrm. C James Flack Norris Award in Physical Organic Chemistry: Symposium in Honor of Dennis A. Dougherty

C. A. Maryanoff, Organizer 1:30 Introductory Remarks. 1:35 33. Engineering bacteria to recognize and follow small molecules. J. P. Gallivan 2:20 34. Molecular recognition in drug discovery research. F. Diederich 3:05 35. Investigating molecular recognition from model systems to the histone code. M. L. Waters 3:50 Introduction of Award Winner. 4:00 36. Award Address (James Flack Norris Award in Physical Organic Chemistry, sponsored by the Northeastern Section, ACS). Physical organic chemistry on the brain. D. A. Dougherty

Section B Morial Convention Center Rm. R05 Novel Fluorophores Cosponsored by PMSE

U. H. F. Bunz, Organizer L. M. Tolbert and C. J. Fahrni, Presiding 1:00 Introductory Remarks. 1:05 37. Phenyl-acetylene scaffolding as novel fluorescent materials. M. M. Haley 1:40 38. Synthetic challenges in opening a large orifice on the surface of fullerene C60. Y. Rubin, S. C. Chuang, S. Huang 2:15 39. Fluorescent nucleobase replacements: Building blocks for pi-stacked architectures and fluorophore libraries. J. N. Wilson, Y. N. Teo, Y. Cho, E. T. Kool 2:35 40. Diversity-oriented syntheses of functional pi-electron systems by multicomponent and domino reactions. T. J. J. Müller 3:05 Intermission. 3:15 41. Design of fluorescent sensors for the biological chemistry of zinc and copper. C. J. Fahrni 3:50 42. Novel fluorophores based on the green fluorescent protein. L. M. Tolbert, K. M. Solntsev, J. Dong, A. Baldridge 4:25 43. Protein sensing using fluorescent polymers and nanoparticle-polymer complexes. V. M. Rotello, U. H. F. Bunz 5:00 44. Fluorescence studies on the mechanism for photochirogenesis in the dimerization of 2-anthracenecarboxylate mediated by serum albumins. C. Bohne, Y. Inoue, T. C. S. Pace, T. Wada, M. Nishijima, T. Mori, A. Nakamura

Section C Morial Convention Center Rm. R06 Asymmetric Reactions and Syntheses

D. Xiao, Presiding 1:00 45. Ytterbium acetate promoted asymmetric reductive amination: Significantly enhanced stereoselectivity. T. C. Nugent, M. M. El-Shazly, V. N. Wakchaure 1:20 46. Asymmetric bis-boranes as bidentate catalysts. A. A. Rodriguez, K. J. Shea 1:40 47. Asymmetric formation of allylic amines with nitrogen-substituted quaternary stereocenters by palladium(II)-catalyzed aza-claisen rearrangements. D. F. Fischer, Z-Q. Xin, R. Peters


2:00 48. Cu-catalyzed asymmetric conjugate additions of organoaluminum reagents to cyclic enones: Novel NHC ligands for the formation of all carbon quaternary stereogenic centers. T. L. May, M. K. Brown, A. H. Hoveyda 2:20 49. Effect of the backbone geometry on the configuration stability of the asymmetric nitrogen in an N/P ligand during a palladium catalyzed asymmetric allylic substitution. M. Petit, G. Nonglaton, V. Schnitzler, P. Janvier, B. Bujoli 2:40 50. Enantioselective synthesis of planar-chiral ferrocenes by asymmetric ringclosing metathesis. M. Ogasawara, S. Watanabe, K. Nakajima, T. Takahashi 3:00 51. Highly enantioselective indiummediated allylation of ketimine hydrazones. G. R. Cook, R. Kargbo, R. Hayashi, Y. Takahashi 3:20 52. Hydrogenation of vicinal diketones over cinchona alkaloid modified platinum. I. Busygin, E. Toukoniitty, V. Nieminen, A. Taskinen, D. Y. Murzin, R. Leino 3:40 53. Palladium-catalyzed asymmetric synthesis of axially chiral allenylsilanes and their application in chirality transfer reactions. M. Ogasawara, A. Okada, S. Sögel, T. Takahashi 4:00 54. Pendant Co(III)-salen polymer brush catalysts for the kinetic resolution of epichlorohydrin. C. S. Gill, C. W. Jones 4:20 55. Regioselective insertion of internal, unsymmetrical alkynes in asymmetric rhodium-catalyzed [2+2+2] cycloadditions. R. A. Keller, T. Rovis 4:40 56. Asymmetric allylic amines formation via iridium catalyzed carbon-carbon bond forming hydrogenations. M-Y. Ngai, A. Barchuk, M. J. Krische


J. Cumming, Presiding 1:00 57. Synthesis of a novel tricyclic aluminum alkoxide Lewis acid catalyst for organic transformations. S. M. Raders, J. G. Verkade 1:20 58. P(PhCH2NCH2CH2)3N-Catalyzed Mukaiyama Aldol reactions of carbonyl compounds. V. R. Chinta Reddy, K. Wadhwa, S. M. Raders 1:40 59. A highly stereoselective TMSOTfmediated catalytic carbocupration of alkynoates. A. J. Mueller, M. P. Jennings 2:00 60. Catalytic carboxylation of organozinc reagents. C. S. Yeung, V. M. Dong 2:20 61. Gallium triflate catalyzed ionic hydrogenation of carbonyl compounds. G. K. S. Prakash, T. Mathew, C. Do, C. Panja, G. A. Olah 2:40 62. Gold(I)-catalyzed efficient synthesis of isoflavanones, aza-isoflavanones, isoflavones and pterocarpans. R. Skouta, C-J. Li 3:00 63. Grignard-mediated coupling of epoxides for the convergent synthesis of polypropionates. E. M. Valentín-Nevárez, M. Mulero, K. Rosa, J. A. Prieto 3:20 64. Metallonitrenes for organic synthesis: New catalysts and new reactions. S. Blakey 3:40 708. Efficient chiral amine synthesis: Lewis Acid mediated reductive amination. T. C. Nugent 4:00 66. Phosphorus based electrophiles and their applications in cross coupling chemistry and natural product synthesis. T. M. Woods, P. G. Steel, J. D. Harling 4:20 67. Sequential “allyl” boration-Prins cyclization for the preparation of substituted tetrahydropyrans. P. D. Gagare, P. V. Ramachandran 4:40 68. Alkali metal in silica gel as a versatile reagent for deprotection of amines. P. Nandi, M. Redko, J. L. Dye, M. Lefenfeld, J. E. Jackson ACS Award for Creative Work in Fluorine Chemistry: Symposium in Honor of Dennis P. Curran Sponsored by FLUO, Cosponsored by ORGN

SUNDAY EVENING Section A Morial Convention Center Hall A Physical Organic Chemistry, Combinatorial and Process Chemistry, New Reactions and Methodology, Peptides, Proteins and Amino Acids

S. M. Sieburth, Organizer 8:00–10:00 69. Green and chemoselective reduction of carbonyl moieties using sodium borohydride in PEG. S. Sambher, M. Garg, N. Mittal, H. Kaur, C. Baskar 70. Phase transfer catalyzed selective reduction of functionalized carbonyl moieties with sodium borohydride. S. Sambher, S. Lata, M. Sharma, C. Baskar 71. Metathesis and Heck strategies to bi- and tricyclic sultam libraries. D. K. Rayabarapu, P. R. Hanson 72. New methodologies for the generation of diverse sultam libraries utilizing ROM polymerization. A. Rolfe, K. Volp, K. Young, P. R. Hanson 73. Oxa-Michael and Baylis-Hillman strategies toward synthesis of sultam libraries. C. A. Knudtson, A. Zhou, H. Shah, P. VanderVelde, P. R. Hanson 74. ROMP strategies in library development. T. R. Long, D. K. Rayabarapu, M. Jimenez, J. Wewel, S. Klimberg, P. R. Hanson, D. L. Flynn 75. Skeletally diverse sultams via Dieckman cyclization. T. Samarakoon, D. Barrera, P. R. Hanson 76. The zwitterionic effect in the stereoselectivity of the reduction of tropinone. J. M. Hahn, R. Wamwati, N. Morris 77. Disperse red 1 fluorescence emission in solution at room temperature. C. Toro, A. Thibert, L. De Boni, A. Matsunov, F. E. Hernández 78. The repellency of dihydronepetalactone diastereomers. M. A. Scialdone 79. pH-Dependent cis-trans isomerization rates for azo dyes in aqueous solution. N. J. Dunn, T. C. Celius, J. A. Gray 80. Phospha-Michael additions without added solvent or catalyst. R. A. Stockland Jr. 81. Photochemical reaction of acetophenone and cyclohexane in zeolite studied by solid state nuclear magnetic resonance. D. Cizmeciyan, A. Natarajan, S. D. Karlen, A. M. Amboya, S. M. Baylon, T. T. Nguyen, A. Brown, M. A. Garcia-Garibay 82. Photolysis of oxenium ion precursors. Y-T. Wang, M. Novak, S. H. Leopold, K. J. Jin 83. Practical synthesis of gemcitabine, an anticancer agent. W-S. Li, C. N. Zimmerman, Y. Wein 84. Preparation and structure of N,N-disubstituted 2-iodylaniline oxides: New pseudocyclic iodine(V) oxidants. Z-G. M. Kazhkenov, R. R. Karimov, V. N. Nemykin, V. V. Zhdankin 85. Preparation of homochirally similar isoleucine analogs through a common synthetic intermediate. S. Dawn, D. S. Masterson 86. Preparation of pyridine-2-boronic esters, thiazole-4-boronic esters, and pyrazine-2boronic esters. G. Y. Li, M. Song, A. Yang, S. Zheng, X. Qi 87. Process development of WAY-174286. J. Lunetta, G. Cheal 88. Progress toward the stereoselective synthesis of 3,5-disubstituted ⌬2-isoxazolines. M. D. Mosher, A. L. Norman, C. Whitten 89. Proposing a mechanism for the Halogen Dance reaction of bromonitrosulfolene. J. E. Elbert 90. Withdrawn. 91. Simple esterification of protected amino acids using polystyrene bound TBD and microwave heating. R. Lundin, M. Östbye, S. Rana 92. Pyrolysis of lignin model compounds: Oxygen substituent effects in the pyrolysis of phenethyl phenyl ether. A. C. Buchanan III, M. K. Kidder, P. F. Britt, A. Beste

TECH–97

ORGN 93. Local environment effects on the pyrolysis of a tethered, nanoconfined lignin model compound. M. Kidder, A. C. Buchanan III 94. Robust new photolabile protecting group: Highly efficient protection/deprotection without using chemical reagent. P. Wang, Y. Wang, C. Spencer, H. Hu 95. Selective reductions and reductive aminations with ammonia-borane. A. A. Lowe, P. V. Ramachandran, P. Clark 96. Solid-phase-based synthesis and biological evaluation of quinoxaline antibiotics and structural analogs. S. J. Dawson, J. P. Malkinson, M. Searcey, S. Gibbons 97. Solution-state structures of chiral mixed aggregates by Diffusion-Ordered NMR spectroscopy. D. Li, W. Li, P. G. Williard 98. Steric and electronic effects of secondary alcohols on reaction with Martin’s sulfurane. M. A. Weber, J. L. Koviach-Côté 99. Structure of tetramethylethylene iodonium ion. P. Aran Terol 100. Studies directed toward a new method of dihydropyran synthesis. L. McNulty, K. Borin 101. Studies of macrocycle formation leading to synthetic bacteriochlorins. M. Ptaszek, H-J. Kim, J. S. Lindsey 102. Anion-arene vs. anion-metal binding in transition metal bound aromatics. C. Anderson, M. Lewis 103. Study of substituted titanocene complexes as catalysts in alkene hydroamination. K. Cormier, M. Lewis 104. Computational studies toward the prediction of arene-arene binding energies. K. Waggoner, M. Lewis 105. Study of the base-catalyzed condensation reaction of O-phthaldialdehyde with malonic acid. N. K. Machamer, R. R. Hark 106. Sulfonium salt mediated dealkylation processes. J. A. Kundukulam 107. Synthesis and chiral resolution of 3-methylsulfanyl-pyrrolidine-3-carboxylic acid methyl ester. S. B. Boga, A. B. Alhassan, A. B. Cooper, N-Y. Shih 108. Synthesis and utility of chlorinated fluoresceins for labeling of proteins. M. Tian, X-L. Wu, Y-J. Bai, B-Q. Yang, Z. Shi 109. Synthesis of ␤-hydroxy esters from the ozonolysis of vinyl ethers. D. Soulsby 110. Synthesis of ␤-alkynals via the photolysis of substituted anthraquinones. R. L. Blankespoor, P. J. Boldenow, A. G. Lohse, D. M. Rubush 111. Synthesis of ketone from potassium organotrifluoroborates and benzoyl bromide/chloride. M. Al-Masum, H. Dunnenberger 112. Synthesis of diverse heterocycles from boronic acids and cycloaddition processes. N. A. Petasis, W. Huang 113. Synthesis of novel heterocycles via an intramolecular Friedel-Crafts reaction. N. A. Petasis, W. Huang 114. Novel ␣-anilino carboxylic acids and N-heterocycles from organoboron compounds. N. A. Petasis, M. Myslinska, C. T. R. Heffern, G. J. F. Wang 115. Synthesis of organic molecules to be evaluated as cofactors for the cleavage of RNA. J. Boquin, G. Uzcategui, R. R. Kane 116. Synthesis of substituted morpholine derivatives via In(III)-catalyzed ring-closing O-allylation. G. R. Cook, J. Park, R. Hayashi 117. Intermolecular Friedel-Crafts reaction via catalytic halide activation. G. R. Cook, M. Kaneko, R. Hayashi 118. Tert-butylperoxyl radicals are electrontransfer agents in the oxidation of tertiary amines to iminium ions with dirhodium(II) caprolactamate. C. L. Edgley, J. M. Nichols, J. M. Myslinski, M. P. Doyle 119. Diastereoselective addition of organozinc and organomagnesium reagents to 2-(2’pyrimidyl)ferrocenecarbaldehyde. A. Moyano, M. Omedes, R. Rios 120. Three component, highly diastereoselective metal free synthesis of 2,3,4,5 tetrasubstituted pyrrolidines. L. Crovetto, R. Rios 121. TMSSMe/Cs2CO3 as a methylthiolation reagent. Q. Qiao, R. Dominique, R. Goodnow Jr.


98–TECH

TECHNICAL PROGRAM 122. Total synthesis of (+)-gephyrotoxin. H. Shu, M. L. Trudell 123. General strategies for the enantioslective construction of pyrrolidine-based alkaloids: Total synthesis of (+)-cis-pyrrolidine 225H. A. Noble, M. L. Trudell 124. Total synthesis of (S)-anabasine and (S)-noranabasamine. L. Miao, M. L. Trudell 125. Trialkyl phosphites and onium salts as co-initiators in an efficient system for visible-light-induced cationic polymerization. T. W. Nalli, L. G. Stanek, R. H. Steidler, K. L. Weidell, T. T. Steckler, J. W. Wackerly, M. J. Studler 126. Understanding the interactions between dye molecules and cellulose. W. H. Mok, J. M. Goodman, J. Winter 127. Unique and effective base for palladium(0)-catalyzed cross-coupling reaction of bis(pinacolato)diboron with haloarenes. A. Kojima 128. X-ray study of N-triphenylmethylformamide and computational study of triphenylmethylcyclohexane. E. A. Noe, F. R. Fronczek, D. M. Pawar, D. Cain 129. Conformations of thirteen-membered rings. E. A. Noe, F. R. Fronczek, D. M. Pawar, J. Brown II 130. Conformations of transcyclodecene and transcyclodecene oxide. E. A. Noe, D. M. Pawar, G. Gill, F. R. Fronczek, W. McHenry 131. Convenient and scaleable method for the synthesis of N-2 substituted 1,2,3-triazoles. K. B. Sharpless, V. V. Fokin, J. Kalisiak 132. Copper-catalyzed synthesis of high enantiopurity peptidic ketone by peptidic thiol ester and boronic acid cross coupling. H. Yang, H. Li, L. S. Liebeskind 133. Enantiocontrolled N-protected ␣-amino ketone synthesis by thiol ester—␣-(thiocarbamoyl)alkylstannane cross-coupling. H. Li, L. S. Liebeskind 134. Coupling of aryl halides with electron-rich alkynes using ionic liquids. J. L. Kuhler, R. T. Brooks, W. K. Helms, K. D. Holley, P. P. Patel, T. R. Shorter 135. Cyclopropanation reactions using metal conjugates. S. A. Patrawala 136. Cyclopropane fragmentation approaches to the synthesis of piperidines and azepines. M. C. Lawler, A. M. Whitehurst, K. P. C. Minbiole 137. Deprotection of aromatic ethers using solid support acids as reagents. V. A. Guzman 138. Development of a large-scale stereoselective process for novel CETP inhibitors. B. Bechle, M. Castaldi, M. Didiuk, R. Kelley, D. Whritenour, M. R. Makowski, D. A. Perry, T. A. Brandt 139. Direct ␣-alkynylation of unstablized ketone. J. Chen, C. Lee 140. Simple and efficient method for asymmetric ketone ␣-alkylation. D. Lim, D. M. Coltart 141. Direct aldol addition via chemoselective thioester enolate formation. S. Sauer, C. Seraphin, D. M. Coltart 142. Facile and efficient direct aldol addition of ␣-halogenated thioesters via soft enolization. J. M. Yost, D. M. Coltart 143. Direct synthesis of Fmoc-protected amines and amino acids using Fmocprotected iminium ions. T. J. Peelen, A. E. Hartman, C. L. Brophy, J. A. Cupp, D. K. Hodge, K. F. Potter II, A. D. Wier 144. Effect of Zn(II) and its complexes on the kinetics of the hydride transfer reduction of an NAD+ model by isopropanol. D. Endicott, W. E. Kuester, Y. Lu 145. Efficient enzymatic regioselective benzoylation of 5−fluorouridine catalyzed by lipase Novozym 435 in a cosolvent system. J. Wu, M. H. Zong, W-Y. Lou, H. Wu 146. Efficient 1, 4 addition of 1-fluorobis(phenylsulfonyl)methane to alpha, beta unsaturated compounds. G. K. S. Prakash, S. Chacko, H. Vaghoo, G. A. Olah 147. (Aminomethyl)polystyrene-HF complexes: Application as efficient acid catalysts and fluorinating agents. G. K. S. Prakash, K. Glinton, T. Mathew, C. Panja, V. P. Reddy, P. M. Esteves, G. A. Olah 148. Efficient green synthesis of ␣-aminonitriles, precursors of ␣-amino acids. G. K. S. Prakash, T. E. Thomas, I. Bychinskaya, P. Arjun, C. Panja, G. A. Olah

149. Gallium triflate, a versatile green catalyst for various organic synthetic transformations. G. K. S. Prakash, C. Do, C. Panja, T. Mathew, G. A. Olah 150. Efficient synthesis of polycycles with a citran and a cyclol nucleus. E. M. Jung, Y. R. Lee, J. H. Kim 151. Efficient two-step protection of cysteine and its use in the synthesis of N-(p-methoxybenzyl)-4-acetyl-2-oxo-thiazolidine. J. B. deCamp, J. She, N. G. Sharaf, P. S. Watson 152. Electron transfer properties of a series of mixed-valence bishydrazines with increasing bridge length. K. P. Schultz, S. F. Nelsen 153. Energy control in the ring-opening reactions of small rings. E. H. Krenske, K. N. Houk 154. Experimental and DFT studies of the thermal rearrangement of 1,2-dialkynylimidazoles. C. Laroche, S. M. Kerwin 155. Facile formation of pyroglutamic peptides from glutamic acid. P. Angrish, E. Todadze, I. Ghiviriga 156. Facile one-pot reaction for the synthesis of ketones from acid chlorides and organo lithium in the presence of MgI2. H-X. Wei, V. Sun, P. M. Young, C. E. Augelli-Szafran 157. Withdrawn. 158. Gold(I)-catalyzed aromatic Claisen rearrangement: Effects of allyl ether structure on product distribution. J. R. Vyvyan, L. D. Steffens, R. A. Swanson, J. K. Johnson 159. Halocarbene additions to strained cyclic C-C ␲- and ␴-bonds. D. Napolitano, S. Ortiz, K. Suski, M. Khrapunovich, M. Guide, D. C. Merrer 160. Highly effective synthesis of primary sulfonamides. A. A. Greenfield, C. Grosanu 161. Identification of a pharmaceutically acceptable salt of a HMG CoA reductase inhibitor: Development of an API process from bench to plant. M. M. Miller, L. Hobson, S. Harper, V. Rosso, S. Yin, J. Gougoutas, O. Akiti, S. Deshmukh, C. Lai, L. Shen, C. Wei, R. Scaringe, A. Thakur, S. Betigeri, R. L. Parsons Jr. 162. Improved synthesis of phosphoniumsupported carbodiimide reagents and applications. A. B. Charette, M. Ginisty, M-N. Roy 163. Insight into the mechanism of the PictetSpengler reaction for the synthesis of natural products. M. L. Van Linn, F. H. Försterling, J. M. Cook 164. Investigations into the carbohydrate-␲ interaction using model beta hairpins. Z. R. Laughrey, S. E. Kiehna, M. L. Waters 165. Iodobenzene catalyzed iodolactonisation using sodium perborate monohydrate as the end oxidant. H. Liu, C-H. Tan 166. Bicyclic guanidine-catalyzed enantioselective phospha-Michael reactions. X. Fu, C-H. Tan 167. Kinetics of the oxidation of isopropanol by a carbocation via hydride transfer. Y. Lu, F. Qu, B. Moore 168. Mechanism of the primary and secondary amine catalyzed thio-Michael addition reaction with (meth)acrylates. J. W. Chan, H. Zhou, H. Wei, C. Hoyle 169. Mechanistic insight into the ethylbenzene to styrene dehydrogenation reaction. S. L. Weaver 170. Mechanistic study of the oxa-PictetSpengler cyclization in the synthesis of pyranonaphthoquinones. C. N. Eid, J. Shim, J. A. Bikker 171. Metallonitrene/alkyne metathesis cascade reactions for organic synthesis. A. R. Thornton, S. Blakey 172. New reactions for the synthesis of polycyclic indole alkaloids. R. Delgado, S. Blakey 173. Microwave assisted 2,5-diketopiperazine formation from protected dipeptides. R. Lundin, P. Ioannidis 174. Microwave synthesis and characterization of biodiesel from used cooking oil. M. Hauprich, S. Amie, M. R. O’Brien, K. M. McElhoney, A. B. Todaro, K. W. Kittredge 175. Microwave-assisted reduction of carbonyl containing molecules using polymer bound borohydride. B. M. Nezami, K. W. Kittredge

176. Novel dendrimeric blue emitters for organic light-emitting diodes. B. K. Shah, R. M. Adhikari, R. Mondal, D. C. Neckers 177. Novel intramolecular nucleophilic addition reactions: Formation of unusual N-Oheterocyclic enones. A. Ranade, G. I. Georg 178. Avoiding racemization in enaminone construction: A new approach to (+)ipalbidine and (+)-antofine. M. J. Niphakis, B. J. Turunen, H. Ge, X. Wang, G. I. Georg 179. Novel reaction pathways to highly functionalized bis(alkylidene)phthalan derivatives. G. Andrade, K. V. Waynant, J. W. Herndon 180. Nucleophilic activation of sulfur dioxide by halonium ions. T. M. Scupp, B. K. Ohta, T. J. Dudley 181. One-pot trans-dihydroxylation of 2H-pyrans by dimethyldioxirane (DMD). X. Wang, Y. R. Lee 182. Organic iodine(V) compounds as terminal oxidants in phthalocyanine catalyzed oxidations of alcohols. I. M. Geraskin, R. Subbotin, V. N. Nemykin, V. V. Zhdankin 183. Oxidative cyclization reactions: Probing the effect of radical cation polarization on carbon-carbon bond formation. F. Tang, K. D. Moeller 184. (E)-or (Z)-Stereocontrolled approaches to ␤-iodo Morita-Baylis-Hillman esters: Synthesis of secokotomolide A. S. I. Lee, G-S. Hwang, D. H. Ryu 185. 1-Substituted 2,3-naphthalimides: Synthesis and optical properties. D. S. Tyson, J. R. Aschenbener, F. Ilhan, M. A. Meador 186. A mild and efficient protocol for the epoxidation of aldehydes using aryl-substituted sulfur ylides. S. V. Bettigeri, D. C. Forbes 187. A non peptidic reverse turn that promotes parallel sheet structure in cyclopropane gamma-peptides stabilized by C-H--O hydrogen bonds. M. K. Qureshi, C. R. Jones, M. D. Smith 188. Ab initio study on the structural analysis of gaseous histidine, potential energy surface and vibrational analysis. E. Tavasoli, M. Shakorianfard, A. Fattahi 189. Alcohol-assisted phosphine catalysis: One-step synthesis of dihydropyrone from aldehyde and allenoate. G. S. Creech, O. Kwon 190. Application of carbohydrate-derived ketene acetal phosphates toward C-aryl glycal construction. I. W. Vaughn, L. Pedzisa, R. Pongdee 191. Asymmetric photoreactions in a water soluble supramolecular assembly. A. K. Sundaresan, V. Ramamurthy 192. Bismuth nitrate catalyzed-Michael reaction in water and organic solvents. A. Kall, D. Owens, D. Bandyopadhyay, I. Garcia, B. K. Banik 193. Boric acid as an efficient catalyst for the one-pot three-component synthesis of 2-amino nitriles. Y-J. Bai, D-X. Lv, B-Q. Yang, G-F. Zhao, Z. Shi 194. Calculations on organocatalysis: asymmetric reactions of imines. L. Simon, J. Goodman 195. Combinatorial method to synthesize 2-quinoxalinol salen and unsymmetric 2-quinoxalinol salen ligands. X. Wu, A. E. V. Gorden, J. Z. Vilseck 196. Computation of through-space NMR shielding effects of aromatic hydrocarbons. N. H. Martin, B. W. Caldwell, K. P. Carlson, M. R. Teague


ORGN MONDAY MORNING

Section C

Section A


Morial Convention Center La Nouvelle, Blrm. C

Metal-Mediated Reactions and Synthesis

ACS Award for Creative Work in Synthetic Organic Chemistry: Symposium in Honor of Masakatsu Shibasaki

M. C. Kozlowski, Organizer 9:00 197. New catalysis concepts. D. W. C. MacMillan 9:40 198. Asymmetric C-C and C-O bondforming tandem reactions. P. J. Walsh 10:20 199. New chiral catalysts and methods for natural product synthesis. A. H. Hoveyda 11:00 200. Award Address (ACS Award for Creative Work in Synthetic Organic Chemistry, sponsored by Aldrich Chemical Company, Inc). Asymmetric two-center catalysis. M. Shibasaki

Section B Morial Convention Center Rm. R05 Physical Organic Chemistry: Calculations, Mechanisms, Photochemistry and High-Energy Species

G. T. Spyridis, Presiding 8:00 201. A computational approach to increasing the reactivity of four-membered heterocycles. H. D. Banks 8:20 202. A mechanistic challenge: Comparison of the excited and ground state pathways in the Favorskii rearrangement. K. F. Stensrud, R. S. Givens 8:40 203. Chemical vapor sensing and excited state properties of phenylenevinylene derivatized terpyridine molecules. S. Vaidya, R. H. Schmehl 9:00 204. E2 vs. SN2: How to tune the competition. A. P. Bento, P. Jansen, M. Solà, F. M. Bickelhaupt 9:20 205. Effect of phthalocyanine molecule structure on its photoinduced production of singlet oxygen species. M. Drobek, P. Kluson, J. Krysa, A. Kalaji, J. Rakusan 9:40 206. Electropolymerization of 3-aminothiophenes: Mechanistically analogous to alkoxythiophenes, anilines, or something new? C. L. Heth, D. E. Tallman, S. C. Rasmussen 10:00 207. Is the alpha-effect a concerto or a symphony? D. Afzal, K. R. Fountain Jr., J. Li 10:20 208. Mechanistic studies on Et2NLimediated SN2 reactions. L. Gupta, A. Ramirez, D. B. Collum 10:40 209. Nucleophilic substitution at carbon, silicon and phosphorus: How solvation affects the shape of reaction profiles. M. A. van Bochove, F. M. Bickelhaupt 11:00 210. Reactions of isomeric 1,4-dicyclopropyl-1,3-butadienes with 4-methyl-1,2,4triazoline-3,5-dione (MTAD). K. O’Shea, C. Gomez, D. K. Kim 11:20 211. The effect of steric bulk on Pd, PdCl- and Pd(PH3)2 catalyzed C–C bond activation: Perspectives from an extended activation strain model. W-J. van Zeist, J. N. van Stralen, D. P. Geerke, F. M. Bickelhaupt 11:40 212. Interaction of histidine with some biological anions and formation of anionanion clusters. E. Tavasoli, M. Ahmadi, A. Fattahi


N. G. Bhat, Presiding 8:00 213. Alkynes as Stille reaction pseudohalides: Gold-and palladium-cocatalyzed synthesis of tri- and tetra-substituted olefins. Y. Shi, S. M. Peterson, W. W. Haberaecker III, S. A. Blum 8:20 214. Exploring the Michaelis-Becker reaction in ionic liquids. A. P. Vu, L. K. B. Congiardo, E. A. Shaffer, R. Hartsock, W. D. Stegbauer, A. R. Barnum, D. A. Knight 8:40 215. Application of the hetero-PausonKhand reaction to complex molecule synthesis. W. E. Crowe, J. Yang, M. A. Appeaning, A. M. Sauer, S. Lawrence 9:00 216. Cobalt-catalyzed nitrene transfer reactions with arylsulfonyl azides. X. P. Zhang, J. V. Ruppel, R. M. Kamble, J. E. Jones, C. A. Huff 9:20 217. Development of a gold(I)-catalyzed aromatic Claisen rearrangement. J. R. Vyvyan, J. K. Johnson, L. D. Steffens, R. A. Swanson 9:40 218. Gold catalysis: Characterization of reactive gold-intermediates and nucleophilic trapping of gold-carbenoids. N. D. Shapiro, F. D. Toste 10:00 219. One-Pot enyne metathesis Brønsted acid-promoted heterocycle formation. K. P. Kalbarczyk, S. T. Diver 10:20 220. Poly(styrene) resin supported dendronized Co(Salen) catalysts as novel catalytic systems. P. Goyal, X. Zheng, M. Weck 10:40 221. Regio- and stereoselectivity in the reactions of organometallic reagents with gamma, delta-heteroatom substitued alpha, beta-enoates. F. Guo, R. K. Dieter 11:00 222. Regioselective polycouplings of polyhaloheteroaromatics. S. T. Handy 11:20 223. Ruthenium-mediated chemoselective biaryl etherifications: Toward an improved total synthesis of Vancomycin aglycone. A. J. Pearson, P. Neisen Roufs 11:40 224. Tin-free and catalytic radical cyclizations. M. Pulling, D. Smith, J. W. Choi, J. R. Norton


M. Hoke, Presiding 8:00 225. General appproach for creating organocatalytic microcapsules. B. P. Mason, D. T. McQuade 8:20 226. Urea catalysis: Probing hydrogen bonding effects through H/D exchange and infrared spectroscopy. J. L. Steinbacher, D. T. McQuade 8:40 227. Chemical synthesis using microreactor technology. A. Bogdan, D. T. McQuade 9:00 228. Advantages of a continuous flow microreactor over a standard glass apparatus: The synthesis of trans-1,2-cyclohexanediol, cycloheptene, and naphthvalene. A. Kraft, A. Hartung, A. Wiles, M. A. Keane, K. J. McCullough 9:20 229. Automated solution phase synthesis of anthrax and cholera-associated antigenic tetrasaccharides. G. Park, N. L. Pohl 9:40 230. Cyanide-free process for preparing highly soluble anhydrous fluoride salts. H. Sun, B. Wang, S. G. DiMagno 10:00 231. Development of Lanthanide containing bisphosphonates for magnetic resonance imaging. K. R. Bhushan, E. Vinogradov, R. E. Lenkinski, J. Frangioni 10:20 232. Novel synthetic method for facile, convenient, and green selective reduction of carbonyls using sodium borohydride – charcoal. C. Baskar, S. Sambher, V. Shah

10:40 233. Organocatalytic approach on aza-Henry reaction of ketimines catalyzed by guanidine and phosphazene bases. N. K. Pahadi, M. Terada 11:00 234. Simple metal-free intermolecular hydroamination of alkenes and alkynes. J. Moran, A. M. Beauchemin 11:20 235. The use of immobilized crown ethers as in situ protecting groups in organic synthesis. C. Wiles, P. Watts, G. P. Wild 11:40 236. Working toward the total synthesis of liquid crystals using green chemistry principles. M. R. O’Brien, A. B. Todaro, K. W. Kittredge ACS Award for Creative Work in Fluorine Chemistry: Symposium in Honor of Dennis P. Curran Sponsored by FLUO, Cosponsored by ORGN

MONDAY AFTERNOON Section A Morial Convention Center La Nouvelle, Blrm. C Ernest Guenther Award in the Chemistry of Natural Products: Symposium in Honor of David G.I. Kingston

J. Clardy, Organizer 1:45 237. Taxane-based tumor-targeting anticancer agents. I. Ojima 2:30 238. Bioactive natural products from plant-associated microorganisms. A. A. L. Gunatilaka 3:15 239. At last a structure for a 50 year old toxin from a Karlodinium sp. collected at the Plymouth Marine Laboratory: A product of improvements in Cryodual and other NMR techniques. M. T. Hamann, J. Peng, C. Anklin, A. Place 4:00 240. Award Address (Ernest Guenther Award in the Chemistry of Natural Products, sponsored by Givaudan). A natural love of natural products. D. G. I. Kingston

2:00 248. Palladium-catalyzed carbon-hydrogen bond amination with nitroalkenes. T. H. H. Hsieh, V. M. Dong 2:20 249. Pd(II)-catalyzed dioxygenation of unactivated olefins. Y. Li, D. Song, V. M. Dong 2:40 250. Effect of substituents and reaction temperature for the formation and reactivity of vinyl and alkynyl Pt-carbene complexes. E. J. Cho, D. Lee 3:00 251. External control of activity and solubility of Ru-based olefin metathesis catalysts using pH-responsive ligands. H-J. Schanz 3:20 252. Highly active and air-stable palladium catalysts for C-B bond-formations: Preparation of pyridine-2-boronic esters, thiazole-4-boronic esters, and pyrazine-2boronic esters. G. Y. Li, M. Song, A. Yang, S. Zheng, X. Qi 3:40 253. Palladium catalyzed coupling reactions using water-soluble phosphine ligands: DTBPSP and DAPSP and their ability to promote Suzuki-Miryaura, Heck, Sonagashira, and Carbonylation reactions. W. S. Brown, M. Q. Sonnier, M. E. Killian, S. E. McLendon, D. D. Boykin, K. H. Shaughnessy 4:00 254. The use of Pd-phosphinous acid catalysts in cross-coupling reactions. K. Ekoue-kovi, H. Xu, R. Lerebours, C. Wolf 4:20 255. Zinc carbenoid-mediated chain extension reactions: Application to the synthesis of natural products. C. K. Zercher, I. S. Taschner, A. M. Jacobine, K. S. Aiken, W. Lin 4:40 256. Oligomer-modified rigid ␲-conjugated 2,2’,6’,2”-terpyridines: Synthesis, properties and applications. A. Winter, M. Chiper, M. Hager, D. A. M. Egbe, U. S. Schubert

Section D Morial Convention Center Rm. R04 Molecular Recognition and Self Assembly

Section B

L. Estroff, Presiding


1:00 257. Boronic acid-appended bis-viologens as a new family of viologen quenchers for glucose sensing. Z. Sharrett, S. Gamsey, P. Levine, D. Cunningham-Bryant, B. Vilozny, A. Schiller, R. A. Wessling, B. Singaram 1:20 258. Recognition of carbohydrates and nucleotides with an array of boronic acid appended bipyridinium salts. A. Schiller, R. A. Wessling, B. Singaram 1:40 259. Fluorescent saccharide sensing at physiological pH with an ensemble of sulfonated water-soluble perylene-diimide and boronic acid-appended viologen. B. Vilozny, A. Schiller, F. Yao, Z. Sharrett, R. A. Wessling, B. Singaram 2:00 260. Linear and bent halogen-bonded architectures in cocrystals: Design, properties and mechanism of formation via grinding. T. Friscic, D. Cincic, W. Jones 2:20 261. Fluorescent chemosensors of toxic chloroalkanes. J-J. Lee, B. D. Smith 2:40 262. Exploring m-phenylene ethynylene foldamer-based reactive sieving through structural modification. R. A. Smaldone, J. S. Moore 3:00 263. Functional oligomers from aryl1,2,3-triazoles. H. Juwarker, S. Craig 3:20 264. Molecular torsion balances: Evidence for favorable orthogonal dipolar interactions between organic fluorine and amide groups. F. R. Fischer, W. B. Schweizer, F. Diederich 3:40 265. Substitution effects on the pyridine based handles for template-controlled[2+2] photoreactivity in the solid state. S. Dutta, D-K. Bucar, L. R. MacGillivray 4:00 266. Synthesis of modifiable targets using benzothiazoles as formyl synthons in template-directed solid-state synthesis. P. Kaushik, L. R. MacGillivray 4:20 267. Toward the preparation of polydentate ligands for porous coordination grids with large supramolecularly functionalized cavities. P. V. Dau, D-K. Bucar, C. L. Mertzenich, L. R. MacGillivray

ACS Award in Pure Chemistry: Symposium in Honor of Rustem F. Ismagilov Cosponsored by BIOL

R. J. McMahon, Organizer 1:30 241. Questions about questions about the origin of life. G. M. Whitesides, A. Lee, P. J. Bracher 2:20 242. Defining the druggable cysteinome. J. Taunton 3:10 243. Exploring chiral space in asymmetric catalysis. B. L. Feringa 4:00 244. Award Address (ACS Award in Pure Chemistry, sponsored by Alpha Chi Sigma Fraternity and the Alpha Chi Sigma Educational Foundation). Understanding complex reaction networks using chemistry and microfluidics. R. F. Ismagilov

Section C Morial Convention Center Rm. R06 Metal-Mediated Reactions and Synthesis

C. K. Zercher, Presiding 1:00 245. Allylation of carbonyl compounds and in situ formed imines via transient allyl boronates generated by palladium pincer complex catalyzed substitution of allyl alcohols. N. Selander, V. J. Olsson, K. J. Szabo 1:20 246. Palladium pincer complex-catalyzed condensation of sulfonimines and isocyanoacetate to imidazoline derivatives: Dependence of the stereoselectivity on the ligand effects. J. Aydin, K. S. Kumar, K. J. Szabo 1:40 247. Catalytic polyacrylic acid stabilized palladium nanoparticles. M. M. Coulter, J. B. Goh, V. M. Dong

TECH–99

TECHNICAL PROGRAM

ORGN Chemical Evolution from Origins of Life to Modern Society Origins and Evolution Sponsored by CHED, Cosponsored by ENVR, GEOC, and ORGN


S. M. Sieburth, Organizer 8:00–10:00 78, 81, 96, 100, 116, 118, 122, 126, 143, 152, 165, 172, 183, 191. See previous listings. 357, 368, 376, 379, 386, 402, 413, 422, 437, 442, 565, 571, 573, 577, 580-581, 590, 600, 617, 653, 656, 681, 691, 694, 699. See subsequent listings.

TUESDAY MORNING Section A Morial Convention Center La Nouvelle, Blrm. C Elias J. Corey Award for Outstanding Original Contribution in Organic Synthesis by a Young Investigator: Symposium in Honor of F. Dean Toste

B. B. Snider, Organizer 8:30 Introductory Remarks. 8:35 268. Cycloadditions via TMM-PdL2 intermediates new strategies for Total Synthesis and Asymmetric Induction. B. Trost 9:20 269. Annulated cycloheptadienes in natural product synthesis. R. Sarpong 10:05 270. Synthesis of large and small molecules using olefin metathesis catalysts. R. H. Grubbs 10:50 Introduction of Award Winner. 11:00 271. Award Address (Elias J. Corey Award for Outstanding Original Contribution in Organic Synthesis by a Young Investigator, sponsored by The Pfizer Endowment Fund). Gold(I) catalysts for organic synthesis: Development, applications and asymmetric catalysis. F. D. Toste

Section B Morial Convention Center Rm. R05 Biologically Active Molecules Synthesis and Process Chemistry

M. B. Smith, Presiding 8:00 272. Efforts toward the total syntheses of ␤-C-glycoside natural products via oxocarbenium cations. M. P. Jennings 8:20 273. A practical enantioselective synthesis of a potent dual PPAR alpha/ gamma agonist. X. Qian, R. P. Deshpande, E. Tang, J. Fan, K. Zhu, S. Wong, J. Zhu, J. Muslehiddinoglu 8:40 274. Microwave-assisted synthesis of near-infrared sphingosine derivatives for cell labeling. K. R. Bhushan, P. Misra, J. Frangioni 9:00 275. New synthetic sugar-nucleotide donor substrates for glycosyltransferases. M. R. Manzoni, E. Boeggeman, B. Ramakrishnan, M. Pasek, P. K. Qasba 9:20 276. Process development efforts toward a scalable synthesis of a next generation statin. M. M. Miller, L. Hobson, K. Katipally, R. Livingston, J. Spink, K. Yamamoto, O. Akiti, S. Deshmuk, S. Harper, E. Lo, S. Tummala, J. Young, R. L. Parsons Jr. 9:40 277. Synthesis and biological evaluation of triazole-linked glycopeptides. F. P. J. T. Rutjes, B. H. Kuijpers, S. Groothuys, F. L. van Delft


100–TECH

10:00 278. Synthesis and pKa values of stereoelectronically diverse methylenebisphosphonic acids: A nucleotide analog toolkit to probe nucleic acid polymerase structure and function. T. G. Upton, J. Osuna, B. A. Kashemirov, C. E. McKenna, M. F. Goodman, C. A. Sucato, S. H. Wilson, V. K. Batra, L. C. Pedersen, W. A. Beard 10:20 279. Synthesis of ␤-(1→2)-linked mannopyranosides and their analogs. M. Poláková, M. U. Roslund, T. Saloranta, F. Ekholm, K. Nieminen, J. Savolainen, R. Leino 10:40 280. Synthesis of oligosaccharides derived from Burkholderia pseudomallei and mallei: Potential agents for bioterrorism. A. S. Mehta, G-J. Boons 11:00 281. Synthesis of Se-thymidine phosphoramidites and their incorporation into oligonucleotides for structural and functional study of nucleic acid. J. Sheng, J. Salon, J. Jiang, Z. Huang 11:20 282. Synthesis of water soluble N-acyl chitosan derivatives for characterization as antibacterial agents. L. M. Champagne, W. H. Daly 11:40 283. Using Quality by Design to control genotoxic impurities and develop a manufacturing route to Factor Xa inhibitor apixaban. L. T. Rossano, B. M. Mudryk, N. Cuniere, J. Liang, S. Tummala, A. David, P. Sharma, B-S. Yang, J. Sherbine

Section C Morial Convention Center Rm. R06 Heterocycles and Aromatics

M. Kozlowski, Presiding 8:00 284. 1,5-Dimethyl-3-phenyl-6-oxoverdazyl radical as a precursor to an azomethine imine for cycloaddition reactions. M. K. Georges, P. Yang, T. Kasahara, E. K. Y. Chen, G. Hamer 8:20 285. Verdazyl radicals and their reactions with mono and disubstituted olefins. E. K. Y. Chen, T. Kasahara, G. Hamer, M. K. Georges 8:40 286. General method for the stereoselective synthesis of bicyclic 4,5-dihydropyridazinones. B. A. Fiamengo, P. T. Buonora 9:00 287. Withdrawn. 9:20 288. Photoinduced forward and backward electron transfer in donor-acceptor dyads. J. Han, C. Thivierge, K. Burgess 9:40 289. Selectfluor as a nucleofuge in the reactions of azabicyclo[n.2.1]alkane betahalocarbamic acid esters (n = 2,3). K. C. Cannon 10:00 290. Studies toward alpha-arylation and the CN-coupling of aromatics. T. Rantanen, B. Wittel, V. Snieckus 10:20 291. Synthesis of difuran derivatives by photolytic coupling for use as biorenewable monomers. C. Comer, J. L. P. Jessop, G. A. Aurand 10:40 292. Synthesis of mono-NH crossbridged tetraazamacrocycles. M. J. Young, G. R. Weisman, E. H. Wong, C. J. Anderson 11:00 293. Synthesis of substituted furans and furanopyrimidine 2’-deoxyribonucleosides: 5-Endo-dig electrophilic cyclization of alk-3-yn-1-ones at room temperature. R. Dembinski, A. Sniady, M. S. Morreale 11:20 294. Titanium(IV) catalyzed cycloadditions of N-sulfonyl nitrones. K. M. Partridge, T. P. Yoon

Section D Morial Convention Center Rm. R04 Molecular Recognition and Self Assembly

C. A. Maryanoff, Presiding 8:00 295. Bioinspired growth of crystals: Hydrogels and self-assembled monolayers. L. Estroff, E. C. Keene, J. Dorvee, D. T. Tran, V. Ravichandran 8:20 296. Controlling self-assembled monolayers’ pattern by dipolar interactions. W. Tong, M. B. Zimmt 8:40 297. Functionalized supramolecular rectangles: Self-assembly and self-organization. B. H. Northrop, P. J. Stang 9:00 298. High-yielding synthesis of a new cryptand based on dibenzo-30-crown-10 and its complexation with organic dications. A. M-P. Pederson, D. V. Schoonover, H. W. Gibson 9:20 299. Host-guest interactions of cucurbit[7]uril with N-quaternized-4-(psubstituted benzoyl)pyridinium cations and control of the ketone to gem-diol equilibrium. A. Thangavel, A. M. M. Rawashdeh, N. Leventis, C. Sotiriou-Leventis 9:40 300. Properties of deep-cavity cavitands. B. C. Gibb 10:00 301. Supramolecular catalysis: Deprotection of acetals in basic solution by a chiral supramolecular assembly. M. D. Pluth, R. Bergman, K. Raymond 10:20 302. Thermoreversible organogels via self-assembly of propargylic alcohols. K. L. Caran, M. Sabat, L. Pu, A. R. Borges, M. A. Hyacinth, M. Lum, C. M. Dingle 10:40 303. Dynamic assembly of informational oligomers via reversible covalent capture of nucleobases onto peptide backbones. Y. Ura, J. M. Beierle, L. J. Leman, L. E. Orgel, M. R. Ghadiri Chemical Evolution from Origins of Life to Modern Society Chemistry Deciphers Evolution and Probes Nature Sponsored by CHED, Cosponsored by ENVR, GEOC, and ORGN Sugar Alley Symposium Sponsored by CARB, Cosponsored by ORGN

TUESDAY AFTERNOON Section A Morial Convention Center La Nouvelle, Blrm. C Herbert C. Brown Award for Creative Research in Synthetic Methods: Symposium in Honor of Eric N. Jacobsen

K. Burgess, Organizer 1:30 304. Selective transformations of organic compounds mediated by transition metal complexes. R. G. Bergman 2:10 305. Cascade reactions in complex alkaloid synthesis. M. Movassaghi 2:50 306. Progress in transition metal-catalyzed coupling processes. S. L. Buchwald 3:30 307. Asymmetric catalysis with “simple” alpha-amino acids and their peptides. S. J. Miller 4:10 308. Award Address (Herbert C. Brown Award for Creative Research in Synthetic Methods, sponsored by Purdue Borane Research Fund). Seeking general yet selective catalysts. E. N. Jacobsen

Section B Morial Convention Center Rm. R05


Biologically Active Molecules Structure, Mechanism and Biological Activities

R. Aslanian, Presiding 1:00 309. A reevaluation of the mechanism of cis-trans diastereomerization of GFP model chromophores. L. M. Tolbert, J. Dong, F. Abulwerdi, K. M. Solntsev

1:20 310. Effect of para-substitutions on cis-trans diastereomerization of GFP model chromophores. F. Abulwerdi, J. Dong, L. M. Tolbert 1:40 311. Annonaceous acetogenins: Targeting mitochondria for cancer therapy. S. C. Sinha, Z. Chen, F. Valeriote 2:00 312. Development of conveniently functionalizable lipid analogs for investigating protein-lipid binding events. M. Best, M. Smith, D. Gong 2:20 313. Exploring pH-sensitive NEBI linkers for cancer drug delivery applications. A. Luong, S. D. Kong, R. Fong, L. Lin, T. Issarapanichkit, J. Yang 2:40 314. Improved pharmacokinetic properties of a polyethylene glycol-modified prostate-specific membrane antigen small molecules with preserved in vitro bioactivity. P. Misra, K. R. Bhushan, F. Liu, J. Frangioni 3:00 315. Increased activity of dimeric 2-aminoimidazoles against Pseudomonas aeruginosa biofilms. T. E. Ballard, C. Melander 3:20 316. Noninvasive imaging of alphaVbeta6 integrin in fibrosis by multimerization of a nanomolar affinity 99m technetiumlabeled small molecule. P. Misra, K. R. Bhushan, P. Yuri, N. Pannier, W. Maison, D. Schuppan, J. Frangioni 3:40 317. Novel bicyclic amidines as transition state analogs for glycosidases. F. M. Leonik, N. A. Horenstein 4:00 318. Phosphatidyl dihydroceramides, periodontitis and multiple sclerosis. M. B. Smith, A. Onorato, F. Nichols, S. Boucher, J. Pawlow 4:20 319. Regio-controlled nitration of Manzamine A as intermediates for producing Manzamine analogs with better docking scores with GSK-3{beta}. A. E. Wahba, J. Peng, P. Sivaprakasam, S. Odde, R. J. Doerksen, M. T. Hamann


C. J. Welch, Presiding 1:00 320. Generation of a diverse family of 1,2-dihydro-1,2-azaborines. S-Y. Liu, A. Marwitz 1:20 321. Azaborine biomimics: Boron in disguise. S-Y. Liu, E. R. Abbey 1:40 322. A novel rearrangement-based synthesis of naphthalenes. A. C. Glass, S-Y. Liu 2:00 323. Development of a scaleable synthesis of an HIV integrase inhibitor candidate. E. A. Voight, M. S. Bodenstein, N. Ikemoto 2:20 324. Direct synthesis of Artemetin, Chrysosplenol D and novel analogs of Flavopiridol. S. Roy, G. A. Kraus 2:40 325. Efficient and environmentally benign synthesis of thiosemicarbazides using microwave irradiation. M. Shahnawaaz, A. Naqvi, A. V. Rao, G. Saxena, A. Chaudhari, D. S. Seth, N. K. Sharma 3:00 326. First total synthesis and antiMRSA activities of bromomethylthioindoles MC 5-8. H. Suzuki, T. Hamashima, Y. Fujita, Y. Mori, D. Bekh-Ochir, F. Kato, Y. Kamei, H. Okuno 3:20 327. Synthesis of a psiconucleoside analog of Oxetanocin A. A. R. Howell, N. E. Hnatiuk, J. M. Rowley, G. W. Coates 3:40 328. Synthesis of amphiphilic bilirubins. S. K. Dey, D. A. Lightner 4:00 329. Toward the preparation of Chromopyrrolic Acid (CPA) as a probe of RebP enzyme structure and function. K. A. Groom, V. Snieckus, D. Zechel 4:20 330. Unsymmetrically substituted porphyrins for applications in nonlinear optics. M. O. Senge

ORGN Section D Morial Convention Center Rm. R04 Molecular Recognition and Self Assembly

K. D. Shimizu, Presiding 1:00 331. Programmable atropisomeric molecular receptors. K. D. Shimizu 1:20 332. Metallo-peptoids. G. Maayan, K. Kirshenbaum, M. D. Ward 1:40 333. Chiral recognition by a CD-sensitive dimeric porphyrin host: Recent advances in the assignment of absolute configuration. G. Proni, Y. Chen, A. Petrovic, G. Pescitelli, M. Roje, N. D. Berova 2:00 334. Conformational control of nanotube-forming bis-ureas. L. Bouteiller, B. Isare, M. Linares, R. Lazzaroni 2:20 335. Discovery-based materials approach to development of molecularly imprinted polymers. D. A. Spivak 2:40 336. Glycoluril-based fluorinated molecular tweezers: Toward extended pincer units. M. Etzkorn, C. M. Kane, D. T. Nguyen 3:00 337. Ionic liquid: A novel guest for cucurbit[6]uril in neutral water. L. Liu, N. Zhao, O. A. Scherman 3:20 338. Minimal size high-resolution sensor array for multianion detection in water. M. A. Palacios, P. Anzenbacher Jr. 3:40 339. Paclitaxel–functionalized gold nanoparticles. J. D. Gibson, B. P. Khanal, E. R. Zubarev 4:00 340. Peptide amphiphile nanofibers with conjugated polydiacetylene backbones. L. Hsu, S. I. Stupp 4:20 341. Synthesis and characterizations of a glucosamine-based organogelator library. S. Cheuk, G. Wang Chemical Evolution from Origins of Life to Modern Society Evolutionary Ideas and Applications Sponsored by CHED, Cosponsored by ENVR, GEOC, and ORGN Sugar Alley Symposium Sponsored by CARB, Cosponsored by ORGN

TUESDAY EVENING Section A Morial Convention Center Hall A Heterocycles and Aromatics, Molecular Recognition and Self Assembly

S. M. Sieburth, Organizer 8:00–10:00 342. Organocatalytic multicomponent pyrrolidine synthesis. R. Rios, I. Ibrahem, J. Vesely, A. Cordova 343. Preparation and characterization of 4-isopropylphenyl boronic acid. Y. Deng, N. He 344. Toward a new family of nanoscale supramolecular capsules. C. J. Benjamin, C. Gibb, B. C. Gibb 345. Controlled microwave-assisted synthesis of fluoroquinolones. S. Ghassemi 346. N-Heterocyclic carbene ligands for copper(I)-catalyzed azide-alkyne cycloaddition. T. Weide, V. V. Fokin 347. Spiropyrazoline synthesis via intramolecular cyclization/methylation. S. Dadiboyena, A. T. Hamme II 348. Ruthenium-catalyzed cycloaddition of nitrile oxides and alkynes. S. Grecian, V. V. Fokin 349. Solid-state host to investigate anion-␲ interactions. M. Chaidez, M. Lewis 350. Computational and solid-state studies of arene-arene interactions. M. Watt, M. Lewis 351. Solid-state study of cation-arene interactions involving positive quadrupole moment aromatics. P. Disbennett, M. Lewis 352. Stability of thermally cured poly(allylamine)/poly(acrylic acid hydrochloride) thin films. T. Durst, K. W. Kittredge

353. Suzuki-type cross-couplings of substituted 3-pyridyl substrates. J. R. Vyvyan, H. S. Wall, T. J. Ligon, J. A. Meyer 354. Use of conformational constraint to promote 8-endo phenol epoxide cyclizations. J. R. Vyvyan, K. S. Breakey, T. C. McMahon, E. W. Werner 355. Strategies for the synthesis of 1-benzoxocanes via Caryl—O bond formation. J. R. Vyvyan, S. L. Bray 356. Reaction of substituted 2-picolyllithiums with epoxides. J. R. Vyvyan, R. C. Brown, B. P. Woods 357. Supercoiling of self-assembled nanofibers: Tuning secondary nanostructure morphology. W-W. Tsai, M. L. Disabb, S. I. Stupp 358. Synthesis and characterization of selfassembling oligothiophene derivatives. D. A. Stone, S. I. Stupp 359. Withdrawn. 360. Syntheses of cyclopentadienyl annulated imidazol-2-ylidenes. A. J. Arduengo III, O. A. Cojocaru 361. Synthesis and analysis of a new class of hydrogen bonding receptors incorporating phenyl acetylene scaffolds. C. Stimpson, O. B. Berryman, C. A. Johnson II, D. W. Johnson, M. M. Haley 362. Synthesis and binding properties of gated deep-cavity cavitands. S. T. Palermo, S. Kannupal, J. M. Dragna, B. C. Gibb 363. Synthesis and photo-Bergman cyclization of naphthylethynyl arenediynes. H. J. Walker, J. D. Spence 364. Synthesis and properties of aminoazobenzene disperse dyes containing ␤-sulfatoethylsulfonyl group. J. J. Lee, J. P. Kim 365. Synthesis and quartz surface modification of 9,10-di-subsituted-anthracene 18-crown-6 chemosensors for the detection of saxitoxin. R. Farris, H. Mao, R. E. Gawley 366. Synthesis and spectral properties of azohydroxypyridone disperse dyes containing a fluorosulfonyl group. J. Koh 367. Synthesis and study of self-aggregating fullerene (C60) derivatives for use as novel hybrid photovoltaic materials. A. Ayzner, C. Day, M. Halim, R. D. Kennedy, C. Tassone, D. Wanger, S. H. Tolbert, B. J. Schwartz, Y. Rubin 368. Synthesis and supramolecular activity of a monomer containing a crown ether unit. P. A. Bonvallet, E. E. Fortin, R. A. Giles 369. Synthesis of 1,3-disubstituted imidazolium and imidazolinium tetrakisimidazolylborate: Candidates for hydrogen storage materials. A. J. Arduengo III, M. Vasiliu 370. Synthesis of 1,4-dipiperazino benzene scaffolds as ␣-helix mimetic. P. Maity, B. König 371. Synthesis of 1-substituted benzo[c]isoxazol-3(1H)-imines via tandem nitroso-ene/ intramolecular cyclizations of 2-nitrosobenzonitrile. J. L. Jeffrey, S. P. McClintock, M. M. Haley 372. Synthesis of a novel tripyrrindione and its thio analog. S. K. Dey, D. A. Lightner 373. Synthesis of semirubins having phosphonic and sulfonic acid moieties. S. Datta, D. A. Lightner 374. Synthesis of acyl benzothiophenes via clean chemistry C-C bond forming reaction. S. Pal, M. A. Khan, P. Bindu, P. K. Dubey 375. Synthesis of 6-oxypyriporphyrin. A. M. Young, T. D. Lash 376. Synthesis of adj-diazuliporphyrins. Z. Zhang, T. D. Lash 377. Synthesis of porphyrins with fused sixmembered cyclic ethers. B. E. Smith, T. D. Lash 378. Synthesis of benzothiazoles. A. A. Rais, E. R. Biehl 379. Withdrawn. 380. Synthesis of isoquinoline-3-carboxylates and benzocyclobutanes via reaction of 2-substituted acetamido-acrylates with arynes. Y. K. Ramtohul, T. Blackburn 381. Synthesis of novel prodrugs of N,N’bis[4(amidino)phenyl]pentanediamide. N. R. Kode, T. L. Huang 382. Synthesis of recognition components for fluorescent proteomimetics. E. Vesper, M. D. Heagy

383. Synthesis of substituted benzofuran-2carboxylic acid ethyl ester. L. Martinez Troncoso, K. Yamaguchi 384. Synthesis of the bicyclic core of pyrrolizidine and indolizidine alkaloids. H. A. Lindsay, F. Tuluoglu, B. D. Raven 385. Synthetic amphiphiles and related anion receptors: Further study by experimental and computational tools. R. Li, G. W. Gokel 386. Synthetic ligand-gated channels. C. P. Wilson, S. J. Webb 387. Toward the synthesis of new CTV derivatives. A. Panagopoulos, D. Becker 388. Toward self-assembling supramolecular polymer blends. S. Burattini 389. Toward the stabilization of fused tricyclictris(carbenes). A. J. Arduengo III, L. I. Iconaru 390. Tridentate carbene ligand for the synthesis of transition metal complexes and hypervalent compounds. A. J. Arduengo III, G. Gurau, J. W. Runyon 391. Using dynamic combinatorial chemistry to identify and isolate hosts for mutated and natural nucleotides. M. E. Cuellar, M. L. Waters 392. Versatile water-soluble deep-cavity cavitands. S. E. Whisenhunt, B. C. Gibb 393. Synthesis of highly fluorescent GFPchromophore analogs. L. Wu, K. Burgess 394. Water-soluble benzophenoxaziminium dyes: Syntheses and photophysical properties. Y. Ueno, J. Jose, K. Burgess 395. Photoinduced electron transfer in through-bond energy transfer cassettes. C. Thivierge, J. Han, K. Burgess 396. Water-soluble calix[4]resorcinarenes as chiral NMR solvating agents. K. A. Hagan, T. J. Wenzel 397. Carboxymethylated cyclodextrins and their lanthanide complexes as chiral discriminating agents. K. A. Provencher, T. J. Wenzel 398. X-ray crystallographic studies of bonddelocalization in 1,2-dihydro-1,2-azaborines. S-Y. Liu, E. R. Abbey 399. Syntheses of the marine natural products heptachloro- (“Q1”) and heptabromo-1’methyl-1,2’-bipyrrole. L. Fu, G. W. Gribble 400. A facile route to C2 substituted imidazolium ionic liquids. E. G. Ennis, S. T. Handy 401. A QCM sensor for the detection of chemical warfare stimulants. K. J. Wallace, C. R. Clingan 402. Accessing the near-infrared spectral region with stable, wavelength-tunable bacteriochlorins. M. Taniguchi, D. L. Cramer, J. S. Lindsey 403. Application and development of a versatile synthetic methodology for the synthesis of tetrahydroisoquinoline natural products. A. Brown, C. J. Stearman 404. Approaches to organic metals. Z. A. Page, M. A. Khoshnevisan, I. D. Reingold 405. Progress toward the synthesis of 1,5methylenesemibullvalene: The first neutral bishomoaromatic compound. D. Wendekier, I. D. Reingold 406. Atom-economical synthesis of novel oxazobicycles: A new class of photochromic colorants. D-Y. Yang, Y-S. Chen, P-Y. Kuo, J-T. Lai, C-M. Jiang, C-H. Lai, Y-H. Liao, P-T. Cho 407. Bis-urea macrocycles self-assemble in solid state and in solutions. J. Yang, L. S. Shimizu 408. Comparative study of Schiff’s bases synthesis under microwave irradiation and classical heating. N. K. Sharma, A. Naqvi, G. Saxena, A. V. Rao, A. Chaudhari, M. Shahnawaaz, D. S. Seth 409. Computational analysis of the dual reactivity of conjugated hetero-‘ene-eneyne’ systems. S. P. McClintock, L. D. Shirtcliff, R. Herges, M. M. Haley


410. Concisely synthesizing dibenzo[def,p]chrysene and its 13C2-labeled analog, a high potent carcinogen implicated in causation of lung cancer in cigarette smokers. D. Xu, Y. Duan, R. G. Harvey 411. Construction of chiral 4H-imidazolone library. J. Jeong, J. H. Kang, J. Kim, D. J. Choo, J. Y. Lee 412. Controlled release and uptake of guests by a redox-controlled hemicarcerand. A. E. Hayden, R. Helgeson, K. N. Houk 413. Creating interlocked molecules using dynamic covalent chemistry. K. Griffiths, A. E. Hayden, C. R. Yates, S. J. Cantrill, J. F. Stoddart 414. Folding polyrotaxanes using secondary noncovalent bonding interactions. W. Zhang, W. R. Dichtel, A. Stieg, D. Benitez, J. K. Gimzewski, J. R. Heath, J. F. Stoddart 415. Design and synthesis of novel heterocyclic cores for lead-like libraries. G. R. Smith, M. W. Wagaman, A. E. Blize 416. Design, synthesis and evaluation of ditopic polyphenol based hydroxypyridinone extractants for cations. A. S. Gopalan, J. M. Shirley, H. K. Jacobs 417. Electrochemically switchable binding by oxacalixarene hosts. D. Sobransingh, M. B. Dewal, J. Hiller, M. D. Smith, L. Shimizu 418. Enantioselective recognition of chiral atropisomeric N-arylimides. B. N. Bullock, R. Rasberry, K. D. Shimizu 419. Expanding the scope of dynamic combinatorial chemistry: New building blocks for the development of novel receptors. L. A. Ingerman, M. L. Waters 420. Exploration of 1,2-dihydro-1,2-azaborine aromaticity: Crystal structure analysis, transition-metal complexation, and computational methods. S-Y. Liu, A. Marwitz, S. P. McClintock 421. Full characterization, thermal decomposition, and some reactions of 1-(2-adamantyl)-3-(1-adamantyl)aziridin-2-one. I. Lengyel, T. Taldone, T. M. Lyons, V. O. Cesare 422. Highly efficient synthesis of tricyclic amines by a cyclization/cycloaddition cascade: Total syntheses of aspidospermidine, aspidospermine and quebrachamine. I. Coldham, A. J. M. Burrell, N. Oram 423. Mechanism of the inverse electron demand Diels-Alder reaction of 2-aminopyrroles with 1,3,5-triazines: Identification of five intermediates by 1H, 13C, 15N and 19F NMR spectroscopy. M. De Rosa, D. Arnold 424. Microwave assisted and copper(I)-thiophene-2-carboxylate mediated synthesis of azalamellarins. C. J. Bruns, N. Thasana 425. Microwave-assisted greener synthesis of pharmaceutically active heterocycles under benign conditions. V. Polshettiwar, R. S. Varma 426. Mild preparation of substituted indolizines and indoles from simple aromatic precursors using (trimethylsilyl)diazomethane. S. P. Brown, L. Zhu, M. Vimolratana, J. C. Medina 427. Molecular recognition via base pairing. C. M. Lawrence, J. L. Sessler 428. Nanoscale capsular complexes of (potential) antimalarials. S. Liu, H. Sun, B. C. Gibb 429. New heterocyclic dye precursors for hair coloration. E. P. Métais, A. Fadli, L. Vidal, E. Dehaudt, N. Bonaventure, J. Xu, A. Lagrange, J. Gomar, J-M. Ascione, F. Laurent, F. Cottard, J-B. Saunier 430. New methods for the synthesis of functionalized benzobisoxazoles. J. F. Mike, M. Jeffries-El 431. Novel anion fluorescent probe with two 1,8-naphthalimide fluorophores. F. Liu, S. Sun 432. Novel oligoamide foldamers for the disruption of selected protein-protein interactions. F. Campbell, B. Malkova, T. A. Edwards, A. J. Wilson 433. Novel synthesis of the 2-aminoimidazol4-carbaldehyde derivatives: Versatile intermediates for alkaloid synthesis. N. Ando, S. Terashima 434. Oligo(p-benzamide)s compounds as organogelators. H. Seyler, A. F. M. Kilbinger 435. One pot synthesis of novel 2-amino-3cyano-4H-chromenes from salicylaldehydes. R. E. Sammelson, F. Tayyari, K. R. Vonderfecht

TECH–101

TECHNICAL PROGRAM

ORGN 436. Organoboranes as template molecules for molecularly imprinted polymers. N. Nouvel, O. A. Scherman 437. ortho-Lithiation of p-bromoanisole (p-BrA): Development of an aryl synthon. D. W. Slocum, T. Reece, C. B. White, P. E. Whitley 438. Peptoid oligomers outfitted with nucleobase side chains. B. Paul, K. Kirshenbaum 439. Preparation of benzoheterocyclic carbaldehydes. M. T. Wlodarczyk, F. A. Luzzio 440. A fluorescent chemosensor for Fe3+. L. Zhang, X. Peng 441. New BODIPY derivatives as fluorescent probes for singlet oxygen. F. Zhang, X. Peng, J. Fan, S. Sun, T. Zhang 442. Selective fluorescent sensor for cysteine based on rhodamine 6G. H. Li, M. Tian, J. Fan, J. Du, X. Peng 443. Lead ions selective fluorescent probe. M. Tian, X. Peng, J. Fan, S. Sun 444. Pyrene derivative fluorescent probe for proton detection through host-guest chemistry. S. Sun, T. Zhang, J. Fan, X. Peng 445. Molecular two-photon chemosensor for Zn2+ ion. J. Cui, X. Peng, S. Sun, J. Fan 446. Selectivity effect of 1,4-disubstituted azine caused by different group. T. Zhang, S. Sun, J. Fan, X. Peng 447. Reactivity of the heterocyclic ring in naphthalimide derivatives. K. L. Dunkle, K. M. Kopidlansky, L. L. Groess, D. E. Lewis 448. Regioselective double Suzuki couplings of dibromoquinolines. S. T. Handy, A. Piala, D. Mayi 449. Regioselective double Suzuki couplings of dibromothiophenes. S. T. Handy, S. Varallo 450. Regioselective double Suzuki couplings of dihalopyrimidines. S. T. Handy, S. C. Chesak 451. Properties of deep cavity cavitands. H. Gan, B. C. Gibb

WEDNESDAY MORNING Section A Morial Convention Center La Nouvelle, Blrm. C Ralph F. Hirschmann Award in Peptide Chemistry: Symposium in Honor of William F. DeGrado

A. B. Smith, Organizer 9:00 452. Chemical tools for the study of complex biological systems. B. Imperiali 9:40 453. Trapping allosteric transitions in caspases. J. Wells 10:20 454. New reactions for chemoselective peptide ligations. J. Bode 11:00 455. Award Address (Ralph F. Hirschmann Award in Peptide Chemistry, sponsored by Merck Research Laboratories). Design of peptides, foldamers, and small molecules that interact with membranes and membrane proteins. W. DeGrado

Section B Morial Convention Center Rm. R05 Total Synthesis of Complex Molecules

S. M. Sieburth, Presiding 8:00 456. Conformational analogs of Peloruside A. Z. Zhao, R. E. Taylor 8:20 457. Synthesis, conformation, and biological activity of 14-methoxy Epothilone D. J. D. Frein, R. E. Taylor 8:40 458. Progress toward an enantioselective synthesis of (–)-Haouamine A. S. H. Wiedemann, C. Lee 9:00 459. Studies toward the enantioselective total synthesis of Garsubellin A. J. Chen, D. S. Matharu, C. Lee 9:20 460. Studies toward the total synthesis of Erythronolide 〉. B. Chandra, S. G. Nelson 9:40 461. Withdrawn.

102–TECH

10:00 462. Synthesis of Littorachalcone. G. L. Kumar, G. A. Kraus 10:20 463. Synthesis of the northern fragment of TMC-95A. A. Ramanathan, L. S. Jimenez 10:40 464. Synthetic approach to Type B polycyclic polyprenylated acylphloroglucinols (PPAPs): Total synthesis toward Xanthochymol and 7-epi-Clusianone. M. P. S. Jayasekara, R. B. Grossman 11:00 465. Synthetic approaches toward Nagelamides and their congeners. C. J. Lovely, M. Bhandari, S. Rasapalli 11:20 466. The formal synthesis of Pinnatoxin A. C. E. Stivala 11:40 467. Total synthesis of (±)-Frondosin A. T. V. Ovaska, X. Li, J. A. Sullivan, A. E. Keon


A. Palani, Presiding 8:00 468. Synthesis of functionalized quinones utilizing a thermally induced ring expansion and intramolecular amination as key steps. K. D. Fisher, B. C. G. Söderberg 8:20 469. Monoselective addition of organometallic reagents to isoindoline-1,3-dione and interesting transformations of 3-hydroxyisoindolin-1-one products. H. N. Nguyen, K. Romero, P. Olivieri, L. Schenkel, B. Du, V. Cee, B. Hodous, H. Deak, K. Panter, C. Fridrich, K. Modi, J. Larrow, S. Hollis, M. Potter, L. Miller, S. Geuns-Meyer, V. Patel 8:40 470. Accessing a C3V symmetric [6,6] carbon nanotube end-cap via reductive cyclodehydrogenation. A. P. Belanger, L. T. Scott 9:00 471. New bicyclic diaminodihydropyrazolones as dye precursors. E. P. Métais, A. Fadli, L. Vidal, E. Dehaudt, N. Bonaventure, J. Xu, J. Gomar, A. Lagrange, J-M. Ascione, F. Cottard, F. Laurent, J-B. Saunier 9:20 472. New strategies for the synthesis of 1-benzoxocanes. J. R. Vyvyan, S. L. Bray, K. S. Breakey, T. C. McMahon, E. W. Werner 9:40 473. Polycyclic aromatic hydrocarbons and polychlorinated biphenyls in topsoils of Harbin, China. W. Ma, Y. Li, H. Qi, D. Sun, X. Cheng 10:00 474. Solid-phase synthesis of “AB3” type asymmetrically substituted phthalocyanines and their possible applications. S. S. Erdem, I. V. Nesterova, T. J. Jensen, S. A. Soper, R. P. Hammer 10:20 475. Strategies for the synthesis of benzisoxazoles and related heterocycles. M. G. Kociolek 10:40 476. Syntheses and properties of a series of nonaggregated water-soluble silicon phthalocyanines. H. Li, M. G. H. Vicente 11:00 477. Water-soluble benzophenoxazine dyes and its application in syntheses of through bond energy transfer cassettes. J. Jose, Y. Ueno, K. Burgess


A. W. Stamford, Presiding 8:00 478. Ring-opening C-C Bond cleavage of 5,6-dihydro-2-pyrones for the synthesis of homopropargyl alcohols. J. Tummatorn, G. B. Dudley


8:20 479. The Meyer-Schuster rearrangement of propargylic alcohols. S. S. Lopez, D. A. Engel, G. B. Dudley 8:40 480. Supported reagents in microwave– assisted multisteps organic synthesis: Application to the drug synthesis. S. Ghassemi 9:00 481. Application of ionic liquids in the synthesis of coumarin derivatives with anticancer activity. S. V. Malhotra, V. Kumar, S. Tomar, C. Pei, V. S. Parmar 9:20 482. Synthesis of nucleoside-based antiviral drugs in ionic liquids. S. V. Malhotra, V. Kumar, N. Marin, G. Alvez, S. K. Tanielyan, R. L. Augustine 9:40 483. Epoxide based approach for the synthesis of all antipolypropionates: Application to the synthesis of Streptovaricins D and U. J. A. Prieto, W. Torres 10:00 484. New synthetic strategies using silenes. P. G. Steel, M. Czyzewski, N. J. Hughes 10:20 485. Para-siletanylbenzyl (PSB): Development, synthesis, and reactivity of a new arylmethyl protective group. S. F. Tlais 10:40 486. Synthesis of arylglycines via a novel ␣-arylation of Weinreb amides. P. Somfai, S. Hirner, O. Panknin, M. Edefuhr 11:00 487. Trimethylchlorosilane: Prospective condensing agent in reactions of carbonyl compounds. D. M. Volochnyuk, S. Ryabukhin, A. Plaskon, A. Shivanyuk, A. A. Tolmachev 11:20 488. Development of a new method for glycosylation. J. Yang, G. B. Dudley 11:40 489. Synthetic efforts toward the tricyclic core of Roseophilin. J. Yang, S. Katukojvala, G. B. Dudley

WEDNESDAY AFTERNOON Section A Morial Convention Center La Nouvelle, Blrm. C Materials, Devices and Switches

J. Yang, Presiding 1:00 490. A novel redox-responsive, dualmodality MRI/optical imaging probe. C. Tu, R. Nagao, A. Y. Louie 1:20 491. Design and synthesis of fluorescence sensors for nerve agents. L. Cui, T. W. Bell 1:40 492. Design and synthesis of organic chromophores for dye sensitized solar cells—1. D. P. Hagberg, K. M. Karlsson, T. Marinado, L. Sun 2:00 493. Design and synthesis of novel organic chromophores for dye sensitized solar cells—2. K. M. Karlsson, D. P. Hagberg, T. Marinado, L. Sun 2:20 494. Designing nanosensors based on ion channel-forming peptides. S. Blake, R. Capone, M. Mayer, J. Yang 2:40 495. From solutions to surfaces: Exploring the effect of surface confinement on molecular photochemistry and conformational behavior. W. R. Browne, J. Areephong, N. Katsonis, J. Hjelm, B. L. Feringa 3:00 496. Photoswitchable end-capped hexithiophene molecular wires: Electrochemical synthesis and molecular properties. J. Areephong, J. H. Hurenkamp, W. R. Browne, B. L. Feringa 3:20 497. New multifunctional host and emitter materials containing carbazole as the building block for improved charge balance in blue OLEDs. A. B. Padmaperuma, P. K. Koech, H. Cai, J. L. Male, L. S. Sapochak, P. E. Burrows 3:40 498. Perfluoroheterofluorene containing donor-acceptor oligomers. K. Geramita, T. D. Tilley 4:00 499. Solvent dependent optical switching in carbazole-based fluorescent nanoparticles. R. M. Adhikari, B. K. Shah, D. C. Neckers 4:20 500. Synthesis of novel thieno[3,4b]pyrazine-based building blocks as precursors to low band gap conjugated polymers. L. Wen, J. P. Nietfeld, C. M. Amb, S. C. Rasmussen

Section B Morial Convention Center Rm. R05 Total Synthesis of Complex Molecules

M. P. Jennings, Presiding 1:00 501. Efforts toward the formal total synthesis of the marine natural product (-)-Clavosolide A. J. D. Carrick, M. P. Jennings 1:20 502. Efforts toward the total synthesis of Aigialomycin D. N. Bajwa, M. P. Jennings 1:40 503. Toward the enantioselective total synthesis of halichlorine. M. Jessing, D. Tanner 2:00 504. Synthetic approaches to Artemisinin-related natural products, Didesmethylartemisinin and dihydro-epi-Deoxyarteannuin B. D. A. Engel, H. T. C. Lam, J. A. Singletary, K. W. C. Poon, G. B. Dudley 2:20 505. Recent progress in total synthesis of Basiliolide B. M. V. Kozytska, G. B. Dudley 2:40 506. An approach to Pseudopteroxazole. M. Harmata, Z. Cai, Y. Chen 3:00 507. Efforts toward the total synthesis of 4-hydroxydictyolactone. M. J. Walsh, D. R. Williams 3:20 508. Progress toward the total synthesis of Australifungin. J. C. Klein, D. R. Williams 3:40 509. Introducing a new strategy toward the total synthesis of 16,19-cis-murisolin, an acetogenin from Annonaceae. J. Kerschbaumer, S. Helling, G. Haufe 4:00 510. Progress toward the total synthesis of Platensimycin. K. Xi, A. K. Ghosh 4:20 511. Total synthesis of 7-chloro-10methoxycamptothecin: An important synthon for commercially important derivatives of camptothecin. A. Sharma, S. P. Chavan, M. S. Venkatraman

Section C Morial Convention Center Rm. R06 Peptides, Proteins and Amino Acids

R. Cheng, Presiding 1:00 512. Effect of Glu side chain length on intrahelical Glu-Lys interactions. R. P. Cheng, P. Girinath 1:20 513. Conformational analysis of inverse gamma-turn peptidomimetics. M. Kaewpet 1:40 514. In vitro ␤-amyloid aggregation mitigation. C. K. Bett, J. N. Ngunjiri, M. A. Etienne, J. C. Garno, R. P. Hammer 2:00 515. Incorporation of C{alpha}, {alpha}disubstituted amino acids into model {beta}-sheet peptides: Conformational analysis and applications as possible therapeutic agents. M. A. Etienne, C. K. Bett, L. R. Masterson, G. Veglia, D. Morgan, R. P. Hammer 2:20 516. Accelerated synthesis of polyamide dendrimers using allylamine as novel ammonia equivalent. B. S. Balaji, M. R. Lewis 2:40 517. Conformationally homogeneous heterocyclic ␤-turn mimetics as structurally predictable 3-D scaffolds. J. M. Beierle, W. S. Horne, A. Montero, M. R. Ghadiri 3:00 518. New developments in microwave assisted solid phase peptide synthesis. G. S. Vanier 3:20 519. Organocatalytic asymmetric 5-hydroxypyrrolidine synthesis: A highly enantioselective route to 3-substituted proline derivatives. R. Rios, I. Ibrahem, J. Vesely, H. Sunden, A. Cordova 3:40 520. Peptidomimetic oligomers containing beta-peptoid units. C. A. Olsen 4:00 521. Preparation of several homochirally similar unnatural amino acids from a common intermediate. D. S. Masterson


ORGN 4:20 522. What does nature’s photosynthesis teach us on how to make efficient solar cells? Y. Song


B. K. Banik, Presiding 1:00 523. Bismuth nitrate catalyzed-Michael reaction of 3-amino beta lactams in water and organic solvents. F. Morales, I. Garcia, B. K. Banik 1:20 524. Stereocontrolled synthesis toward novel bis beta-lactams. I. Garcia, D. Bandyopadhyay, B. K. Banik 1:40 525. Metal-free click reactions. F. P. J. T. Rutjes, S. S. V. Berkel, T. J. Dirks, J. J. L. M. Cornelissen 2:00 526. Synthesis of 9H-xanthenes by the condensation of arynes with o-hydroxychalcones. C. Lu, R. C. Larock 2:20 527. Synthesis of acridines via annulations of arynes by ortho-amino aryl ketones. D. C. Rogness, R. C. Larock 2:40 528. Alkenyl iminium ion in [4+2] cycloaddition: Synthesis of substituted ⌵−heterocycles. N. R. Sarkar, S. G. Nelson 3:00 529. Development and application of a second generation epoxide-based approach for the synthesis of the lankanolide polypropionate chain. R. R. Rodriguez-Berrios, J. A. Prieto 3:20 530. Intermolecular ene-type reactions of oxazol-5-(4H)-ones using enol ethers. J. S. Fisk, R. A. Mosey, J. J. Tepe 3:40 531. N-heterocyclic carbene and HOAt catalyzed amidation. H. U. Vora, T. Rovis 4:00 532. Novel transformations of bicyclic and tricyclic beta-lactones: Exploiting the dual reactivity of beta-lactones. W. Zhang, D. Romo 4:20 533. Ring-contraction of lactam: New methodology for the synthesis of nitrogen heterocycles. A. Drouin, D. Winter, J. Lessard, C. Spino 4:40 534. A practical, versatile and conceptually new strategy for the synthesis of indoles and related heterocycles. N. A. Petasis, M. Myslinska Sugar Alley Symposium Sponsored by CARB, Cosponsored by ORGN

WEDNESDAY EVENING Section A Morial Convention Center La Louisiane Blrm. C Materials, Devices and Switches, Metal-Mediated Reactions, Asymmetric Reactions, Total Synthesis, Biologically-Related Molecules and Processes

S. M. Sieburth, Organizer 7:00–9:00 535. Cyclic (amino)(phosphino)carbenes: A structural investigation. G. D. Frey, J-B. Bourg, M. Song, M. Soleilhavoup, B. Donnadieu, G. Bertrand 536. Alkali metal in silica gel: A new route to access derivatized diarylphosphines. P. Nandi, J. L. Dye, M. Lefenfeld, J. E. Jackson 537. Alternate synthesis of AG-013958. R. W. Dugger, D. P. Parker


538. Fluorogenic transformations based on formation of C-C bonds catalyzed by palladium: An efficient approach for high throughput optimizations and kinetic studies. R. V. Rozhkov, V. J. Davisson, D. E. Bergstrom 539. Naphthalimide linked onium-salts and their photochemistry and photobiological impact on Saccharomyces cerevisiae. B. W. Curry, D. S. Sandlin, E. H. Stewart, J. P. Giurintano, I. S. Corrao, W. H. Kramer 540. Synthesis of novel naphthalimide based onium-salts and their photochemistry. E. H. Stewart, J. P. Giurintano, B. W. Curry, I. S. Corrao, D. S. Sandlin, W. H. Kramer 541. New dendritic phthalocyanines and naphthalocyanine materials employing SPOS and click chemistry strategies. X. Chen, M. J. Horst, D. V. McGrath 542. Synthesis of 4,9-dimethyldecanoic acid. A. O. Otero-Rodriguez, M. Pagán 543. Synthetic applications of an ethynyl aziridine ring opening reaction. E. Forbeck, M. M. Joullié 544. “Pot-in-pot” reactions: Site-isolation of organometallic catalysts from each other for versatile cascade reactions and catalyst recycling. M. T. Mwangi, M. B. Runge, N. B. Bowden 545. High refractive index polycarbonate as host polymer for electro-optic devices. B. Chen, D. Huang, D. Jin, H. Chen, L. Zheng, A. Barklund, G. Yu, E. Miller, M. Moolayil, B. Li, R. Dinu 546. Peptide isostere formation by zinc carbenoid-mediated chain extension. C. K. Zercher, W. Lin, N. L. Tryder, C. R. Theberge, F. Su, Q. Pu 547. Synthesis and reactivity of osmium (VIII) alkylidene complexes. V. I. Martin, S. Blakey 548. Manganese complexes of macrocyclic polyamines: Potential anti-HIV agents. S. Hamal, T. W. Bell 549. 1-Azatriptycenes via palladium catalyzed reactions. E. R. C. Andaya, T. W. Bell 550. Synthetic studies of a molecular rotor series. H. Kim, T. W. Bell 551. 2-Aminoimidazole small molecules as chemical controls against bacterial biofilms. J. Richards, C. Melander 552. A family of polar crystals: Design and synthesis. L. T. Gray III, S. C. Blackstock 553. Synthesis and application of redox gradient relay molecules. S. C. Blackstock, M. Kelley 554. General design of chemosensors based on fluorescent hybrid molecularly imprinted conjugated polymers. R. Mondal, E. E. Nesterov 555. Synthesis and studies of boronic acid functionalized water-soluble fluorescent poly(p-phenylene ethynylene)s. E. Amuhaya, E. E. Nesterov 556. A pH responsive ratiometric fluorescent chemosensor based on attenuated energy transfer. J. R. Acharya, X. Li, E. E. Nesterov 557. Molecularly ordered conjugated polymer photovoltaics with high light to current efficiency. E. Hwang, K. M. N. de Silva, E. E. Nesterov 558. Amine-stabilized BD3-THF: A new highly efficient deuterium labeling reagent. R. C. Todd, K. V. B. Josyula, M. M. Hossain, P. Gao 559. Approaches to the world’s smallest and tightest knot. E. E. Fenlon, B. Ito 560. Progress toward a polyethylene trefoil knot. D. M. Patterson, E. E. Fenlon, M. S. C. Dietz 561. Arenecarboximides as panchromatic dyes for DSSC. Z. Cao, M. D. Heagy 562. Aryl substituent effects on gold(I)-catalyzed aromatic Claisen rearrangements. J. R. Vyvyan, R. A. Swanson, L. D. Steffens, J. K. Johnson 563. Assembled nanoparticle films with crown ether derivatives as sensors for metal ions. J. Malinowski, L. E. Russell, M. C. Leopold, K. W. Kittredge 564. Asymmetric conjugate addition reactions for small natural product synthesis. R. J. Mullins 565. Asymmetric transfer hydrogenation of ketones: Development of amino acid derived transition metal catalysts. J. Wettergren, A. B. Zaitsev, H. Adolfsson

566. Biomimetic approach to the synthesis of the tricyclic diterpene, sarcoglane. R. A. Sowers, A. J. Reif, E. Casillas 567. Divinylcyclopropane rearrangement approach to minimized analogs of the helminthosporols. C. E. Gulácsy, M. Quigley, T. Sladicka, W. A. Cooper, L. Safi, E. Casillas 568. Carbazole based donor-acceptor compounds: Highly fluorescent organic nanoparticles. S. S. Palayangoda, X. Cai, R. M. Adhikari, D. C. Neckers 569. Blue, green, and red emitting carbazoles: Tuning emission through substitution. R. M. Adhikari, B. K. Shah, D. C. Neckers 570. Preparation of a series of pentacenes by photodecarbonylation. Y. Zhao, R. Mondal, D. C. Neckers 571. Build/couple/pair strategy: From nonchiral molecules to unbiased scaffolds, a methodological approach for the optimization of microwave-assisted intra-molecular Diels-Alder reaction of furans. M. Rodriquez, T. Uchida, A. Provost, S. L. Schreiber 572. Chiral atropisomeric xanthene dyes as chiral fluorescent sensors. K. M. Yehl, C. J. Stephenson, K. D. Shimizu 573. Molecular balance for determining the strength of face to face pi-pi interactions. W. R. Carroll, K. D. Shimizu 574. Cobalt-catalyzed asymmetric cyclopropanation. X. P. Zhang, J. V. Ruppel, Y. Chen 575. Copper-catalyzed arylation of C-H bonds. H. Q. Do, O. Daugulis 576. Cross-linked peptidomimetic films generated by azide-alkyne cycloadditions on a solid copper surface. N. H. Shah, K. Kirshenbaum 577. Cycloaddition reactions of vinylketene iron(0) complexes with chloroalkynes to form highly substituted chlorocatechols. J. Truong, W. F. Schnatter, R. Chowdhury, R. Akhani 578. Cycloruthenated complexes of chiral, bidentate secondary amines: Precatalysts for the asymmetric transfer hydrogenation of aromatic ketones. B. Vue, S. Attar 579. Design and synthesis of statine-containing derivatives. L-J. Gu, B-Q. Yang, F-L. Liu, Y-J. Bai, Z. Shi 580. Development of a new-generation fluorescent probe for detection and imaging of peroxynitrite in cells. T. Peng, D. Yang 581. Development of a rhodium-catalyzed asymmetric intermolecular hydroacylation reaction: From chiral phosphine ligands to phosphoramidites and novel hydroxyproline-based phosphite-phosphoramidites. R. T. Stemmler, D. Reinartz, G. Franciò, W. Leitner, C. Bolm 582. Development of an enantioselective palladium-catalyzed cross-coupling of silylphosphines for the synthesis of P-stereogenic phosphines. V. S. Chan, R. G. Bergman, F. D. Toste 583. Development of new synthetic methodologies and strategies toward the total synthesis of daphnicyclidin alkaloids. D. R. Williams, P. P. Nag 584. Development of versatile lipid analogs for investigating protein-lipid binding interactions. M. Smith, D. Gong, M. Best 585. Diastereoselective synthesis of C1-C9 zincophorin fragment via tandem iodoetherification and radical reduction. F. Godin, I. Katsoulis, P. Mochirian, Y. Guindon 586. Dibal-H reduction of substituted phthalic anhydrides for use as dual fluorescent dyes. N. Stopa, M. D. Heagy 587. Diels-Alder reactions of cyclopentadienones with aryl alkynes to form biaryl compounds. A. J. Pearson, Y. Zhou 588. Direct intramolecular arylation of aryl halides. O. Daugulis, G. B. Bajracharya 589. Extended fused-ring analogs of poly(thieno[3,4-b]pyrazine)s and the effect on polymer band gap. J. P. Nietfeld, C. L. Heth, S. C. Rasmussen 590. Dithieno[3,2-b:2’,3’-d]pyrrole-based oligothiophenes: Structural effects on fluorescence efficiency and models of effective conjugation length. B. T. Erpelding, H. Mo, A. R. Wohl, S. C. Rasmussen 591. The synthesis of polymer precursors for dithieno[3,2-b:2’,3’ d]pyrrole-based poly(arylenevinylene) materials. S. J. Evenson, A. R. Wohl, S. C. Rasmussen

592. Donor substituted verdazyls as the basis for molecular switches. D. J. R. Brook, D. Chambers, V. Chemistruck, B. Haller 593. Enantiopure 1,5-diols from dynamic kinetic asymmetric transformation: Useful synthetic intermediates for the preparation of chiral heterocycles. K. Leijondahl, L. Borén, R. Braun, J. E. Bäckvall 594. Efficient ortho-lithiation of arenes in hydrocarbon media utilizing “deficiency catalysis”. D. W. Slocum, T. Reece, C. B. White, B. M. Sandlin, K. Lalonde, J. Bolton, S. Warnell, S. A. Bragg, P. E. Whitley 595. Electronic properties of oligothiohenes with ring fusion. J. T. Henssler, X. Zhang, A. J. Matzger 596. Enantioselective organocatalytic tandem Michael-aldol reactions. H. Li, J. Wang, L. Zu, H. Xie, W. Jiang, W. Wang 597. Organocatalytic enantioselective cyclopropanations between alpha, beta-unsaturated aldehydes and bromomalonates. H. Xie, H. Li, J. Wang, L. Zu, W. Jiang, W. Wang 598. Enantioselective organocatalytic tandem Michael-aldol reactions: One-pot synthesis of chiral cyclopentenes. J. Wang, H. Li, L. Zu, H. Xie, W. Wang 599. Tandem Michael-aldol reactions promoted by hydrogen-bonding mediated catalysis. L. Zu, J. Wang, H. Li, H. Xie, W. Wang 600. Evaluation of a transition metal catalyzed isomerization-ring closing metathesis route for the synthesis of septanose carbohydrates. N. L. Snyder, J. Greisler, B. Clair, E. LaChance 601. Experimental and theoretical insights on the synthesis and electronic properties of oligothiophene sulfones. T. M. Pappenfus, P. C. Ewbank 602. First facile total synthesis of methylgerambullone. J. T. Moon, C. R. Oh, Y. D. Kim, D. J. Choo, J. Y. Lee 603. Facile synthesis and Hammett correlation of photophysical and electrochemical properties of fluorene derivatives for OLEDs. N. Agarwal, P. K. Nayak, N. Periasamy 604. New carbazole derivatives: Blue emitters and hole transport materials in OLEDs. P. K. Nayak, N. Agarwal, N. Periasamy, K. L. Narasimhan, M. P. Patankar 605. Functionalization studies of antitricyclo[4.2.1.12,5]deca-3,7-diene-9,10dione. M. Etzkorn, M. D. R. Amado-Sierra 606. Further exploration of Sonogashira coupling in the synthesis of modified 2’-deoxynucleoside derivatives. F. N. Ngassa, E. Lindsey 607. High-temperature, spontaneous, cobalt cluster-mediated radical coupling reaction. G. Melikyan, B. L. Mikailian, R. Sepanian 608. Highly enantioselective reduction of pyridyl alkyl ketone O-benzyl oxime ethers catalyzed by spiroborate ester: Application to the synthesis of nicotine analogs. K. Huang, M. Ortiz-Marciales, V. Stepanenko 609. Highly enantioselective synthesis of 1-aryl-tetrahydroisoquinolines via an aryl transfer to 3,4-dihydroisoquinoline N-oxide. S. Wang, M. B. Onaran, C. T. Seto 610. Highly stable radical anions generated by reduction of aromatic diimides in zirconium phosphonate self-assembled films. R. O. Marcon, S. Brochsztain 611. Host-rotaxane as cellular transport agents with an enzymatic switch. J. H. Lunn, D. B. Smithrud 612. Creation and investigation of redox switchable host-rotaxanes. X. Wang, D. B. Smithrud 613. Host-rotaxanes derivatized with benzyl18-crown-6 act as highly selective metal binding agents. J. Zhu, D. B. Smithrud 614. Improved conditions for palladium-catalyzed conversion of diverse aryl bromides to primary anilines. S. Bhagwanth, G. M. Adjabeng, K. R. Hornberger 615. Investigation of organic soluble magnetic nanoparticles. D. Polakova, D. A. Spivak, N. Reed 616. Isomerization as a function of charge transfer and DFT calculations of phenylene-vinylene derivatized terpyridine systems. S. Vaidya, R. H. Schmehl 617. Lewis acid promoted cascade reactions: Cope rearrangements and aromatic ring formation. T. M. Mitzel, K. Frimpong, J. Nyce

TECH–103

ORGN/PETR 618. Organometallic 3-D cage formation via alkyne cyclo-coupling reactions. T. M. Mitzel, K. Spencer 619. Metallo-phosphonate chemistry in ionic liquids. A. P. Vu, L. K. B. Congiardo, E. A. Shaffer, R. Hartsock, W. D. Stegbauer, A. R. Barnum, D. A. Knight 620. Monoselective ortho-C-H functionalization of benzoic acids: A useful strategy for constructing aryl ring with specific substitution patterns. T. Mei, R. Giri, N. Maugel, J-Q. Yu 621. Withdrawn. 622. New chiral Cu(I)-NHC catalyst for asymmetric cyclopropanations. D. Eddings, R. E. Gawley 623. New materials containing phosphoryl donors: Preparation of hybrid nanocomposites. R. A. Stockland Jr. 624. New poly(arylate)/single-walled carbon nanotube composites as high strength structural materials. M. Kim, T. R. Lee 625. New poly(p-phenylenevinylene-alt-dialkylfluorenevinylene) copolymers for organic light-emitting diode (OLED) devices with long lifetimes. S. Saowsupa, T. R. Lee 626. New twist on an old technique: 1H acquired PP spectroscopy (HAPPY). M. H. Shah, A. Majumdar, C. L. Freel Meyers 627. Novel catalytic approach to chiral lactones. Z. Shen, H. Khan, V. M. Dong 628. Novel route to (Z)-1-alkenylboronate esters via (Z)-1-trimethylstannyl-1-alkenes. N. G. Bhat, M. Salinas 629. Highly diastereoselective synthesis of (Z)-1-trimethylgermyl-1-alkenes. N. G. Bhat, M. M. Villarreal 630. Novel route to (Z)-allylsilanes containing trimethylsilylmethyl moiety via organoboranes. N. G. Bhat, J. I. Lopez 631. Novel routes to Lamisil via hydroboration followed by Suzuki coupling. N. G. Bhat, J. D. Gracia 632. One-pot Pd(0) catalyzed isomerizationalkylation of allylic acetates: New route to nitro-aldehydes and ketones. P. M. Khan, K. S. Bisht 633. One-pot catalytic asymmetric cascade synthesis of cycloheptane derivatives. R. Rios, J. Vesely, I. Ibrahem, G-L. Zhao, A. Cordova 634. Organocatalytic alpha selenylation of aldehydes. H. Sunden, R. Rios, A. Cordova 635. Origin of the selectivity in directed ortho alumination of aromatic compounds mediated by TMP-aluminate. H. Naka, J. V. Morey, F. García, H. Kudo, D. Nobuto, Y. Kondo, M. Uchiyama, A. E. H. Wheatley 636. Oxidative arene coupling as a method of synthesizing new building blocks for organic materials. J. S. Alford, C. J. Stearman 637. Palladium catalyzed carbonylation with neopentyl phosphine and water-soluble phosphine ligands to promote activation of aryl halides. W. S. Brown, K. H. Shaughnessy 638. Palladium catalyzed Suzuki cross coupling of a cyclic boronic acid with alkenyl and aryl halides. B. Dodd, L. McNulty 639. Palladium-catalyzed C-H activation of electron-rich heterocycles. A. Lazareva, H. A. Chiong, O. Daugulis 640. Polyisobutylene supported NHC carbene. C. Hongfa, H. S. Bazzi, D. Bergbreiter 641. Preparation and evaluation of novel HDAC inhibitors. G. R. Cook, D. Vaughan, Y. Takahashi, S. Bhor 642. Preparation of CCC-N-heterocyclic carbene (NHC) pincer complexes and catalytic applications to C-C and C-N bond formation. J. Cho, T. R. Helgert, T. K. Hollis 643. Preparation of mesoporous silica supported Pd and Rh nanoparticles and their catalytic reactions in supercritical CO2. S. Park, D. Bae, F. Chang, S-H. Byeon, H. Kim


104–TECH

TECHNICAL PROGRAM 644. Progress toward the total synthesis of auripyrones A and B. R. Salehirad, M. E. Jung 645. Progress toward the total synthesis of N-methylwelwitindolinone C isothiocyanate. D. A. Allen, M. E. Jung 646. Progress toward the total synthesis of brasilicardin A. M. E. Jung, M. G. Lansdown, C. F. Regan 647. Progress toward the total synthesis of mannopeptimycins. K. Williams, X. Nie, S. Cheuk, G. Wang 648. Progress toward the enantiospecific total synthesis of accedinisine and N’-demethylaccedinisine. J. Yang, P. S. Sarma, J. M. Cook 649. Progress toward the total synthesis of the ␣-adrenergic blocking agent dispegatrine, as well as the total synthesis of other monomeric indole alkaloids. C. R. Edwankar, R. V. Edwankar, J. M. Cook 650. Straightforward and efficient Cu-catalyzed cross-coupling reaction of arylvinyl iodides and phenols as well as thiophenols: Facile regioselective synthesis of E-phenoxystyrenes and (E)-1-phenyl-2(arylthio)ethylenes[(E)-phenyl(styryl)sulfanes]. M. S. Kabir, A. P. Monte, J. M. Cook 651. Progress toward the enantiospecific total synthesis of 18-hydroxyaffinisine and voacoline. H. Jain, J. M. Cook 652. Progress toward the total synthesis of the bisindole alkaloid macrospegatrine: Emphasis on the northern hemisphere as well as the total synthesis of other monomeric indole alkaloids. R. V. Edwankar, C. R. Edwankar, J. M. Cook 653. Progress toward cariporide analogs for sodium-proton exchange inhibition. J. Moore, M. Graves II, J. A. Vervynckt, W. Harley, F. Gorin, H. Palandoken 654. Progress toward the synthesis of the C-glycosylnaphthacenequinone antibiotic galtamycin. D. R. LePar, R. Pongdee 655. Protein nanopatterns by oxime bond formation. K. L. Christman, R. M. Broyer, E. Schopf, C. M. Kolodziej, Y. Chen, H. D. Maynard 656. Recent progress in the synthesis of mycobacterial lipoarabinomannans (LAMs) part I: Toward synthesis of PIM2Ac4. S. Ray Chaudhuri, B. Fraser-Reid 657. Recent progress in the synthesis of mycobacterial lipoarabinomannans (LAMs) part II: Capped arabinans. R. V. Changalvala, B. Fraser-Reid 658. Redox-active liposome delivery agents with highly controllable stimuli-responsive behavior: Achieving tunability through molecular design. N. Hollabaugh, W. Ong, R. L. McCarley 659. Regioselective synthesis of 3⬘-O-crotonyl-floxuridine catalyzed by Pseudomonas cepacia lipase. Z. L. Zhao, N. Li, W. Y. Lou, M. H. Zong 660. Ruthenium(II)-catalyzed asymmetric transfer hydrogenation of aromatic ketones using a new planar chiral, diferrocenyl diaminodiphosphine ligand. C. Grove, S. Attar 661. SBA-15 Silica-supported Co(III)-salen catalysts for the hydrolytic kinetic resolution of epoxides. K. Venkatasubbaiah, C. W. Jones 662. Scope and mechanism of the palladium pincer complex catalyzed boronation of allyl alcohols. N. Selander, V. J. Olsson, K. J. Szabo 663. SiliaCat®: Novel silica-supported catalysts. L. Tremblay, V. Pandarus, G. Gingras, A. Michaud, F. Béland 664. Silver-catalyzed rearrangement of propargylic sulfinates to allenic sulfones. M. Harmata, C. Huang


665. Stereoselective, organocatalytic oxyMichael additions: Boronate-amine complexes as chiral hydroxide synthons. J. R. Falck, D. Li, A. Murugan 666. Studies directed toward the synthesis of gabosine derivatives. G. T. Morrisson, K. A. Hoth, J. C. Le 667. Studies toward the synthesis of febrifugine derivatives. X-L. Wang, H. L. Lovett, J. C. Le 668. Studies toward the total synthesis of durhamycin A. R. Pragani, W. R. Roush 669. Studies toward the synthesis and structure elucidation of chamuvarinin. R. R. Vanga, G. J. Florence 670. Substituted 2,3-naphthalic imides as dual fluorophorescent dyes. P. Nandhikonda, M. D. Heagy 671. Synthesis and characterization of a redox- and light-responsive MRI probe. C. Tu, R. Nagao, A. Y. Louie 672. Synthesis and characterization of carbon aerogels. C. H. Renninger, C. M. Whitaker 673. Synthesis and characterization of imidazolium lithium phthalocyanines. J. Kelley, W. A. Feld 674. Synthesis and characterization of sulfonated poly(arylene ether sulfone) copolymers for proton exchange membranes. N. Zhang, H. Liu, X. Wang, J. Li, X. Cheng 675. Synthesis and electro-optical characterization of pi-conjugated oligomers for application in organic photovoltaic devices. B. Fitzhugh, J. C. Slaughter, N. Sathyanarayan, Y. A. Pompeu, K. Eubanks, K. D. Revell 676. Synthesis and optical properties of unsymmetrical conjugated dendrons based on triphenylenes. M. Bagui, S. Chakraborty, Z. Peng 677. Synthesis of 2-amino-5-(␤-D-ribofuranosyl)pyrimidine phosphoramidite. J. Lu, N-S. Li, J. A. Piccirilli 678. Synthesis of 2’-C-b-methyl-2’-deoxyguanosine: Substrate for the mechanism studies of group I ribozyme reaction. N-S. Li, J. Lu, J. A. Piccirilli 679. Synthesis of 4-vinylbenzyl-4’-cyano cinnamate for use in photoresist technology as a liquid crystalline monomer. A. M. DeJulio, J. M. Lucas, P. H. Crehan, M. K. Simons, L. J. Tucker 680. Synthesis of 6,8dioxabicyclo[3.2.1]octanes through a molybdenum-mediated intramolecular 1,5-Michael reaction. B. Cheng, L. S. Liebeskind 681. Synthesis of a novel organo-mercury protein complex and design of a mercury immuno-analytical assay. C. K. Prudenté, S. Cote, R. S. Pilling 682. Synthesis of a novel photochromic conjugated polymer containing dithienylethene. P. Hewavitharanage, R. F. Sharon 683. Synthesis of corydendramine A and a model compound. M. L. McCrea-Hendrick, C. J. Nichols 684. Synthesis of DNA modified internally with a 2’-amide-linked porphyrin. S. M. Reed, S. Sitaula 685. Synthesis of jasmonic acid using the hetero-Pauson Khand reaction. S. Lawrence, W. Crowe 686. Synthesis of modified nucleotides for structural activity and fidelity studies of DNA polymerases. R. Ismail, G. K. S. Prakash 687. Synthesis of N-heteroaromatic compounds as probes of APH(3⬘)-IIIa. A. R. Johnson, E. J. Banner 688. Synthesis of new monoligated palladium N-heterocycle carbene precatalysts and their catalytic activity in cross coupling reactions. H. Palencia, C. Keyes, B. N. Storhoff 689. Synthesis of plakortethers. A. V. Novikov, J. P. John 690. Synthesis of south locked bicyclo[3.1.0]hexane ribonucleosides to study the effect of sugar pucker on RNA cleavage. M. Zhong, C. Liao, A. Melman, K. A. Jacobson, V. E. Marquez 691. Synthetic studies on tedanolide C: Versatile synthesis of the C1–C12 fragment. T. E. Smith, S. J. Fink 692. The cyanation of aryl halides under mild conditions using bulky neopentyl phosphine ligands. L. L. Hill, K. H. Shaughnessy

693. The synthesis of phenylated terephthalates containing phenolic substituents. L. Prophyl, W. A. Feld 694. Theoretical studies on rhodium(I) catalyzed (5+2) cycloadditions. P. Liu, P. H-Y. Cheong, Z-X. Yu, C. Y. Legault, P. A. Wender, K. N. Houk 695. Thiophene appended 1,8-naphthalimides as potential DSSC dyes. C. Castillo, M. D. Heagy 696. Total syntheses of (+)- and (−)-Duryne: Establishment of the central double bond geometry and the absolute configuration of the chiral centers. A. O. Omollo, B. W. Gung 697. Total synthesis and absolute configuration determination of (+)-bruguierol C. D. Martinez Solorio, M. P. Jennings 698. Total synthesis of lucentamycins. R. N. Daniels, C. W. Lindsley 699. Toward a biomimetic synthesis of (+)davanone. K. C. Brown, K. L. Poindexter, P. D. Dossa, D. A. Vosburg 700. Toward the control of the arrangement of semiconductor molecules within cocrystals. A. Sokolov, L. R. MacGillivray 701. Conformational polymorphism in an alpha-substituted thiophene. J. C. Sumrak, A. Sokolov, L. R. MacGillivray 702. Transition-metal-catalyzed C-H bond arylation and alkylation reactions. O. Daugulis, D. Shabashov, J. R. M. Maldonado 703. Two diverse approaches for asymmetric organocatalytic ␤-hydroxylation of ␣,␤unsaturated electrophiles. M. Nielsen, S. Bertelsen, P. Dinér, R. L. Johansen, B. Niess, K. A. Jørgensen 704. Unexpected trends in cobalt clusterdirected, intramolecular radical cyclizations. G. G. Melikyan, C. Wild 705. Unusual cleavage of a C-O bond of THF by LiPPh2 promoted by cyclopalladated complexes. V. A. Stepanova, V. V. Dunina, I. P. Smoliakova 706. Use of a novel [4+2] phosphine catalyzed annulation toward the total synthesis of reserpine. G. A. Barcan, O. Kwon 707. Using the microenvironment of crosslinked polymers to enhance asymmetric reductions of prochiral ketones. J. R. Blanton, D. A. Poston

PETR Division of Petroleum Chemistry Y. Wang and J. D. Allison, Program Chairs SUNDAY MORNING Section A Morial Convention Center Rm. 208 George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Cosponsored by COLL, CATL, and FUEL

P. C. Stair and V. Guliants, Organizers 8:30 Introductory Remarks. 8:40 1. Model studies on bulk vanadia surfaces and on supported vanadia nanoscale systems. H-J. Freund 9:10 2. First principles elucidation of the mechanism for propane activation over supported vanadia and the influence of support and cluster size. M. Neurock, V. Vadhri 9:40 Intermission. 10:10 3. Effects of support composition on the catalytic activity of isolated vanadate species for methanol oxidation to formaldehyde. A. T. Bell 10:40 4. Activation of c-h bonds by solid transition metal oxide catalysts. J. Sauer 11:10 5. In situ studies of hydrocarbon oxidation by bismuth molybdate and vanadyl pyrophosphate catalysts. M. A. Barteau, L. Lopez, D. J. Buttrey

PETR 4:25 18. Combined ATR and Raman analysis of liquid phase heterogeneous catalytic reactions. G. Mul, G. M. Hamminga, J. A. Moulijn

Surface Science of Catalysis Sponsored by COLL, Cosponsored by CATL and PETR

Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

Section B

Section A



C. Song, T. Tatsumi, J. A. Lercher, and X. Guo, Organizers



8:20 Introductory Remarks. 8:25 6. Zeolites with mesopores and mesoporous zeolites. R. Prins, Y. Sun 9:10 7. Synthesis, characterization, and catalytic evaluation of Ge, Al-ZSM-5. A. Ghosh, G. Juttu, S. Mitchell, D. F. Shantz 9:35 8. Synthesis and post-synthetic silylation of MCM-68 (MSE)-type silicate. Y. Kubota, Y. Koyama, T. Ikeda, T. Tatsumi 10:00 Intermission. 10:10 9. Synthesis, acidity and activity of zeolites SSZ-33 and SSZ-35 in transformation of aromatic hydrocarbons. J. Èejka, B. Gil, S. Zones, S-J. Hwang, N. Žilková, M. Bejblová 10:35 10. Molecular insights into nucleation and growth of zeolitic materials. S. Caratzoulas, D. G. Vlachos 11:10 11. Incorporation mechanism of TI species into the framework of MFI type zeolite. T. Yokoi, M. Tamura, W. Chaikittisilp, T. Okubo 11:35 12. Crystallization of magnesiumcontaining aluminophosphate (MgAPO-11) by dry-gel conversion method. S. K. Saha, C. Song Green Chemistry for Sustainable Energy Supply and Conversion Green Reagents and Processes Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV Symposium Honoring Priestley Medal Winner Gabor Somorjai Interfaces: Electronic, Biological, Mechanical Sponsored by COLL, Cosponsored by CATL and PETR

SUNDAY AFTERNOON Section A Morial Convention Center Rm. 208 George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Cosponsored by COLL, CATL, and FUEL

P. C. Stair and V. Guliants, Organizers 1:15 Introductory Remarks. 1:25 13. Mechanistic origins of epoxidation selectivity on silver. R. J. Madix, L. Zhou, X. Liu 1:55 14. Hydrocarbon oxidation reactions and local oxygen bonding on metal surfaces. C. M. Friend, S. H. Wiedemann, X. Deng, R. G. Bergman, D. Pinnaduwage, W. Gao 2:25 15. Measurement of the redox properties of catalytically active mixed oxides of vanadium. P. R. Shah, R. J. Gorte, J. M. Vohs 2:55 Intermission. 3:25 16. Hydrogenation of 1,3-butadiene on Sn/Pt(111) surface alloys. B. E. Koel 3:55 17. Applications of Raman spectroscopy to selective oxidation catalysis. J. F. Brazdil


C. Song, T. Tatsumi, J. A. Lercher, and X. Guo, Organizers 1:20 Introductory Remarks. 1:25 19. Influence of acid strength and adsorption enthalpy on paraffin cracking by solid acid catalysts. J. T. Miller 2:10 20. High-temperature dehydrogenation of zeolite Brønsted acid sites and hydroxyl nests. D. W. Fickel, A. M. Shough, M. J. Nash, D. J. Doren, R. F. Lobo 2:35 21. Site requirements and elementary steps in dimethyl ether carbonylation on acidic zeolites. A. Bhan, P. Cheung, A. Allian, G. Sunley, D. Law, E. Iglesia 3:20 Intermission. 3:30 22. Elementary steps of hydrocarbon reactions in acidic zeolites: Progress with quantum chemical modeling. J. Sauer, C. Tuma, S. Svelle 4:15 23. Restricted electronic transition-state selectivity in acidic zeolite-catalyzed shape-selective catalysis for 2,6-dimethylnaphthalene synthesis. C. Song, V. Dhar, X. Xu, J-P. Shen, X. Ma, K. M. Reddy 4:40 24. Catalytic activity of MFI zeolite with small and uniform intracrystal mesopores. S-S. Kim, T. J. Pinnavaia 5:05 25. Adsorption thermodynamics and kinetics of nickel (II) ions onto Na-ZSM-5 zeolites catalyst. T. Jin

Section C Morial Convention Center Rm. 222 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production by Water Splitting Cosponsored by FUEL, CATL, and ENGENV

V. Subramani, C. Song, S. Katikaneni, and M. Anpo, Organizers 1:00 Introductory Remarks. 1:05 26. Materials issues for photoelectrochemical water splitting. J. A. Turner, T. G. Deutsch 1:50 27. Hydrogen production by molecular photocatalysis. D. G. Nocera 2:15 28. Photochemical molecular devices incorporating reactive metals as supramolecular solar H2 photocatalysts. D. F. Zigler, S. M. Arachchige, J. Brown, K. Rangan, E. Chang 2:40 Intermission. 3:05 29. Nanostructure hybrid architectures as next generation photocatalysts. P. V. Kamat, A. Kongkanand 3:50 30. Effect of morphology in KNb6O17 nanosheets and nanoscrolls on photocatalytic H2 evolution from water. M. Sarahan, E. C. Carroll, N. D. Browning, D. S. Larsen, F. E. Osterloh 4:15 31. Catalytic hydrogen evolution as the nanoparticle sees it. G. Merga, L. C. Cass, D. Meisel Arthur W. Adamson Award for Distinguished Service in the Advancement of Surface Chemistry: Symposium in Honor of Francisco Zaera Sponsored by COLL, Cosponsored by CATL and PETR Green Chemistry for Sustainable Energy Supply and Conversion Green Processing & Clean Fuels Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV Symposium Honoring Priestley Medal Winner Gabor Somorjai

MONDAY MORNING

George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Cosponsored by COLL, CATL, and FUEL

P. C. Stair and V. Guliants, Organizers 8:15 Introductory Remarks. 8:25 32. M1/M2 phases for propane ammoxidation to acrylonitrile: Recent insights into bulk microstructure, the nature of the active surface and reaction pathways. V. V. Guliants 8:55 33. A simple, rational method to prepare bimetallic catalysts. J. R. Regalbuto 9:25 34. Isomerization of n-butane under supercritical conditions over Al-promoted sulfated zirconia. K. Segawa 9:55 Intermission. 10:25 35. The chemical nature of supported vanadium oxide. P. C. Stair, H-S. Kim 10:55 36. Spectroscopic monitoring of a water-phase dehydrochlorination reaction on catalytic palladium-on-gold nanoshell plasmonic substrates. K. N. Heck, B. Janesko, G. E. Scuseria, N. J. Halas, M. S. Wong 11:25 37. Synthesis of cluster-derived supported catalysts. M. D. Amiridis, A. Siani, O. S. Alexeev, B. Captain, R. D. Adams, G. Lafaye, P. Marécot


8:45 46. Electronic band structures and photochemical properties of oxysulfide photocatalysts. A. Ishikawa, K. Domen 9:10 47. Conceptual reflections on hydrogen generation through PEC and its storage. B. Viswanathan 9:55 48. InGaN semiconductors for photoelectrolysis. T. G. Deutsch, J. A. Turner, S. E. Pusede 10:20 Intermission. 10:45 49. Separate evolution of hydrogen and oxygen from water using visible light responsive TiO2 thin film photocatalysts: Enhancement of the efficiency by HF treatment. M. Anpo, M. Mastuoka 11:30 50. Solar energy concentrating reactors for hydrogen production by photoelectrochemical water splitting. N. Kelly, T. Gibson 11:55 51. Supramolecular catalysts for hydrogen production from water. E. D. Cline, S. Bernhard 12:20 52. Hydrogen evolution by novel meso alumina based composite photocatalyst. S. Rayalu, R. Chatti, J. Pande Arthur W. Adamson Award for Distinguished Service in the Advancement of Surface Chemistry: Symposium in Honor of Francisco Zaera Sponsored by COLL, Cosponsored by CATL and PETR Green Chemistry for Sustainable Energy Supply and Conversion Clean Fuels Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV Symposium Honoring Priestley Medal Winner Gabor Somorjai Catalysis and Environmental Surface Science Sponsored by COLL, Cosponsored by CATL and PETR




C. Song, T. Tatsumi, J. A. Lercher, and X. Guo, Organizers

George A. Olah Award in Hydrocarbon or Petroleum Chemistry: Symposium in Honor of Israel E. Wachs Cosponsored by COLL, CATL, and FUEL

8:20 Introductory Remarks. 8:25 38. Methanol conversion using composite catalysts. G. J. Hutchings 9:10 39. NOx Reduction with added oxygenates: Mechanism and the role of NO as a reductant. Y. Yeom, A. Savara, M. Li, W. M. Sachtler, E. Weitz 9:35 40. Hybrid zeolite-supported Pd catalyst with high sulfur tolerance for low-temperature hydrogenation of aromatics in diesel fuels. H. J. Kim, C. Song 10:00 Intermission. 10:10 41. Role of transport processes on the shape selective properties of HZSM-5. S. J. Reitmeier, O. C. Gobin, A. Jentys, J. A. Lercher 10:55 42. A novel core-shell catalyst with spatial-confined effect and shape selectivity for a consecutive reaction. N. Tsubaki, J. Bao, J. He, Y. Zhang, Y. Yoneyama 11:20 43. Reaction of n-octene over nanoscale HZSM-5. H. Long, X. Wang, W. Sun, X. Guo 11:45 44. In situ synthesis of meso-microporous zeolite beta from metakaolin and its application in hydrodesulfurization. G. Wan, A. Duan, Y. Zhang, Z. Zhao, D. Zhang, Z. Gao, G. Jiang

Section C Morial Convention Center Rm. 223 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production by Water Splitting Cosponsored by FUEL, CATL, and ENGENV

V. Subramani, C. Song, and S. Katikaneni, Organizers 8:00 45. Renewable hydrogen: The Hawaii Hydrogen Power Park. R. Rocheleau, M. Ewan, S. Q. Turn

P. C. Stair and V. Guliants, Organizers 1:00 Introductory Remarks. 1:10 53. Award Address (George A. Olah Award in Hydrocarbon or Petroleum Chemistry, sponsored by George A. Olah Endowment Fund). Selective oxidation over bulk mixed metal vanadates and supported vanadium oxide catalysts. I. E. Wachs 2:10 54. A close-up view of catalytic solids in action. B. M. Weckhuysen 2:40 Intermission. 3:10 55. Environmentally friendly synthesis of Wells-Dawson heteropolyacids. S. R. Matkovic, G. M. Valle, L. A. Gambaro, L. E. Briand 3:40 56. Designing a supported metal oxide catalyst for the oxidative dehydrogenation (ODH) of propane. G. Deo 4:10 57. Oxidation catalysis over the nanosupported metal oxide catalysts. J-M. Jehng, T-C. Pan, I. E. Wachs 4:40 58. Combined DFT and operando Raman study on the effect of alkali dopants on the structure and reactivity of vanadium oxide supported on titania. M. A. Banares, A. E. Lewandowska, C. Minot, M. Calatayud 5:10 Concluding Remarks.

Section B Morial Convention Center Rm. 346 Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

C. Song, T. Tatsumi, J. A. Lercher, and X. Guo, Organizers 1:20 Introductory Remarks.

TECH–105

TECHNICAL PROGRAM

PETR 1:25 59. Zeolite catalyzed conversion of biomass derived feedstocks. T. F. Degnan 2:10 60. Dynamics of selectivity of methanol conversion on zeolites,depending on time, temperature and spatial constraints. H. Schulz 2:35 61. TUD-1: A generalized mesoporous catalyst family for industrial applications. A. M. Gaffney 3:20 Intermission. 3:30 62. The alkylation of biphenyl over zeolites: The influences of zeolite structure and alkylating agent on the shape-selective catalysis. Y. Sugi 4:15 63. Shape selectivity on SO3H mesoporous ZSM5. D-S. Han, N. Jiang, S-H. Lee, S-E. Park 4:40 64. Optimization of reaction conditions on methylation of toluene with methanol. Y. Zhao, X. Guo, X. Wang, M. Liu 5:05 65. Alkylation of coking benzene with ethanol over nanoscale HZSM-5 zeolites: Effect of calcination on catalytic stability. L. Sun, X. Guo, M. Liu, X. Wang

Section C Morial Convention Center Rm. 223 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production from Biomass Cosponsored by FUEL, CATL, and ENGENV

V. Subramani, C. Song, and S. Katikaneni, Organizers 1:00 66. Hydrogen generation via catalytic aqueous-phase reforming of biomassbased feedstocks. R. D. Cortright 1:45 67. Hydrogen production of crude glycerin from biodiesel plant via steam reforming process. S. Adhikari, S. Fernando, A. Haryanto 2:10 68. An overview of biomass conversion to hydrogen. Y. Wang 2:55 69. Status of renewable hydrogen production in the United States. G. M. Sverdrup, J. A. Turner, M. K. Mann, P. C. Maness, B. Kroposki, M. L. Ghirardi, R. J. Evans, D. Blake 3:20 Intermission. 3:30 70. Catalytic hydrothermal gasification of biomass for the production of hydrogencontaining feedstock (methane). D. C. Elliott 4:15 71. Algal hydrogen production: In search of a hydrogenase with increased activity. S. M. Plummer, M. A. Plummer, M. Hagen, M. Eberhart Green Chemistry for Sustainable Energy Supply and Conversion Alternative Feedstocks Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV Symposium Honoring Priestley Medal Winner Gabor Somorjai Electronic, Biological, and Mechanical IE,IB,IM Sponsored by COLL, Cosponsored by CATL and PETR

TUESDAY MORNING Section A Morial Convention Center Rm. 208 Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

C. Song, T. Tatsumi, J. A. Lercher, and X. Guo, Organizers 8:20 Introductory Remarks. 8:25 72. Key issues and characterization of benzene-to-phenol and propene-to-acrolein oxidation catalyses by Re/zeolites. Y. Iwasawa 9:10 73. Reaction mechanism of direct phenol synthesis from benzene and molecular oxygen on Re10N2-cluster/ HZSM-5 catalysts. M. Tada 9:45 74. New synthetic methods for propene production using zeolite catalysts. T. Baba, K. Inazu, T. Koyama, A. Matsumoto

106–TECH

10:10 Intermission. 10:20 75. Local structure and photocatalytic reactivity of single-site catalysts prepared within zeolite frameworks for green chemical reaction: Their excited states and reaction mechanisms. M. Anpo, M. Matsuoka 11:05 76. Green synthesis of 2-tert-butylanthraquinone by dehydration of 2-(4’-tertbutylbenzoyl) benzoic acid over Y zeolites. M. Liu, X. Dong, J. Shi, L. Zhai, X. Guo 11:30 77. Length selectivity in epoxidation of ␣-olefins over titanium silicalite-1. H. Jin, N. Jiang, K-M. Choi, S-E. Park 11:55 78. Selective hydrogenation of diolefins on PdNiCe/Al-Si coated structured packing. R. E. Galiasso Tailleur, J. Pagliani Terjo

Section B Morial Convention Center Rm. 209 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production from Fossil Fuels and for Refinery Applications Cosponsored by FUEL, CATL, and ENGENV

V. Subramani, C. Song, and S. Katikaneni, Organizers 8:00 79. The U.S. DOE’s hydrogen-from-coal program. D. Cicero 8:45 80. Green hydrogen via a SkyMine™. M. K. Alsup 9:10 81. Hydrogen from coal-derived syngas: Catalytic synthesis of ethanol as a hydrogen carrier. J. J. Spivey, A. A. Egbebi 9:55 82. Nickel and nickel-cobalt spinel catalysts in the partial oxidation and steam reforming of methane. B. C. Enger, R. Lødeng, A. Holmen 10:20 Intermission. 10:45 83. Large scale manufacture of hydrogen from hydrocarbons. J. R. Rostrup-Nielsen 11:30 84. Refinery hydrogen management. T. Golden 11:55 85. Performances and stability of Pd-alloy thin film/ceramic membranes for H2 separation in natural gas reforming gases. G. Centi, S. Abate, S. Perathoner, C. Genovese, G. Iaquaniello, E. Lollobattista

Section C Morial Convention Center Hall A Poster Session

Y. Wang, Organizer 9:00–11:00 86. Studying industrial water quality by using stability index when nonoxidizing biocides changed to chlorination. E. Bakhshi, F. Abniki, M. Mosalla 87. Synthesis biodiesel from various vegetable oil and determination of biodiesel and triglyceride components. Y-K. Lim, C-H. Jeon, E-S. Yim, S-C. Shin 88. Synthesis, characterization and activity of rhenium oxide supported on mesoporous SBA-15 for 2-butanol dehydration. X. She, J. H. Kwak, J. Hu, Y. Wang, C. H. F. Peden 89. Utilization of ionic liquid in dimerization of norbonadiene. V. L. Nguyen, H. S. Kim, J. S. Lee, H. H. Kim, Z. Alexey 90. Zwitterionic imidazolium compounds bearing an ester group as new membrane materials for separating olefin/paraffin mixtures. H. W. Bae, J. Lee, J. S. Lee, M. Cheong, H. S. Kim


91. Research on aging kinetics of Gudao pavement asphalt. L. Liu 92. Shape-selective Friedel-Craft acylation over sulfonic acid functionalized mesoporous ZSM-5. S-E. Park, D-S. Han, N. Jiang, S-C. Lee, S-H. Lee 93. Steam reforming of ethanol to produce hydrogen over cobalt oxides. C-B. Wang 94. Study on rheology of viscoelastic surfactant fracturing fluid. W. Wu, Z. Zhang 95. Study on the transformation reaction of isobutyl mercaptan over La-Ce-modified HZSM-5 zeolites I: Reaction research of liquid nonsulfocompounds. L. sun, L. Luo, D. guo, D. Xia, R. Lv 96. Polymer-supported zinc tetrahalide catalysts for the coupling reactions of CO2 and epoxides. J. H. Kim, B. R. Lee, H. S. Kim, M. Cheong 97. Powder coatings application by using polyolefines dispersion. F. Abniki, E. Bakhshi 98. Removal mechanism for hydrogen sulfide in LPG by a loaded bicomponent solid base. B. Xu Sr. 99. Removal of sulfones in diesel for the clean fuel production. C. H. Ko, H-J. Jeon, K. B. Yi, J-H. Park, H. Ahn, G. T. Kim, J-N. Kim 100. Gold nanoparticles on metal phosphates as chemical catalysts. Z. Ma, H. Yin, S. H. Overbury, S. Dai 101. Hydrogen-abstracting ability of residuum group fractions during thermal processing. A. Guo, Z. Wang 102. Improving process efficiency of Lipozyme TL IM-catalyzed methanolysis of oil to biodiesel by acyl migration enhancer. Y. Wang, H. Wu, M. H. Zong, W-Y. Lou, Y. Liu 103. Addition of nitroaromatics to improve high-temperature compression performance of rubber matrixes: An explanation. F. L. Klavetter, A. Tse Cheng, S. Lucka, A. Yballe 104. Deep hydrodearomatization effect of n-butylbenzen. B. Gevert, A. D. Margaritz 105. Dimerization of Norbornadiene in the presence of DIBAL. D. M. Nguyen, J. E. Kang, H. S. Kim, M. Cheong, J. S. Lee 106. Fabrication of meso/macroporous Pt/CeO2 and its catalytic performance for. H. Liang 107. Removal of hydrogen sulfide in LPG by a loaded bicomponent solid base. B. Xu 108. Selective adsorption desufurization and characterization of mesoporous Ti-Ce-Al-O adsorbent for sulfur removal from real jet fuel for fuel cell applications. F. Sun, X. Ma, C. Song Partnering for Innovation and Competitiveness: Opportunities for the Chemical Enterprise in Energy and Environment Sponsored by COMSCI, Cosponsored by AIChE Management Division (Group 5), ACS Corporation Associates, BMGT, CHAL, PETR, SCHB, ENGENV, ENVR, PROF, CEPA, and TECH

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 208 Zeolite Catalysis for Green Chemistry in Synthesis of Chemicals and Fuels Cosponsored by CATL, FUEL, COLL, I&EC, and ENGENV

C. Song, T. Tatsumi, J. A. Lercher, and X. Guo, Organizers 1:20 Introductory Remarks. 1:25 109. Direct H2O2 synthesis from H2 and O2 using Pd-SBA-15 and CO2-expanded solvents. G. Centi, S. Abate, K. Barbera, P. Lanzafame, S. Perathoner 2:10 110. Nonoxidative alkane activation in zeolites by Brønsted and Lewis acid sites. C. Sievers, P. Chinthala, F. Schüßler, Y. Zhu, J. A. Lercher 2:35 111. Preparation of novel metallosilicates and their applications in green oxidations. P. Wu, Y. Liu, M. He, T. Tatsumi

3:20 Intermission. 3:30 112. Catalyst preparation for vapor phase Beckmann rearrangement via deboronation/desilication of B-ZSM-5. M. Matsukata, K. Nakagawa, Y. Sekine, E. Kikuchi 4:15 113. Side chain alkylation of toluene on magnesium oxide encapsulated mesoporous zeolites. N. Jiang, D-S. Han, H. Jin, S-E. Park 4:40 114. Zeolites for acylation reactions with carboxylic acid derivatives. M. Bejblová, D. Procházková, J. Vlk, J. Èejka 5:05 115. Microwave-promoted highly efficient reduction of nitroarenes to the corresponding aromatic amines using polymersupported reagents. Q. Shi, R. Lu, L. Lu, X. Hao, D. Zhao

Section B Morial Convention Center Rm. 209 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production for Fuel Cells Cosponsored by FUEL, CATL, and ENGENV

V. Subramani, C. Song, and S. Katikaneni, Organizers 1:00 116. On-site generation of cox-free hydrogen for fuel cell from ammonia decomposition by pasma-catalysis method. L. Wang, C. Liu, Y. Zhao, H. Guo, X. Wang, W. Gong 1:25 117. Catalytic hydrogen production from ethanol over Rh-Pd/CeO2. M. Scott, W. Chiu, M. Blackford, H. Idriss 2:10 118. Density functional theory investigation of ethanol conversion to hydrogen over rhodium, nickel and palladium catalysts. S. A. Wasileski, S. E. Burns, A. P. Goldstein, R. Letterman, D. Lucas 2:35 119. Development of catalysts for ethanol reforming: Influence of Pt addition on the activity of Ni catalysts. R. Navarro, M. C. Sánchez-Sánchez, J. L. G. Fierro 3:20 Intermission. 3:45 120. Hydrogen production from carbonbased resources: An experimental and modeling mechanistic investigation. M. J. Castaldi 4:30 121. Hydrogen production from ethanol steam reforming (ESR) on supported cobalt catalysts: Effect of support and prereduction treatment. S. S-Y. Lin, D. H. Kim, S. Ha 4:55 122. Development of single type copper alumina catalysts for hydrogen production from dimethyl ether. K. Takeishi Green Chemistry for Sustainable Energy Supply and Conversion Novel Catalysis Sponsored by FUEL, Cosponsored by I&EC, PETR, and ENGENV

WEDNESDAY MORNING Section A Morial Convention Center Rm. 208 Roles of Catalysis in Fuel Cells Cosponsored by CATL, FUEL, COLL, and ENGENV

J. G. Chen and U. S. Ozkan, Organizers 8:15 Introductory Remarks. 8:25 123. Fe-based electrocatalysts for oxygen reduction in PEM fuel cells. J-P. Dodelet 9:15 124. First-principles investigations of electrochemistry. J. P. Greeley 9:45 125. Active site investigation of CNx cathode catalysts for use in PEM and Direct Methanol fuel cells. E. J. Biddinger, D. von Deak, U. S. Ozkan


PETR/PHYS 10:15 126. New electrocatalysts based on carbon nanotubes: Enhanced properties and resistance to deactivation by CO by using short length carbon nanotubes. S. Perathoner, G. Centi, M. Gangeri, J. Amadou, D. Begin, C. Pham-Huu, M. Ledoux 10:45 127. Enhancement to the activity of the anode catalyst for the direct formic acid fuel cell via electrochemical modification of palladium black. J. L. Haan, R. I. Masel

Section B

Section B

Section B



Energy Science and Engineering: Methods, Outcome and Future Needs Cosponsored by AIChE Fuels and Petrochemicals Division (Group 16) and ENGENV

Opportunities at the Interface: Refining and Petrochemicals Cosponsored by COLL

R. G. Rodriguez and S. V. Pisupati, Organizers

8:00 128. Novel approach for the employment of internal reforming in a hydrocarbon fuel-based solid oxide fuel cell APU. D. L. King, D. A. King, X. Huang, J. J. Strohm, G. Whyatt 8:45 129. Single stage bimetallic water gas shift conversion catalysts for fuel cell applications. K. Seshan 9:10 Intermission. 9:25 130. Development of pressure swing reforming for hydrogen production onboard a vehicle. R. P. Lucchesi, F. Hershkowitz, R. F. Socha, P. J. Berlowitz 10:10 131. H2S and CO2 removal from biogas, landfill gas and other gas streams. X. Ma, X. Wang, C. Song 10:35 132. Titania nanotube supported gold photoanodes for photoelectrochemical cells. P. H. Aurora, C. H. Kim, L. T. Thompson 11:00 133. Oxidative decomposition of ammonia for COx-free hydrogen production. S. Liu, H. Eguchi, K. Takahashi, K. Uematsu, J. Sato

1:00 140. Thinking outside the classroom box: Integration of research experience in undergraduate education in energy. S. F. Miller 1:20 141. Integration of research and interdisciplinary design projects into energy engineering programs. Y. Yeboah, S. V. Pisupati 1:40 142. Problem-based learning approaches in a design engineering class: Graduate student perspectives. N. Soundarrajan, V. G. Dhar, P. Naredi, V. P. Indrakanti, N. Reed, D. Van Niekerk 2:00 143. Threading natural science and social science education with Pennsylvania coal. S. Eser, J. Mathews, J. C. Bridger 2:20 144. Reaching the masses, web enabled redesign of “Energy and the Environment” general education class. J. Mathews, M. Wherley, E. Spielvogel 2:40 Intermission. 2:50 145. Energy science and engineering education for noncience students. S. V. Pisupati 3:10 146. Chemical vapor reductive deposition method for metallic nanoparticles supported onto titanium dioxide thin film. A. Muramatsu, M. Yoshinaga, K. Yamamoto, N. Sato 3:30 147. Energy integration of crude distillation unit by retrofitting of heat exchanger network. N. Anjami, B. Farhanieh 3:50 148. The sensible heat storage by phase change materials, PCM. F. Abniki, E. Bakhshi, M. Mosalla

WEDNESDAY AFTERNOON

THURSDAY MORNING

Section A

Section A



Morial Convention Center Rm. 209 2nd Symposium on Hydrogen from Renewable Sources and Refinery Applications Hydrogen Production for Fuel Cells Cosponsored by FUEL, CATL, and ENGENV

V. Subramani, C. Song, and S. Katikaneni, Organizers

Roles of Catalysis in Fuel Cells Cosponsored by CATL, FUEL, COLL, and ENGENV

U. S. Ozkan and J. G. Chen, Organizers 1:00 Introductory Remarks. 1:05 134. The use of heteropolyacids in fuel cell catalyst layers. A. M. Herring, R. J. Stanis, J. R. Ferrell III, M. C. Kuo, J. A. Turner 1:35 135. Tungsten monocarbide as alternative electrocatalysts for PEM fuel cells. E. C. Weigert, A. L. Stottlemyer, J. G. Chen 2:05 136. Ruthenium stability study in fuel cell anode catalysts. P. He, K. Wang, S. Ye, C. Chuy 2:35 137. Preferential oxidation of CO in H2 rich streams over supported cobalt catalysts for PEM fuel cells. M. P. Woods, M. M. Yung, U. S. Ozkan 3:05 138. Nonprecious metal catalysts for hydrogen production. P. H. Matter, G. Arkenberg, S. L. Swartz 3:35 139. Synthesis and characterization of PdZn catalyst for steam reforming of methanol. E. J. Peterson, T. R. Conant, S. B. Rathod, H. N. Pham, A. K. Datye


Roles of Catalysis in Fuel Cells Role of Catalysis in Fuel Cells Cosponsored by CATL, FUEL, COLL, and ENGENV

U. S. Ozkan and J. G. Chen, Organizers 8:15 Introductory Remarks. 8:25 149. Development of high performance anodes and cathodes for solid oxide fuel cells. J. M. Vohs 9:15 150. Controlling carbon chemistry on Ni surfaces by alloying: First principles approaches toward carbon-tolerant alloy catalysts and electrocatalysts. E. Nikolla, S. Linic 9:45 151. Surface modification of Ni-YSZ anode catalysts for sulfur tolerance in solid oxide fuel cells. N. Lakshminarayanan, U. S. Ozkan 10:15 152. Methanation of oxygenates for SOFC systems. J. B. Hansen, S. Dahl, J. H. Jacobsen 10:45 153. Electrocatalytic activity and selectivity of La0.75Sr0.25Cr1-xMnxO3-{delta} toward methane oxidation under solid oxide fuel cell anode conditions. M. van den Bossche, S. McIntosh 11:15 154. Carbon formation on SOFC anodes. J. M. Hill, M. Cimenti, V. Alzate-Restrepo 11:45 155. Studying SOFC anode activity with DFT: Suggestions for coke reduction and the effects of hydrogen sulfide adsorption. N. Galea, D. Knapp, E. Kadantsev, M. Shiskin, T. Ziegler

P. R. Robinson, Organizer 8:30 156. Energy efficient design of the cold train of a steam cracker. K. M. Van Geem, G. Marin, J. Grootjans 8:55 157. Study on the effect of reducing conditions of the Ni/Al2O3 catalyst to remove butadiene in fcc c4 fraction. F. Zhang, X. Huang 9:20 158. Study on the calcination conditions of the Ni/Al2O3 catalyst to remove butadiene in fcc c4 fraction. F. Zhang, X. Huang 9:45 159. P-modified HZSM-5 zeolites: Highly effective catalysts for the catalytic cracking of C4-alkanes to produce light olefins. G. Jiang, L. Zhang, Z. Zhao, A. Duan, C. Xu, J. Gao

9:45 4. TDDFT optical absorption spectra of silver tetrahedra. C. M. Aikens, G. C. Schatz 10:05 Intermission. 10:25 5. Interplay between computational chemistry and spectroscopy: Structure of gas-phase cluster ions. J. M. Lisy 11:05 6. Solvent-induced shifts using a combined QM-Effective Fragment Potential approach. M. S. Gordon, P. Arora, F. Zahariev, S. Sok, S. Yoo 11:45 7. Experimental and theoretical evaluation of the photophysical properties of benzophenone derivatives. B. M. Baughman, R. E. Lipner, A. C. Rudawsky, E. Stennett, S. J. Schmidtke

Section B Morial Convention Center Rm. 338/339

THURSDAY AFTERNOON

Nanostructured Materials Nanocrystal Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22) and COLL

Section A

P. Yang and C. B. Murray, Organizers


Y. Xia, Presiding

Chemistry of Petroleum and Emerging Technologies

Y. Wang, Organizer 1:00 160. Development of robust catalysts for hydrocracking and hydrodesulfurization. T. Xiao 1:25 161. Creation of an Aspen RateSep absorber model. R. E. Dugas 1:50 162. Thermal cracking studies by design of a pilot plant. E. Bakhshi, F. Abniki 2:15 163. Recent advances in petroleum analysis by high resolution FT-ICR mass spectrometry. R. P. Rodgers, J. M. Purcell, A. M. McKenna, B. M. Ehrmann, T. M. Schaub, A. G. Marshall 2:40 Intermission. 2:50 164. Oxidation of a hydrotreated LCO to produce low emission diesel fuel. R. E. Galiasso Tailleur, H. Andreas Paulini 3:15 165. Study on the effect of the active ingredient of the Ni/Al2O3 catalyst to remove butadiene in fcc c4 fraction. F. Zhang, X. Huang 3:40 166. The catalytic performance on the iron contaminated FCC catalysts. W. Lin

X. Peng, Organizer, Presiding 8:10 Introductory Remarks. 8:20 8. In situ spectroscopy of monodispersed cobalt nanoparticles during reduction and carbon monoxide hydrogenation. T. Herranz, X. Deng, A. Cabot, A. P. Alivisatos, J. Guo, M. Salmeron 8:40 9. Precise mechanisms of formation and degradation of monolayer protected gold nanoparticles via electrospray ionization mass spectrometry. D. E. Bergeron, J. W. Hudgens 9:00 10. Plasmon linewidths of single silver nanoprisms as a function of particle size and plasmon peak position. K. Munechika, J. M. Smith, Y. Chen, D. S. Ginger Jr. 9:20 11. Shape-controlled synthesis of palladium nanostructures. Y. Xia 10:00 Intermission. 10:20 12. Science and applications of semiconductor nanocrystals in optoelectronics and biology. M. G. Bawendi 11:00 13. Promising catalysts: Monodisperse nanocrystals and their integrated mesoporous nanomaterials. Y. Li 11:40 14. Probing the catalytic activity of nanoparticles at the single-molecule level. P. Chen

Section C

PHYS Division of Physical Chemistry

Morial Convention Center Rm. 343 Physical Chemistry of Atmospheric Processes Gas Phase Photochemistry

L. J. Butler, Program Chair M. J. Elrod and J. Thornton, Organizers SUNDAY MORNING

S. North, Presiding

Section A

8:00 Introductory Remarks. 8:05 15. Hydrocarbon oxidation in the atmosphere: The basic rules and a few exceptions. J. J. Orlando 8:45 16. Nitrogen oxides control OH: New insights into an old paradigm. R. C. Cohen 9:25 17. Near-IR kinetic spectroscopy (IRKS) of the HO2 and C2H5O2 self and cross reactions. A. C. Noell, L. S. Alconcel, D. J. Robichaud, M. Okumura, S. P. Sander 9:45 18. Temperature- and pressure-dependent kinetics studies of gas phase reactions of atomic chlorine with a series of ketones. Z. Zhao, D. Huskey, J. M. Nicovich, M. L. McKee, P. H. Wine 10:05 Intermission. 10:20 19. Photochemistry at night: Dark reactions of photochemically generated species. S. S. Brown, W. P. Dubé, H. D. Osthoff, H. Stark, J. M. Roberts

Morial Convention Center Rm. 342 Computational Spectroscopy Electronic Spectroscopy

H. B. Schlegel, Organizer K. Raghavachari, Organizer, Presiding 8:00 Introductory Remarks. 8:05 1. Formation of cyclic N3: Theoretical studies on the 157 nm photodissociation of ClN3. K. Morokuma, I. Kerkines, Z. Wang 8:45 2. Simple and accurate electronic structure methods for molecular ground and excited states. M. Head-Gordon 9:25 3. Excited electronic states of nucleic acid assemblies. J. M. Herbert

TECH–107

TECHNICAL PROGRAM

PHYS 11:00 20. Kinetics of CH2Br and CH2BrO2 radicals in reactions with NO and O2. A. V. Komissarov, S. P. Sander, R. R. Friedl 11:20 21. Atmospheric chemistry of automotive biofuels: Insights from experiments and theory. T. J. Wallington, M. D. Hurley, M. Kawasaki, T. Yamanaka, W. F. Schneider, L. Xiao, J. Bruce

Section D Morial Convention Center Rm. 344 Optical Probes of Dynamics in Complex Environments Protein Dynamics

A. Tokmakoff, Organizer R. J. Sension, Organizer, Presiding 8:00 Introductory Remarks. 8:10 22. 2-D Optical spectroscopy of photosynthetic light harvesting complexes. G. S. Engel 8:50 23. Femtosecond dynamic-absorption studies of intermolecular vibrational coherence in bacteriochlorophyll and Zn–porphyrin charge-transfer dynamics. W. F. Beck, K. L. Dillman, S. Lampa-Pastirk, K. R. Shelly 9:10 24. Resolving the excited and ground state reaction coordinates in the green fluorescence protein and mutants with dispersed pump-dump probe spectroscopy. D. S. Larsen, J. Pan, M. Vengris, D. Stoner-Ma, P. J. Tonge 9:30 25. Nanoparticle induced light-harvesting membrane protein deformation (LH2) revealed by ultrafast spectroscopic study of the excitonic states. Y-X. Weng 10:10 Intermission. 10:20 26. 2-D Electronic spectroscopy studies of energy transfer. J. P. Ogilvie, M. Jeffrey, K. L. Lewis, P. F. Tekavec 11:00 27. Hidden electronic excited state of enhanced green fluorescent protein (eGFP) by new multiplex two-photon absorption spectroscopy. H. Hosoi, S. Yamaguchi, H. Mizuno, A. Miyawaki, T. Tahara 11:20 28. Computational insights into the mechanism of water splitting in photosystem II. E. M. Sproviero, J. A. Gascon, J. McEvoy, G. W. Brudvig, V. S. Batista

Section E Morial Convention Center Rm. 345 Electronic Structure and Reaction Dynamics of Open-shell Species Reactive Scattering and Energy Transfer

9:45 32. Theoretical studies of the dynamics of X + CH4 (X=O,F,Cl,H) reactions. D. Troya, J. P. Layfield 10:05 Intermission. 10:25 33. Collisional quenching of OH A 2⌺+ radicals by H2: Dynamical signatures of passage through conical intersections. L. P. Dempsey, C. Murray, P. A. Cleary, M. I. Lester 11:05 34. Quantum dynamics of H + O2 ↔ HO + O reactions. H. Guo 11:45 35. Accurate potential energy surfaces involving transition metals: Applications of new correlation consistent basis sets and relativistic pseudopotentials for Sc through Hg. K. A. Peterson, D. Figgen, M. Dolg, H. Stoll

Section F Morial Convention Center Rm. 340/341 Spectroscopy, Chemistry, and Imaging through Nanophotonics Chemical and Biological Imaging and Sensing

S. K. Gray and G. P. Wiederrecht, Organizers A. M. Kelley, Presiding 8:00 Introductory Remarks. 8:05 36. Quasi-3-D plasmonic crystals for biosensing and imaging. J. A. Rogers 8:45 37. Combining surface enzyme chemistry, plasmons and nanoparticles for ultrasensitive bioaffinity measurements. I. Sendroiu, R. M. Corn 9:25 38. Refractive index sensing with plasmonic metamaterials. T. W. Odom 10:05 Intermission. 10:25 39. Metal plasmon-coupled fluorescence: A new paradigm in biological assay. J. Lakowicz 11:05 40. Engineering stable plasmonic nanostructures for SERS applications. M. Roca, A. J. Haes 11:25 41. In vivo imaging of hydrogen peroxide with chemiluminescent nanoparticles. N. Murthy 11:45 42. Optical fiber nanoprobe array for raman local enhancement imaging. V. Guieu, L. Servant, D. Talaga, N. Sojic, F. Lagugné-Labarthet Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Nanomaterials Sponsored by COLL, Cosponsored by PHYS and ENGENV

SUNDAY AFTERNOON J. Zhang and M. Head-Gordon, Organizers S. J. Klippenstein, Presiding 8:00 Introductory Remarks. 8:05 29. Probing dynamical resonances in the F + H2 reaction. X. Yang 8:45 30. Crossed-beams and theoretical studies of hyperthermal reactions of O(3P) with HCl and H2O. T. K. Minton, J. Zhang, A. L. Brunsvold, H. P. Upadhyaya, J. P. Camden, J. T. Paci, S. Garashchuk, G. C. Schatz 9:25 31. Electronic polarization effects in the dynamics of the F/F*+ H2 reaction. M. P. de Miranda, F. J. Aoiz, V. Sáez Rábanos, F. Lique, M. H. Alexander


108–TECH

Section A Morial Convention Center Rm. 342 Computational Spectroscopy Vibrational Spectroscopy

K. Raghavachari, Organizer H. B. Schlegel, Organizer, Presiding 1:20 43. Infrared and computational studies of small carbocations. M. A. Duncan 2:00 44. Hydrocarbon cation structures in the gas phase. P. V. R. Schleyer 2:40 45. Going beyond conventional TDDFT and CIS for predicting UV/Vis properties. J. M. McKelvey, S. Grimme 3:00 46. A new approach to nonlinear response time-dependent density functional theory. F. Zahariev, S. Yoo, S. Sok, M. S. Gordon 3:20 Intermission. 3:40 47. Coupling of theory and experiment to unravel the vibrational spectra of small biomolecules and clusters. K. D. Jordan 4:20 48. Recent advances in the ab initio prediction of vibrational spectra. M. Frisch 5:00 49. Computational vibrational spectroscopy of H2 aggregates: Quantifying the role of three-body interactions. R. J. Hinde

Section B Morial Convention Center Rm. 338/339 Nanostructured Materials Nanocrystal Cosponsored by ACS Division of Physical Chemistry and AIChE (Nanoscale Science Engineering Forum) (Group 22) and COLL

P. Yang, X. Peng, and C. B. Murray, Organizers V. I. Klimov and P. Guyot-Sionnest, Presiding 1:20 50. Colloidal nanocrystals with complex shapes and topologies. A. P. Alivisatos 2:00 51. Energy relaxation in colloidal quantum dots. P. Guyot-Sionnest 2:40 52. Ultra-bright PbSe quantum dot clusters. C. M. Evans, L. Guo, J. J. Peterson, S. Maccagnano, J. Silcox, T. D. Krauss 3:00 Intermission. 3:20 53. New insights on quantum dot solar cells from solid state theory. A. Zunger 4:00 54. Single-exciton optical gain using type-II semiconductor nanocrystals. V. I. Klimov 4:40 55. State-resolved optical pumping and single exciton gain in CdSe quantum dots. P. Kambhampati, R. R. Cooney, S. L. Sewall, D. Sagar 5:00 56. Ultrafast optical studies of electronic relaxation across the interface in CdS/ CdSe/CdS quantum-dot quantum-well heterostructures. W. Qian, A. W. Schill, C. Gaddis, M. A. El-Sayed

Section C Morial Convention Center Rm. 343 Physical Chemistry of Atmospheric Processes Gas Phase Photochemistry

M. J. Elrod and J. Thornton, Organizers J. J. Orlando, Presiding 1:20 57. Measurements of free-radicals in the atmosphere using laser-induced fluorescence spectroscopy. D. E. Heard 2:00 58. Sunlight initiated photochemistry in excited vibrational levels of the ground electronic state of organic acids. V. Vaida 2:40 59. HCO quantum yields in the photolysis of glyoxal, HC(O)C(O)H, from 290 to 420 nm. K. J. Feierabend, J. E. Flad, S. S. Brown, J. B. Burkholder 3:00 Intermission. 3:20 60. Experimental and theoretical investigations of the OH-initiated oxidation of volatile organic compounds. M. Baasandorj, D. Vimal, P. S. Stevens 4:00 61. Combined experimental and theoretical study of Methylglyoxal + OH: Atmospheric implications. D. R. Glowacki, M. T. Baeza-Romero, M. A. Blitz, D. E. Heard, P. W. Seakins, M. J. Pilling 4:20 62. Photolytic launching of selective reactive pathways: Isomeric specific studies of biogenic hydrocarbon oxidation. S. North 4:40 63. Cyclization of 1,4 hydroxycarbonyls from isoprene and alkanes. T. S. Dibble 5:00 64. Kinetics of ion-molecule reactions with O2(a 1⌬g). A. Midey Jr., I. Dotan, A. A. Viggiano

Section D Morial Convention Center Rm. 344 Optical Probes of Dynamics in Complex Environments Novel Methods

A. Tokmakoff and R. J. Sension, Organizers

2:00 66. Interpretation of data for single molecules out of equilibrium. A. R. Dinner 2:40 67. Single-molecule study of interfacial electron transfer between Rhodamine B molecule and semiconductor nanoparticles. S. Jin, A. Issac, T. Lian 3:00 Intermission. 3:20 68. Single molecule absorption spectroscopy on surfaces. M. Gruebele 4:00 69. Broad-band spectral interferometry for ultrasensitive heterodyne-detected sum frequency generation spectroscopy. A. V. Benderskii 4:20 70. Probing interfacial dynamics with higher-order spectroscopies. J. Fourkas, R. A. Walker 4:40 71. Infrared pump-probe experiments on hydrogen-bonded complex in solution. K. Tominaga

Section E Morial Convention Center Rm. 345 Electronic Structure and Reaction Dynamics of Open-shell Species Spectroscopy and Potential Energy Surfaces of Open-Shell Species

J. Zhang and M. Head-Gordon, Organizers W. D. Allen, Presiding 1:20 72. Spectroscopy and reaction dynamics of open-shell species: A quantum state resolved perspective. D. J. Nesbitt, F. Dong, M. Roberts, A. Zolot, M. Ziemkiewicz 2:00 73. Spectroscopy with strong vibronic interactions: The model Hamiltonian approach. J. F. Stanton, M. Okumura 2:40 74. Taming of a beast: Multimode nonadiabatic excited state dynamics in NO3. W. Eisfeld 3:00 75. Cold molecule studies of OH, NH, and metastable CO. G. C. Groenenboom 3:20 Intermission. 3:40 76. Probing the dynamics and lifetime of the HOCO free radical by photoelectron-photofragment coincidence spectroscopy. R. E. Continetti 4:20 77. Electron-driven acid-base chemistry: Proton transfer from hydrogen chloride to ammonia studied by anion photoelectron spectroscopy and ab initio theory. M. S. J. Gutowski, S. Eustis, D. Radisic, K. H. Bowen, R. Bachorz, M. Haranczyk, G. K. Schenter 4:40 78. Anionic species as electron transfer induced reaction precursors. R. Mabbs, M. van Duzor, F. Mbaiwa 5:00 79. Halogen atoms in cryogenic solid parahydrogen. D. T. Anderson

Section F Morial Convention Center Rm. 340/341 Spectroscopy, Chemistry, and Imaging through Nanophotonics Chemical and Biological Imaging and Sensing

S. K. Gray and G. P. Wiederrecht, Organizers S. W. Bishnoi, Presiding 1:20 80. Plasmonic field imaging and coupling in biological and biomedical systems. M. A. El-Sayed, P. Jain, X. Huang 2:00 81. Plasmon enhanced spectroscopies provide multiple modalities and new approaches for biomolecules. J. Kundu, O. Neumann, C. S. Levin, D. Zhang, A. Barhoumi, J. D. Hartgerink, N. J. Halas 2:40 82. Molecular spectroscopic view of surface plasmon enhanced resonance Raman scattering. A. M. Kelley

G. S. Engel, Presiding 1:20 65. 3-D Focus-tracking spectroscopy: Concept and application. H. Yang


PHYS 3:00 83. Correlating structure and spectroscopy in single-molecule and single-nanoparticle surface enhanced Raman scattering. J. P. Camden, J. A. Dieringer, Y. M. Wang, L. D. Marks, G. C. Schatz, R. P. Van Duyne 3:20 Intermission. 3:40 84. Multifunctional sensors based on subwavelength optical fibers. D. J. Sirbuly, N. Fischer, T. Ratto, J. Tok, A. Noy 4:00 85. Surface-enhanced resonance Raman excitation spectroscopy of tris(2,2’-bipyridine)-ruthenium(II) on noble metal surfaces. J. Zhao, J. A. Dieringer, X. Zhang, G. C. Schatz, R. P. Van Duyne 4:20 86. Self assembly of colloidal silver monolayers: A platform for biochemical sensing. J. L. Davis, R. Shankar, T. P. Bigioni 4:40 87. Tip-enhanced Raman spectroscopy for crystallographic imaging of nanostructures. S. Berweger, C. C. Neacsu, M. B. Raschke 5:00 88. Nanomicro interface to read signals from molecular devices. J. M. Seminario, N. L. Rangel Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Nanomaterials Sponsored by COLL, Cosponsored by PHYS and ENGENV

MONDAY MORNING Section A Morial Convention Center Rm. 342 Computational Spectroscopy Session Honoring Bartlett

H. B. Schlegel, Organizer K. Raghavachari, Organizer, Presiding 8:00 89. Contemporary computational spectroscopy. H. F. Schaefer III 8:40 90. Perturbative treatment of relativistic effects within coupled-cluster theory. C. Michauk, K. Franzmann, S. Stopkovicz, D. P. O’Neill, J. Gauss 9:20 91. New theoretical methods to study gas phase electron spin resonance (ESR) spectra of triplet states. A. Perera 9:40 92. Improving CCSD(T) bond breaking: ⌳CCSD(T). A. G. Taube, R. J. Bartlett 10:00 Intermission. 10:20 93. Equation-of-motion coupled cluster theory and a complicated molecule. J. F. Stanton 11:00 94. Local correlation and chiroptical response. T. D. Crawford 11:40 95. Nonlinear optical spectroscopy of conjugated molecules using coupledcluster theory. J. R. Hammond, K. Kowalski

Section B Morial Convention Center Rm. 338/339 Nanostructured Materials Nanocrystal Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22) and COLL

P. Yang, X. Peng, and C. B. Murray, Organizers U. Banin and B. Grzybowski, Presiding 8:20 96. Effect of chain length on solubility of mechanochemically functionalized Si nanoparticles. A. S. Heintz, M. J. Fink, B. S. Mitchell 8:40 97. Optically induced dynamic magnetism in superparamagnetic nanocrystals. D. H. Son 9:00 98. Supercrystalline colloidal particles from artificial atoms. Y. C. Cao, J. Zhuang, H. Wu, Y. Yang 9:20 99. Hybrid metal-semiconductor nanoparticles: A new type of functional materials. U. Banin, R. Costi, E. Elmalem, A. Salant

10:00 Intermission. 10:20 100. Effect of electric field on the photoluminescence intensity of single CdSe nanocrystals. S-J. Park, S. Link, W. L. Miller, J. C. Bolinger, P. F. Barbara 11:00 101. Self-assembly of nanostructured materials. B. Grzybowski 11:40 102. Synthesis and biomedical applications of uniform-sized nanoparticles. T. Hyeon, J. Kim, H. B. Na, K. An, T. Yu, S. G. Kwon, J. E. Lee, Y. I. Park, N. Lee

Section C

11:40 117. Signatures of anomalous bath dynamics in 2-D correlation spectra. T. L. C. Jansen, M. Pshenichnikov, D. Cringus

Section E Morial Convention Center Rm. 345 Electronic Structure and Reaction Dynamics of Open-shell Species Electronic Structure of Radicals


J. Zhang and M. Head-Gordon, Organizers

Physical Chemistry of Atmospheric Processes Gas Phase Photochemistry

J. M. Herbert, Presiding

M. J. Elrod and J. Thornton, Organizers P. S. Stevens, Presiding 8:40 103. Ozone, carbon dioxide, and unusual kinetic isotope effects: From single collisions to the global atmosphere. K. A. Boering 9:20 104. Dynamics of isotope exchange between hyperthermal O(3P) and CO2. L. Y. Yeung, M. Okumura, J. Zhang, N. F. Lindholm, T. K. Minton, J. T. Paci, G. C. Schatz 9:40 105. Semiclassical wavepacket study of anomalous isotope effect in ozone formation. D. Babikov, E. Vetoshkin 10:00 Intermission. 10:20 106. Non-RRKM effects in some atmospheric reactions. J. R. Barker 10:40 107. Vibrational energy flow and dynamically averaged vibrational properties through ab initio dynamical studies. S. S. Iyengar 11:00 108. Frequency-stabilized cavity ringdown spectroscopy of the oxygen A-band spectrum. D. Robichaud, J. T. Hodges, L. R. Brown, D. Lisak, P. Maslowski, L. Y. Yeung, C. E. Miller, M. Okumura 11:20 109. Infrared spectroscopy and photochemistry of isotopically substituted NO3 trapped in solid neon. M. E. Jacox, W. E. Thompson 11:40 110. Coherent 2-D spectroscopy of nitrogen dioxide. P. C. Chen

8:00 118. Renormalized coupled-cluster methods: Theoretical foundations and extension to open-shell systems. P. Piecuch, M. Wloch, J. R. Gour 8:40 119. Methodological advances in statespecific multireference coupled cluster theory: Applications to benzynes, antiaromatics, novel carbenes, and benchmark systems. W. D. Allen, F. A. Evangelista, A. C. Simmonett, H. F. Schaefer III 9:20 120. Study of biradicals and transition metal compounds with state specific equation of motion coupled cluster method. L. Kong, O. Demel, M. Nooijen 9:40 121. Explicitly correlated coupled cluster methods for radicals. E. F. Valeev 10:00 Intermission. 10:20 122. Successes and challenges in the quantitative modeling of open-shell species. N. DeYonker, T. R. Cundari, A. K. Wilson 11:00 123. Static correlation in open-shell systems by coupled cluster generalized valence bond methods. K. V. Lawler Jr., M. Head-Gordon 11:20 124. Breaking bonds of open-shell species with the restricted open-shell size extensive left eigenstate completely renormalized coupled-cluster method. Y. Ge, M. S. Gordon, P. Piecuch, M. Wloch, J. R. Gour 11:40 125. Leveraging graphical processing units (GPUs) for quantum chemistry. I. S. Ufimtsev, T. J. Martinez

Section F Section D Morial Convention Center Rm. 344


Optical Probes of Dynamics in Complex Environments Structure and Dynamics

Spectroscopy, Chemistry, and Imaging through Nanophotonics Nanoscale Photocatalysis and Molecular Interactions


S. K. Gray and G. P. Wiederrecht, Organizers

A. V. Benderskii, Presiding

N. Fang, Presiding

8:00 111. Ultrafast X-ray spectroscopy and imaging of chemical and physical processes. X. Li, B. Ahr, C. M. Laperle, C. Rose-Petruck 8:40 112. Ultrafast X-ray scattering studies of structural dynamics. K. J. Gaffney 9:20 113. Probing charge-transfer processes in solution with ultrafast X-ray absorption spectroscopy. M. Khalil 10:00 Intermission. 10:20 114. Femtosecond and picosecond X-ray spectroscopy in chemical dynamics research. C. Bressler 11:00 115. 3-Point frequency fluctuation correlation functions of the OH-stretch of liquid water. S. Garrett-Roe, P. Hamm 11:20 116. Vibrational energy transport time correlates with the intermode distance. I. V. Rubtsov, S. R. G. Naraharisetty, V. M. Kasyanenko, C. Keating

8:20 126. Chromophore functionalized gold nanoparticles and nanorods. P. V. Kamat, M. Jebb, K. G. Thomas 9:00 127. Cluster based materials: Novel nanomaterials with distinct size dependent chemical and physical properties. S. Vajda, S. Lee, Y. Lei, L. A. Curtiss, J. P. Greeley, P. C. Redfern, M. J. Pellin, B. Lee, S. Seifert, R. E. Winans, J. W. Elam, A. Kleibert, K. Sell, V. von Oeynhausen, K-H. Meiwes-Broer, A. Fraile-Rodríguez, B. Hammer, L. M. Molina, M. J. López, J. M. Alonso 9:40 128. Unified theory for photoinduced molecular movement in azobenzene containing polymer films. M. Juan, J. Plain, R. Bachelot, P. Royer, G. P. Wiederrecht, S. K. Gray 10:00 Intermission. 10:20 129. THz time-domain spectroscopy of liquid crystal and liquid crystal colloid. M. Oh-e, H. Yokoyama, M. Koeberg, E. Hendry, M. Bonn 10:40 130. Nanoscale plasmonic heterostructures. G. P. Wiederrecht, A. Bouhelier 11:00 131. Investigation of structural changes of 1,1’- diethyl-2,2’-cyanine iodide during its J-aggregation in water solutions containing different inorganic salts. I. A. Struganova, I. Pazos


11:20 132. Semiconductor quantum dot sensitized multiphoton polymerization. N. C. Strandwitz, A. Khan, S. W. Boettcher, A. Mikhailovsky, C. J. Hawker, T-Q. Nguyen, G. D. Stucky 11:40 133. Surfactant-induced growth rate modulation of silver shells on gold nanoparticles monitored by spectrophotometry. J. M. Koehler, H. Romanus

Section G Morial Convention Center Rm. R03 Multiscale Modeling in Biophysics Protein Flexibility and Dynamics at Multiple Resolutions Cosponsored by AIChE Thermodynamics and Transportation Properties (Area 1a)

G. A. Voth and M. S. Shell, Organizers C. Clementi, Organizer, Presiding 8:20 134. Intrinsic dynamics of proteins and regulation of allosteric communication. C. Chennubhotla, Z. Yang, I. Bahar 9:00 135. Spatial and temporal coarsegraining in simulations of protein dynamics and complex formation. G. Hummer, N-V. Buchete, R. B. Best, W. Zheng, Y-G. Chen, Y. C. Kim 9:40 136. Multiscale framework for the characterization of protein native states. A. Shehu 10:00 Intermission. 10:20 137. Control of protein motions by structures. R. Jernigan 11:00 138. One-bead models for structural transitions in macrobiomolecules. V. Tozzini 11:40 139. Unveiling conformational changes of biological molecules using multiscale modeling and multiresolution experiments. F. Tama

Section E Morial Convention Center Rm. 351 Thermodynamics in Chemical Engineering: Prospects and Perspectives Fundamentals of Simulation and Theory Sponsored by AIChE Thermodynamics and Transportation Properties (Area 1a), Cosponsored by PHYS‡

M. S. Shell and C. Clementi, Organizers 8:30 99024. Simulation methods for the thermodynamics and kinetics of complex systems. F. A. Escobedo 9:00 99025. Molecular simulation of advanced materials. M. H. Lamm 9:30 99026. Advances in molecular modeling of bulk and interfacial phase behavior and microstructure in copolymers and associating fluids. W. G. Chapman, S. Jain, A. Bymaster, C. Emborsky, K. R. Cox 10:00 99027. New picture of first-order phase transitions in metastable fluids: Homogeneous nucleation and growth. D. S. Corti 10:30 99028. Nonequilibrium dynamics and the electrostatic charging of granular systems. D. J. Lacks 11:00 99029. Mainstreaming molecular simulation in chemical engineering education and application. J. Elliott Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Organics/Polymer Sponsored by COLL, Cosponsored by PHYS and ENGENV The Physical Chemistry of Environmental Interfaces Sponsored by COLL, Cosponsored by PHYS and ENGENV

TECH–109

TECHNICAL PROGRAM

PHYS MONDAY AFTERNOON Section A Morial Convention Center Rm. 342 Computational Spectroscopy Session Honoring Bartlett

K. Raghavachari and H. B. Schlegel, Organizers S. Hirata, Presiding 1:20 140. First principles simulations of electronic spectroscopy. M. Nooijen, C. Leon, B. Dey 2:00 141. Hybrid functionals: The role of nonlocal Hartree-Fock exchange. G. E. Scuseria 2:40 142. Cholesky decomposition in computational chemistry. R. Lindh, T. B. Pedersen, F. Aquilante 3:00 Intermission. 3:20 143. A puzzle in the electronic spectroscopy of 1,3-diphenylisobenzofuran. Z. Havlas, A. F. Schwerin, J. Michl 4:00 144. Multiresolution quantum chemistry. R. J. Harrison, G. I. Fann, A. Beste, S. Sugiki, R. Hartman-Baker 4:40 145. Transferability of the coupled cluster response function: Applications to excitation energies, dynamic polarizabilities, and dispersion coefficients. T. F. Hughes, R. J. Bartlett 5:00 146. Linear N3+ photoelectron spectrum by wavepacket propagation. V. Mozhayskiy, A. I. Krylov

2:00 155. Gas-phase, heterogeneous, and condensed-phase chemistry and the evolution of organic aerosol volatility. N. M. Donahue, C. Maksymiuk, A. M. Sage, L. Hildebrandt 2:40 156. Kinetics of sulfate esterification reactions in sulfuric acid aerosols. M. J. Elrod, E. C. Minerath, M. T. Casale 3:00 157. HR-ToF-AMS study of the yield and chemical composition of ␣-pinene SOA as a function of organic loading. J. E. Shilling, Q. Chen, S. M. King, T. Rosenoern, J. H. Kroll, D. R. Worsnop, P. F. DeCarlo, A. C. Aiken, D. Sueper, J. L. Jimenez, K. A. McKinney, S. T. Martin 3:20 Intermission. 3:40 158. Organic functional groups and their mixtures in particle types. L. Russell, S. Takahama, S. Gilardoni, S. Liu, L. N. Hawkins 4:20 159. Contribution of glyoxal to secondary organic aerosol formation from atmospheric oxidation of small volatile organic compounds. F. N. Keutsch, M. M. Galloway, A. W. Chan, N. Ng, J. H. Seinfeld, P. Wennberg 5:00 160. Surface reactions of terpenes and their precursors as models for atmospheric aerosols studied by sum frequency generation. A. M. Buchbinder, G. Y. Stokes, J. M. Gibbs-Davis, K. A. Scheidt, E. Weitz, F. M. Geiger


Section B

Optical Probes of Dynamics in Complex Environments Structure and Dynamics



Nanostructured Materials Interface Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22) and COLL

J. P. Ogilvie, Presiding

P. Yang, X. Peng, and C. B. Murray, Organizers D. Zhao and M. S. Wong, Presiding 1:20 147. The use of nanostructured interfaces to control chemical and biological processes. G. Stucky 2:00 148. The use of metal complexes in organic solar cells. M. E. Thompson, M. D. Perez, K. Mutolo, C. W. Schlenker 2:40 149. Hybrid polymer light-emitting devices and related LED to LEC transition behavior. Y. Shao, G. C. Bazan, A. J. Heeger 3:00 Intermission. 3:20 150. Synthesis and structures of ordered mesoporous polymers and carbon molecular sieves. D. Zhao 4:00 151. Hierarchical nanoporous silica films through self-assembly and controlled phase separation. L. Song, B. D. Vogt 4:20 152. Nanoporous conjugated poly(aryleneethynylenes). J. Jiang, F. Su, A. Trewin, A. I. Cooper 4:40 153. A simple and versatile method to fully crystalline mesoporous transition metal oxides with large, uniform pores. M. C. Orilall, J. Lee, F. DiSalvo, U. B. Wiesner

Section C

1:20 161. Molecular structural dynamics studied by ultrafast optical and X-ray transient absorption spectroscopy. L. X. Chen, X. Zhang, E. C. Wasinger, D-J. Liu, K. Attenkofer, G. Jennings 2:00 162. Probing time-dependent molecular structures with Rydberg electrons. P. M. Weber 2:40 163. Revealing a protein active site for structural analysis: An application of triply resonant multidimensional spectroscopy. D. R. Klug 3:00 Intermission. 3:20 164. Probing quasiparticle and electron correlations by coherent 2-D spectroscopy. S. Mukamel, D. Abramavicius, L. Yang, Z. Li, R. Oszwaldowski 4:00 165. Ultrafast vibrational dynamics of asymmetric hydrogen-bonded dimers. P. B. Petersen, S. T. Roberts, M. W. Kanan, E. R. Young, R. A. Nicodemus, K. Ramasesha, D. G. Nocera, A. Tokmakoff 4:20 166. First-principles approach to the anharmonic vibrational properties of biomolecules. J. Wang, K. Cai, X. Ma, G. Wang 4:40 167. 2-D Electronic spectroscopy with artificial light harvesting aggregates: Interband exciton WP coherent motion and quantum kinetics of energy transfer. J. Sperling, F. Milota, A. Nemeth, D. Abramavicius, S. Mukamel, H. F. Kauffmann

Physical Chemistry of Atmospheric Processes Organic Aerosol Evolution

S. Nizkorodov, Presiding 1:20 154. Chemistry of secondary organic aerosol formation from reactions of hydroxyl radicals with linear, branched, and cyclic alkanes. Y. B. Lim, P. J. Ziemann

110–TECH

Morial Convention Center Rm. 345 Electronic Structure and Reaction Dynamics of Open-shell Species Open-shell Species in Clusters and Condensed Phase

J. Zhang and M. Head-Gordon, Organizers M. Okumura, Presiding 1:20 168. Solvation and reactivity of the aqueous hydroxyl radical. C. Adriaanse, M. Sulpizi, J. VandeVondele, M. Sprik 2:00 169. Complications in modeling the reaction dynamics of free radicals in solution phase. R. W. Ashcraft, W. H. Green Jr. 2:40 170. Dynamics and spectroscopy of open-shell species in water: The ionization process. C. G. Elles, C. A. Rivera, S. E. Bradforth 3:00 Intermission. 3:20 171. Emission from electronically excited metal atoms and exciplexes during single-bubble sonoluminescence. D. J. Flannigan, K. S. Suslick 3:40 172. Characterization of open shell anion and cation cluster ions: Reaction intermediates and high energy isomers. M. Johnson 4:20 173. Adjusting the knobs on hydratedelectron pseudopotentials. J. M. Herbert 5:00 174. Studies of H atom and free radical reactions using unconventional spectroscopic methods. K. Ghandi

Section F Morial Convention Center Rm. 340/341 Multiscale Modeling in Biophysics Protein Flexibility and Dynamics at Multiple Resolutions Cosponsored by AIChE Thermodynamics and Transportation Properties (Area 1a)

C. Clementi and G. A. Voth, Organizers M. S. Shell, Organizer, Presiding 1:20 175. Biomolecular solvation: From atoms to continua. N. A. Baker, B. Olsen, F. Dong, J. A. Wagoner 2:00 176. Inherent structures in the assembly landscape of viral capsids. C. L. Brooks III 2:40 177. Ligand migration in myoglobin: Another look at the old puzzle. A. Onufriev 3:00 Intermission. 3:20 178. Mapping protein free energy landscapes from atomistic simulations. G. A. Papoian, S. Wu, P. Zhuravlev, C. K. Materese 4:00 179. Dynamics of protein folding by massively parallel simulations with a physics-based coarse-grained force field. A. Liwo, S. Oldziej, C. Czaplewski, G. Maisuradze, H. A. Scheraga 4:40 180. Protein folding kinetics, design and structure prediction: Learning to cope with frustration. P. G. Wolynes

Section E Morial Convention Center Rm. 351 Thermodynamics in Chemical Engineering: Prospects and Perspectives Nanoscale and Biological Systems Sponsored by AIChE Thermodynamics and Transportation Properties (Area 1a), Cosponsored by PHYS‡


M. J. Elrod and J. Thornton, Organizers

Section E


M. S. Shell and C. Clementi, Organizers 2:00 99042. Runniness and randomness of confined fluids. T. M. Truskett 2:35 99043. Investigating the phase behavior of fluids in the vicinity of a surface. J. R. Errington 3:10 99044. Hydrophobic and hydrophilic hydration and interactions relevant to biological systems. S. Garde

3:45 99045. Disentangling the stability and function of natively unfolded proteins. H. Ashbaugh 4:20 99046. Adsorption of microorganisms on single-walled carbon nanotubes and other porous media. M. Mitchell, V. K. K. Upadhyayula, S. Deng ACS Award in Industrial Chemistry: Symposium in Honor of T.J. Wallington: Greenhouse Gases Sequestration: Technology and Economics Sponsored by BMGT, Cosponsored by AIChE Environmental Division (Group 9), PHYS‡, and ENGENV Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Photochemistry and Photocatalysis Sponsored by COLL, Cosponsored by PHYS and ENGENV The Physical Chemistry of Environmental Interfaces Sponsored by COLL, Cosponsored by PHYS and ENGENV Undergraduate Research Poster Session: Physical Chemistry Sponsored by CHED, Cosponsored by PHYS and SOCED


L. J. Butler, Organizer 8:00–10:00 329-331, 333, 336, 338, 341-342, 346, 356357, 359, 375, 381, 384-385, 387, 389, 405, 415, 419-420, 433, 445, 449-450, 459, 478, 480, 482, 490, 494, 499, 501, 503-504, 506, 509, 513, 536-537, 539, 547, 549, 558, 560-562, 570, 578, 587, 590-591, 593-594, 596-597, 615, 621-623, 628, 633, 635-638, 645, 647, 656. See subsequent listings. The Physical Chemistry of Environmental Interfaces Sponsored by COLL, Cosponsored by PHYS and ENGENV

TUESDAY MORNING Section A Morial Convention Center Rm. 342 Computational Spectroscopy Spectroscopy and Dynamics

K. Raghavachari and H. B. Schlegel, Organizers V. Chernyak, Presiding 8:00 181. Quadratic description of conical intersections, applications to structure, spectroscopy and dynamics. M. A. Robb, F. Sicilia, B. Lasorne, M. J. Bearpark, L. Blancafort 8:40 182. Simulating vibrational properties of hydrogen bonded systems through quantum wavepacket ab initio dynamics. S. S. Iyengar 9:20 183. Simulations of coherent exciton dynamics in multidimensional spectroscopy. D. Abramavicius, D. Voronine, S. Mukamel 9:40 184. First principles X-ray absorption spectroscopy of aqueous systems. D. Prendergast, G. Galli, C. P. Schwartz, J. Uejio, R. J. Saykally 10:00 Intermission. 10:20 185. Single-conformation spectroscopy and dynamics in the complexity gap: Synthetic foldamers and flexible bichromophores. T. S. Zwier, E. Baquero, W. James III, N. Pillsbury, C. Rodrigo, C. Mueller, S. H. Gellman, S-H. Choi, D. Plusquellic


PHYS 11:00 186. Using diffusion Monte Carlo to evaluate vibrational frequencies of fluxional systems. A. B. McCoy, C. E. Hinkle 11:40 187. Spectroscopy of condensed phase systems: Semiclassical approach. J. Liu, W. H. Miller

Section B Morial Convention Center Rm. 338/339 Nanostructured Materials Energy Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22) and COLL

P. Yang, X. Peng, and C. B. Murray, Organizers R. A. Segalman and M. S. Wong, Presiding 8:20 188. Growing nanocrystals inside crystals for thermodynamically stable advanced thermoelectrics. M. G. Kanatzidis 9:00 189. Carbon nanotube- semiconductor and TiO2 nanotube-quantum dot architectures for light energy conversion. P. V. Kamat, P. Brown, A. Kongkanand 9:20 190. Study of gas-phase deposited lead sulfide nanocrystals embedded in oligomer matrices for optoelectronic devices. A. M. Zachary, I. L. Bolotin, D. J. Asunskis, A. T. Wroble, L. Hanley 9:40 191. Tunable electronic interfaces between bulk semiconductors and ligand stabilized nanoparticle assemblies. S. W. Boettcher, N. C. Strandwitz, M. Schierhorn, N. Lock, M. C. Lonergan, G. D. Stucky 10:00 Intermission. 10:20 192. Probing the chemistry of molecular heterojunctions using thermoelectricity. K. Baheti, J. A. Malen, P. Doak, T. D. Tilley, A. Majumdar, R. A. Segalman 11:00 193. Phonon effects in 1-D materials. J. R. Heath, K. Xu, A. Boukai, J. K. Yu, S. Mitrovic, W. A. Goddard III, J. T. Kehli 11:40 194. Enhanced thermoelectric performance in rough silicon nanowires. A. I. Hochbaum, R. Chen, A. Majumdar, P. Yang

Section D Morial Convention Center Rm. 344 Optical Probes of Dynamics in Complex Environments Protein Dynamics

A. Tokmakoff and R. J. Sension, Organizers J. Bredenbeck, Presiding 8:00 202. Rapid-scan 2-D IR spectroscopy using mid-IR pulse shaping and application to amyloid folding. M. T. Zanni 8:40 203. Solvation dynamics in protein environments: Comparison of fluorescence upconversion measurements of coumarin 153 in monomeric hemeproteins with molecular dynamics simulations. S. Bose, M. Halder, P. Mukherjee, M. S. Hargrove, X. Song, J. W. Petrich 9:00 204. Watching the protein mambo: Spectroscopic probes of enzyme dynamics. C. M. Cheatum, J. N. Bandaria, S. E. Hill, S. Dutta, A. Kohen 9:20 205. Modeling 2-D infrared spectroscopy of polypeptides and proteins. J. Knoester 10:00 Intermission. 10:20 206. Multiple population period transient spectroscopy (MUPPETS) to determine the origin of nonexponential relaxation: The Laplace-domain analog of spectral hole burning. C. Khurmi, M. A. Berg 10:40 207. Novel infrared and fluorescence probes for protein folding and binding studies. F. Gai 11:20 208. Photoinduced isomerization of retinal in complex environments. C. Punwong, T. J. Martinez

Section E Morial Convention Center Rm. 345 Spectroscopy, Chemistry, and Imaging through Nanophotonics Devices, Materials, and Applications

Section C

S. K. Gray and G. P. Wiederrecht, Organizers


S. Zou, Presiding

Physical Chemistry of Atmospheric Processes Organic Aerosol Evolution

8:00 209. Single nanowire lasers: Toward a continuously tunable design. R. M. Onorato, J. C. Johnson, P. Yang, R. J. Saykally 8:40 210. Multiple exciton generation in semiconductor quantum dots and applications to third generation solar photon conversion. A. J. Nozik, R. J. Ellingson, M. C. Beard, J. Luther, J. C. Johnson, M. D. Law, Q. Song 9:20 211. Why has doping been difficult in semiconductor nanocrystals? D. J. Norris 10:00 Intermission. 10:20 212. Surface modification of gold-silica nanoshells for cancer therapy. S. W. Bishnoi, Y-J. Lin 10:40 213. Ultrafast response of semiconductor nanocrystals to high-photon energy absorption: Multiexcitons from a single photon. R. D. Schaller, M. Sykora, J. M. Pietryga, V. I. Klimov 11:00 214. Size-dependent intrinsic radiative decay rates of silicon nanocrystals at large confinement energies. M. Sykora, L. Mangolini, R. D. Schaller, U. Kortshagen, D. Jurbergs, V. Klimov 11:20 215. Nanoparticle enhanced blue emission. X. Cai, K. C. Anyaogu, D. C. Neckers

M. J. Elrod and J. Thornton, Organizers N. M. Donahue, Presiding 8:00 195. A tale of two worlds: Organic aerosols in the atmospheres of Titan and early Earth. M. A. Tolbert, M. G. Trainer, C. A. Hasenkopf, J. L. Jimenez, A. A. Pavlov, C. P. McKay, O. B. Toon 8:40 196. Photodissociation processes in secondary organic aerosol particles. S. Nizkorodov, A. Bateman, S. Mang, X. Pan, J. Underwood, M. Walser, J-H. Xing, M. P. S. Andersen, D. R. Blake 9:20 197. Secondary organic aerosol formation from realistic terpene mixtures. M. Hatfield, H. Amin, J. Junge, A. Wagner, K. E. Huff Hartz 9:40 198. The roles of phase and morphology in influencing the oxidation of organic aerosol particles. G. D. Smith, L. Van Loon, J. D. Hearn, L. H. Renbaum 10:00 Intermission. 10:20 199. Photochemical SOA formation in NOx-organic mixtures. B. J. Finlayson-Pitts, Y. Yu, M. J. Ezell, S. N. Johnson, L. M. Wingen, A. Zelenyuk, L. Alexander 11:00 200. Tropospheric aerosol chemistry via aerosol mass spectrometry. D. Worsnop, T. O. Onasch, M. Canagaratna, J. T. Jayne, J. Kroll, A. Trimborn, I. M. Ulbrich, A. C. Aiken, P. F. DeCarlo, J. L. Jimenez, Q. Zhang 11:40 201. Morphological effects on coated aerosol kinetics. E. P. Rosen, E. R. Garland, T. Baer

11:40 216. Building a qualitative and quantitative understanding of optoelectronic processes in materials for solar energy conversion: From molecules to material. A. J. Gesquiere, D. Tenery, Z. Hu

Section F Morial Convention Center Rm. 340/341 Multiscale Modeling in Biophysics Protein Flexibility and Dynamics at Multiple Resolutions Cosponsored by AIChE Thermodynamics and Transportation Properties (Area 1a)

C. Clementi and M. S. Shell, Organizers G. A. Voth, Organizer, Presiding 8:20 217. New computational algorithms for multiscale simulation and modeling. J. Ma 9:00 218. Effect of crystal packing on protein dynamics. O. Miyashita 9:40 219. Point multipole electrostatics for coarse-grained models. T. Ichiye 10:00 Intermission. 10:20 220. Rigidity and graph clustering across time-scales: Coarsegraining biomolecular assemblies from the bottom-up. S. N. Yaliraki 11:00 221. Simultaneous determination of protein structure and dynamics. M. Vendruscolo 11:40 222. “Combinatorial Decorating”: A non-dynamical, multiresolution strategy for atomistic sampling. D. M. Zuckerman, A. Mamonov

Section E Morial Convention Center Rm. 351 Thermodynamics in Chemical Engineering: Prospects and Perspectives Energy and the Environment Sponsored by AIChE Thermodynamics and Transportation Properties (Area 1a), Cosponsored by PHYS‡

M. S. Shell and C. Clementi, Organizers 8:30 99084. Development and application of advanced molecular simulation methods for computing the properties of ionic liquids. E. J. Maginn 9:05 99085. Perspectives and challenges in adsorption science and nanoporous materials. K. S. Walton 9:40 99086. Using thermodynamic properties from first-principles calculations to accelerate the search for metal hydride-based hydrogen storage materials. D. S. Sholl, S. Alapati, K-C. Kim, B. Dai, J. K. Johnson 10:15 99087. Using molecular modeling to understand enzymatic cellulose hydrolysis. C. McCabe, X. Zhao, M. E. Himmel 10:50 99088. Thermodynamic measurements for alternative energy applications. M. C. Thies, S. E. Mena, M. Edling George C. Pimentel Award in Chemical Education: Symposium in Honor of Richard N. Zare: Intersystem Crossing in Chemical Education Sponsored by CHED, Cosponsored by PHYS and ANYL The Physical Chemistry of Environmental Interfaces Sponsored by COLL, Cosponsored by PHYS and ENGENV

TUESDAY AFTERNOON Section A Morial Convention Center Rm. 338/339 Physical Chemistry Awards Symposium

L. J. Butler, Organizer, Presiding


1:00 223. Award Address (Peter Debye Award in Physical Chemistry, sponsored by E. I. du Pont de Nemours & Company). A half century journey through physical chemistry. M. L. Klein 1:40 224. Award Address (Irving Langmuir Award in Chemical Physics, sponsored by General Electric Global Research). Probing chemical dynamics with negative ions. D. M. Neumark

2:20 225. Award Address (Joel Henry Hildebrand Award in the Theoretical and Experimental Chemistry of Liquids, sponsored by ExxonMobil Research and Engineering Company). Computational studies of confined water. P. G. Debenedetti, P. J. Rossky, N. Giovambattista 3:00 226. Award Address (ACS Award in Theoretical Chemistry, sponsored by IBM Corporation). Methods for first principles predictions on complex systems, with applications to catalysis, nanoelectronics, fuel cells, pharma and materials science. W. A. Goddard III 3:40 227. Award Address (Ahmed Zewail Award in Ultrafast Science and Technology, sponsored by Ahmed Zewail Endowment Fund established by Newport Corporation). Two-dimensional electronic spectroscopy of photosynthetic complexes. G. R. Fleming, E. Read, T. Calhoun, G. Schlau-Cohen, Y-C. Cheng, H. Lee 4:20 228. Award Address (E. Bright Wilson Award in Spectroscopy, sponsored by the American Chemical Society). Electron spin resonance spectroscopy: A renaissance. J. H. Freed George C. Pimentel Award in Chemical Education: Symposium in Honor of Richard N. Zare: Intersystem Crossing in Chemical Education Sponsored by CHED, Cosponsored by PHYS and ANYL Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Ultrafast Spectroscopy Sponsored by COLL, Cosponsored by PHYS and ENGENV The Physical Chemistry of Environmental Interfaces Sponsored by COLL, Cosponsored by PHYS and ENGENV

WEDNESDAY MORNING Section A Morial Convention Center Rm. 342 Computational Spectroscopy Spectroscopy of Materials

K. Raghavachari and H. B. Schlegel, Organizers C. B. Musgrave, Presiding 8:00 229. Improved chemical contrast in scanning tunneling microscopy: Imaging as a form of local electronic spectroscopy. D. J. Doren 8:40 230. Surface infrared spectroscopy. Y. J. Chabal, K. Raghavachari 9:20 231. Surface vibrations of adsorbates on Si(111): From small clusters to infinite lattices. G. A. Ferguson, K. Raghavachari 9:40 232. Computational spectroscopy of excited-state DNA bases. H. Hudock, T. J. Martínez 10:00 Intermission. 10:20 233. Time-dependent density functional theory as a practical tool in the study of MCD and CD spectra of transition metal complexes. Implementations and applications. M. Seth, M. Krykunov, T. Ziegler 11:00 234. Computational studies of C␣-D and C≡N vibrational probes. S. A. Corcelli 11:40 235. Theory and simulaton of relaxation and photoluminescence in PbSe and CdSe quantum dots. D. S. Kilin, O. V. Prezhdo, S. V. Kilina

Section B Morial Convention Center Rm. 338/339 Nanostructured Materials Energy Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22) and COLL

P. Yang, X. Peng, and C. B. Murray, Organizers Y. Wu and Y. Cui, Presiding 8:20 236. Nanostructured TiO2 thin films co-doped with transition metals for enhanced visible light absorption: Experiments and first-principles calculations. E. Thimsen, C. S. Lo, P. Biswas

TECH–111

TECHNICAL PROGRAM

PHYS 8:40 237. Synthesis of copper (I) sulfide nanocrystals for photovoltaic application. Y. Wu, C. Wadia, W. Ma, B. Sadtler, A. Alivisatos 9:00 238. Tuning the properties of orthogonally oriented hexagonal mesoporous titania for photovoltaics. S. E. Rankin, Q. Wu, V. R. Koganti 9:20 239. Energy nanomaterials. Y. Wu 10:00 Intermission. 10:20 240. Nanogenerators and nanopiezotronics. Z. L. Wang 11:00 241. Batteries, solar cells and transparent conducting electrodes with nanowires. Y. Cui 11:40 242. Au/poly(3,4-ethylenedixoythiophene) nanotube electrodes for electrochromic and electrochemical devices. S. Cho, D. H. Choi, R. Liu, S. B. Lee

9:40 253. Ultrafast 2-D vibrational spectroscopy of molecular monolayers. J. Bredenbeck, A. Ghosh, M. Smits, M. Bonn 10:00 Intermission. 10:20 254. Measuring the changes in the local molecular environment during reaction dynamics in solution. D. A. Blank 11:00 255. Solvent role in chemical reaction dynamics: Surface hopping and modespecific energy dissipation. S. E. Bradforth 11:40 256. Atomic solvation dynamics and the breakdown of linear response. A. E. Bragg, M. Cavanagh, B. J. Schwartz

11:40 270. Theoretical investigation of assembly and optical properties of colloidal crystals. C. M. Aikens

Section B

Section G

Nanostructured Materials Nanowire/Nanotube Cosponsored by AIChE Nanoscale Science Engineering Forum (Group 22), and COLL

Section E

C. Clementi, G. A. Voth, and M. S. Shell, Organizers

Section C

Electronic Structure and Reaction Dynamics of Open-shell Species Photodissociation Dynamics of Free Radicals

Morial Convention Center Rm. 343 Physical Chemistry of Atmospheric Processes Aerosol Formation, Hygroscopicity, Phase Transitions, and Cloud Nucleation

M. J. Elrod and J. Thornton, Organizers J. B. Burkholder, Presiding 8:00 243. Ice nucleation on and in atmospheric particles. M. Eastwood, M. Wheeler, C. Gehrke, B. J. Murray, A. K. Bertram 8:40 244. Nucleation and growth of ice at cirrus cloud level. T. Peter, C. Marcolli, B. P. Luo, U. K. Krieger 9:20 245. Effect of water evaporation on cloud and aerosol growth rates: Some new measurements on liquid microjet systems. W. Drisdell, J. D. Smith, C. D. Cappa, R. C. Cohen, R. J. Saykally 10:00 Intermission. 10:20 246. Measurements of ice phase transitions involving atmospheric aerosols. P. J. DeMott 11:00 247. Hygroscopicity of amphiphilic nanoparticles: The role of size and composition for potential cloud condensation nuclei. C. W. Harmon, A. Alshawa, J. Underwood, S. Nizkorodov, V. M. Bergstedt, J. L. Thomas, D. J. Tobias 11:20 248. Relative humidity dependence of light extinction by mixed organic/sulfate particles. M. R. Beaver, T. Baynard, R. M. Garland, C. A. Hasenkopf, A. R. Ravishankara, M. A. Tolbert 11:40 249. Heterogeneous chemistry of mineral dust particles and its effects on their ability to nucleate clouds. R. C. Sullivan, M. J. Moore, G. C. Roberts, M. D. Petters, S. M. Kreidenweis, K. A. Prather

Section D Morial Convention Center Rm. 344 Optical Probes of Dynamics in Complex Environments Nonequilibrium Dynamics and Solvation

A. Tokmakoff and R. J. Sension, Organizers C. M. Cheatum, Presiding 8:00 250. Ultrafast 1- and 2-D infrared studies of complex chemical reactions. C. B. Harris, K. R. Sawyer, J. F. Cahoon, J. P. Schlegel 8:40 251. Nonequilibrium dynamics studied with transient Fourier transform 2-D IR spectroscopy. R. McCanne, C. R. Baiz, J. M. Anna, M. J. Nee, K. J. Kubarych 9:20 252. Solute pump/solvent probe spectroscopy: Theory and molecular mechanism. R. M. Stratt, B. M. Ladanyi


112–TECH


M. Head-Gordon, Organizer J. Zhang, Organizer, Presiding 8:00 257. Nonadiabatic interactions, predissociation and ionization in open shell systems. H. Reisler 8:40 258. Spectroscopy and dynamics of the HCCO radical. A. G. Suits, C. Huang, A. Estillore 9:20 259. Reaction dynamics of the cluster reaction (N2O)2 + h␯(193 nm) → 2NO: An investigation by 3-D velocity mapping. S. Kauczok, N. Goedecke, A. I. Chichinin, K-H. Gericke, C. Maul 9:40 260. Imaging studies of the photodissociation dynamics of halogen oxides. S. W. North 10:00 Intermission. 10:20 261. Spectroscopy and photodisssociation dynamics of hydrocarbon radicals. D. M. Neumark 11:00 262. Predissociation of the OH and SH radicals. C-H. Yang, K. Vidma, D. Radeovic, D. H. Parker, R. Rose, A. J. Orr-Ewing 11:40 263. Photopredissociation dynamics of the SH/SD radical. X. Zheng, J. Wu, Y. Song, J. Zhang

Section F Morial Convention Center Rm. 340/341 Spectroscopy, Chemistry, and Imaging through Nanophotonics Nanophotonics Theory and Modeling

Morial Convention Center Rm. 346 Multiscale Modeling in Biophysics Biomolecular Complexes: Dynamics, Assembly, and Function Cosponsored by AIChE Thermodynamics and Transportation Properties (Area 1a)

J. A. McCammon, Presiding 8:20 271. Aggregation and nanotube formation of cyclic peptides at an oil-water interface using coarse grained molecular dynamics. E. Khurana, R. DeVane, M. L. Klein 9:00 272. Supramolecular biology: Assembly and stability. J. A. McCammon 9:40 273. Coarse-grained models of biomolecular motion and force generation. S. X. Sun 10:00 Intermission. 10:20 274. Multiscale modeling of membrane proteins. S. J. Marrink 11:00 275. Packaging of viral genomes: Structures, forces and energetics. S. C. Harvey, A. Petrov 11:40 276. Simulation of structure forming systems: From the atomistic to the coarse grained level and back. C. Peter, L. Delle Site, N. van der Vegt, A. Villa, K. Kremer Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Organics/Polymer Sponsored by COLL, Cosponsored by PHYS and ENGENV The Physical Chemistry of Environmental Interfaces Sponsored by COLL, Cosponsored by PHYS and ENGENV

WEDNESDAY AFTERNOON Section A Morial Convention Center Rm. 342 Computational Spectroscopy Spectroscopy of Materials

G. P. Wiederrecht, Organizer

K. Raghavachari and H. B. Schlegel, Organizers

S. K. Gray, Organizer, Presiding

D. J. Doren, Presiding

8:00 264. Optical properties of metal nanostructures: Electrodynamics and electronic structure studies. G. C. Schatz 8:40 265. Plasmonic nanostructures: Artificial molecules. P. Nordlander 9:20 266. Coherent, nonlinear, and ultrafast nanoplasmonics. M. I. Stockman 10:00 Intermission. 10:20 267. Theoretical study of electronic properties of disordered and self assembled soft materials. S. Tretiak 11:00 268. Surface plasmon of metal nanoparticles and the sensing and waveguide applications. S. Zou 11:20 269. Surface-enhanced vibrational spectroscopy: Insights from TDDFT. L. Jensen

1:20 277. Combining quantum chemistry with vibrational spectroscopy to elucidate bonding at the organic-semiconductor interface. J. S. Kachian, M. A. Filler, A. J. Keung, S. F. Bent 2:00 278. Interplay between quantum chemical and experimental spectroscopy in the elucidation of the mechanisms of organic functionalization of semiconductor surfaces. C. B. Musgrave 2:40 279. DNA structure, spectra and dynamics in solution: A practical approach. G. C. Schatz, S. Tonzani 3:00 280. Electronic excitations in branched conjugated molecules, exciton scattering approach. V. Y. Chernyak, C. Wu, S. V. Malinin, S. Tretiak 3:20 Intermission. 3:40 281. Engineering of torsional potentials in conjugated organic dyes: Computational design of dyes for bioimaging and a light driven molecular motor. D. J. Yaron, V. Ediz, N. M. Albu, J. L. Lee, S. W. Cho, G. L. Silva, B. A. Armitage 4:20 282. Combining neutron spectroscopy with classical/quantum calculations. C. M. Brown, T. Yildirim, J. E. Curtis, D. A. Neumann 5:00 283. TDDFT studies of resonance Raman and resonance vibrational Raman optical activity. L. Jensen



P. Yang, X. Peng, and C. B. Murray, Organizers Y. Cui and H. Park, Presiding 1:20 284. Electronic structure of colloidal CdTe quantum wires. J. Sun, J. Schrier, L-W. Wang, W. E. Buhro 2:00 285. Electron transport in graphene nanostructures. P. Kim 2:40 286. Spectroscopy and dynamics of multiexciton states in single CdSe quantum wires. R. A. Loomis, J. J. Glennon, L. E. Buchanan, R. Tang, W. E. Buhro 3:00 Intermission. 3:20 287. Self-assembling semiconductor nanowires for applications in electronics and photonics. L. Samuelson 4:00 288. Chemical sensors based nanowires of discotic molecules. Y. Zilberman, U. Tisch, H. Haick 4:20 289. Massively parallel fabrication and characterization of DNA templated magnetic wires. A. Ivanisevic, J. M. Kinsella 4:40 290. Pushing the limits of raman confocal microscopy. N. Marquestaut, S. Varma, B. Galarreta, L. Servant, D. Talaga, P. Yang, F. Lagugné-Labarthet

Section C Morial Convention Center Rm. 343 Physical Chemistry of Atmospheric Processes Aerosol Formation, Hygroscopicity, Phase Transitions, and Cloud Nucleation

M. J. Elrod and J. Thornton, Organizers A. K. Bertram, Presiding 1:20 291. Particle nucleation following the oxidation of biogenic compounds. J. B. Burkholder 2:00 292. Hygroscopic growth of organicbearing aerosols: CCN and IN studies. J. Abbatt, R. Chang, Z. Kanji, N. Shantz, J. Slowik 2:40 293. Toward understanding the nucleation mechanism for multicomponent systems: An atomistic approach. B. Chen, R. B. Nellas, S. J. Keasler, H. Kim, J. I. Siepmann, J. S. Francisco 3:00 294. Complex photochemistry in the ionosphere of Titan: Induction by extreme ultraviolet radiation. M. A. Smith, H. Imanaka, D. Archer 3:20 Intermission. 3:40 295. Observations of new particle formation and growth in the atmosphere. P. H. McMurry, K. Iida, C. Kuang, M. Stolzenburg, A. V. McCormick, F. L. Eisele, J. N. Smith 4:20 296. Observations of nighttime new particle formation in the troposphere. S-H. Lee, D. Benson, L-H. Young, M. Kulmala, H. Junninen, T. Suni, T. Campos, J. Jensen 4:40 297. Multicomponent nucleation in Martian atmosphere. R. B. Nellas, B. Chen, J. I. Siepmann

Section D Morial Convention Center Rm. 344 Optical Probes of Dynamics in Complex Environments Dynamics in Complex Materials

A. Tokmakoff and R. J. Sension, Organizers K. J. Kubarych, Presiding 1:20 298. Charge and energy transfer dynamics in nanoscale systems. G. D. Scholes

PHYS 2:00 299. First principles simulations of electron transfer in the condensed phase. T. Van Voorhis 2:40 300. Enhanced nonlinear optical and emission properties in organic and metal assemblies. T. Goodson III 3:00 Intermission. 3:20 301. Taking it to the limit: Ultrafast dynamics of heat transport over ultrasmall distances. J. A. Carter, Z. Wang, D. D. Dlott 3:40 302. Watching electrons move in polymer blend photovoltaic materials. L. W. Barbour, R. D. Pensack, J. B. Asbury 4:20 303. Ultrafast dynamics in single-walled carbon nanotubes. D. J. Styers-Barnett, B. P. Mehl, B. C. Westlake, J. M. Papanikolas 4:40 304. Ultrafast magnetization dynamics in colloidal magnetic nanocrystals. C-H. Hsia, T-Y. Chen, D. H. Son 5:00 305. Variation of the electron-transfer pathway to modulate proton-coupled electron transfer kinetics and kinetic isotope effects. E. R. Young, J. Rosenthal, D. G. Nocera

3:20 Intermission. 3:40 317. Toward coherent control in the nanoscale. T. Seideman, M. Sukharev 4:20 318. New insights into electronic structures of semiconductor nanocrystals through single-particle and ultrafast spectroscopies. V. I. Klimov 5:00 319. Imaging of plasmonic modes of nanostructures using high-resolution cathodoluminescence spectroscopy. N. Fang, P. Chaturvedi, A. Kumar, K. H. Hsu

Section E

F. L. H. Brown, Presiding


1:20 320. Multiscale modeling and refinement against electron microscopy data: The molecular activation of tarantula muscle. W. Wriggers, L. Alamo, R. Padrón 2:00 321. Working principle of biomolecular motors revealed by multiscale simulations. S. Takada 2:40 322. An inhomogeneous model of proteins’ dielectric response and its applications. X. Song 3:00 Intermission. 3:20 323. Simple models for biomembrane structure and dynamics. F. L. H. Brown 4:00 324. Computational models of chaperonin-assisted protein folding. G. Stan, M. Jayasinghe 4:20 325. Selection of the T cell repertoire in the thymus. A. Chakraborty

Electronic Structure and Reaction Dynamics of Open-shell Species Free Radicals in Atmosphere and Other Chemical Processes

J. Zhang and M. Head-Gordon, Organizers S. W. North, Presiding 1:20 306. Cavity ringdown spectroscopy of atmospheric free radicals. M. Okumura, K. Takematsu, M. K. Sprague, A. K. Mollner, S. P. Sander, J. F. Stanton 2:00 307. HOCO radical chemistry. J. S. Francisco 2:40 308. Influence of hydrogen bonding on the spectra and reactivity of peroxy radicals. T. S. Dibble, J. A. Dabrowski, J. S. Kaplan 3:00 309. High level electronic structure theory and stochastic master equation simulations for analysis of tropospheric aromatic oxidation. D. R. Glowacki, M. J. Pilling 3:20 Intermission. 3:40 310. The reactions of small resonantlystabilized free radicals in molecular weight growth chemistry. D. L. Osborn, T. M. Selby, C. A. Taatjes, G. Meloni, A. Fahr, E. E. Greenwald, G. Fabien, S. R. Leone 4:20 311. Temperature-dependent kinetics of the reactions of the CCN (X2⌸) radical with C2H2 and C2H4. Z. Zhu, M. Ji, S. Zhang, Y. Chen 4:40 312. Chemical kinetics studies in the oxidation of hypergolic fuels. S. D. Chambreau, C. J. Gallegos, G. L. Vaghjiani 5:00 313. Characterization of interaction between ammonia molecules and the benzene radical cation. J. Garvey

Section F Morial Convention Center Rm. 340/341 Spectroscopy, Chemistry, and Imaging through Nanophotonics Ultrafast Spectroscopy, Pulse Shaping, and Imaging on Nanostructures

S. K. Gray and G. P. Wiederrecht, Organizers S. Vajda, Presiding 1:20 314. Controlling the ablation of materials with pairs of femtosecond laser pulses. R. J. Gordon, Y. Cheng, Z. Hu, Y. Liu, T. Lu, S. Singha, T. E. Witt 2:00 315. Plasmon resonance based optical trapping of nanoparticles. N. F. Scherer 2:40 316. Optical studies of the dynamics of single metal nanoparticles. G. V. Hartland, H. Staleva

Section G Morial Convention Center Rm. 346 Multiscale Modeling in Biophysics Biomolecular Complexes: Dynamics, Assembly, and Function Cosponsored by AIChE Thermodynamics and Transportation Properties (Area 1a)

C. Clementi, G. A. Voth, and M. S. Shell, Organizers

Interfacial Electron Transfer and Solar Energy Conversion: From Molecules to Nanomaterials Molecular Control Sponsored by COLL, Cosponsored by PHYS and ENGENV The Physical Chemistry of Environmental Interfaces Sponsored by COLL, Cosponsored by PHYS and ENGENV

WEDNESDAY EVENING Section A Morial Convention Center Hall A PHYS Poster Session—Optical Probes of Dynamics in Complex Environments

A. Tokmakoff and R. J. Sension, Organizers 7:30–10:00 326. The dynamics of heterogeneities in glasses probed with single molecule spectroscopy. R. Allen, A. Adhikari, D. Bingemann 327. Hydration dynamics at protein and DNA surfaces: Mechanism of orientational and hydrogen bond breaking dynamics. B. Jana, S. Pal, B. Bagchi 328. Infrared spectroscopy of tritiated water. R. A. Nicodemus, L. DeFlores, A. Tokmakoff 329. Applications of ultrafast 2-D infrared spectroscopy to studies of the Fe-hydrogenase enzyme system. A. I. Stewart, M. Towrie, I. P. Clark, A. W. Parker, S. Ibrahim, C. J. Pickett, N. T. Hunt 330. Bond connectivity and mode delocalization measured via relaxation-assisted 2-D IR spectroscopy. V. M. Kasyanenko, S. R. G. Naraharisetty, I. V. Rubtsov 331. Charge transfer induced proton-coupled electron transfer. J. J. Paul, B. C. Westlake, M. K. Brennaman, J. M. Papanikolas, T. J. Meyer 332. Energy migration in novel branched and cyclic aggregates. K. V. Hagedorn, T. Goodson III

333. Novel labeling strategy for structural measurements in proteins via 2-D IR spectroscopy. S. R. G. Naraharisetty, V. M. Kasyanenko, J. Zimmermann, M. Thielges, F. Romesberg, I. V. Rubtsov 334. Optimal control of photoproducts. D. G. Kuroda, V. D. Kleiman 335. Photoinduced charge separation at CdSe quantum dots and Re-bipyridyl complex interface. J. Huang, D. Stockwell, Z. Huang, T. Lian 336. Probing phospholipid induced ␣-synuclein aggregation with tryptophan fluorescence. C. M. Pfefferkorn, J. C. Lee 337. Synthesis and ultrafast chelation dynamics of novel molecular photoswitches. T. T. To, E. J. Heilweil 338. Terahertz spectroscopy of biomolecules in aqueous miscelles. C. C. Cooksey, E. J. Heilweil 339. Theoretical calculation of excimer formation rate in pyrene-functionalized gold nanoparticles. S. Volkán-Kacsó, B. Jankó, I. Kosztin 340. Ultrafast time-resolved measurements of a novel organic multichromophore TNT sensing material. A. Narayanan, T. Goodson III 341. Ultrafast magnetization dynamics in cobalt-doped iron oxide nanocrystals: Effect of varying exchange interaction. C-H. Hsia, T-Y. Chen, D. H. Son 342. Ultrafast photophysics of conjugated polyelectrolytes. G. M. Moriena, S. Komurlu, X. Zhao, S. H. Lee, H. Jiang, K. S. Schanze, V. D. Kleiman 343. 1,2,3,4,5-Pentamethyl-cyclopentadiene dynamics probed by photoionization. F. Rudakov, P. M. Weber 344. An excitonic state-resolved approach to coherent phonons in quantum dots: Generation and relaxation. P. Kambhampati, D. Sagar, R. R. Cooney, S. L. Sewall 345. Aqueous hydroxide ion transport dynamics probed using ultrafast vibrational echo experiments. S. T. Roberts, P. B. Petersen, K. Ramasesha, A. Tokmakoff 346. Local interfacial electronic structure of thin pentacene films on Si(111). M. L. Blumenfeld, M. P. Steele, B. S. Tackett, O. L. A. Monti 347. Probing solvation dynamics at the interface of reverse and normal aerosol-OT self assembled micelle systems. G. R. Bullock, N. E. Levinger 348. Site-specific kinetic studies of Amyloid fibril formation revealed with 2-D IR spectroscopy. S-H. Shim, D. B. Strasfeld, Y. Ling, M. T. Zanni 349. Solvent dependence of cage escape for small nonpolar radicals in solution. A. B. Stickrath, R. J. Sension 350. The study of hydrolysis kinetics for hexamethyldisilazane. L. Wang, H. Wu, L. Li, J. Zhao, C. Song 351. Ultrafast dynamics at the air/water interface investigated with time-resolved electronic sum-frequency generation (TR-ESFG) spectroscopy. K. Sekiguchi, S. Yamaguchi, T. Tahara 352. Ultrafast dynamics of intramolecular electron transfer in 2,7-dicyanospirobifluorene: Transient absorption anisotropy study. A. Khvorostov, P. Piotrowiak

Section B Morial Convention Center Hall A PHYS Poster Session—Multiscale Modeling in Biophysics Cosponsored by ACS Division of Physical Chemistry and AIChE Thermodynamics and Transportation Properties (Area 1a)

C. Clementi, G. A. Voth, and M. S. Shell, Organizers 7:30–10:00 353. Brownian dynamics simulations of enzyme-enzyme interactions and ligand transfer. N. Y. Forlemu, V. F. Waingeh, E. N. Njabon, K. L. Carlson, K. A. Thomasson 354. Canonical ensemble configurations for explicit water using a nondynamical buildup strategy. D. Bhatt, D. M. Zuckerman

355. Computational evidence for a proposed photoactive yellow protein signaling state. P. Ledbetter III 356. Dynamic mechanism for single base deletion mutation by a DNA polymerase. N. K. Banavali, J. Pata 357. Equilibrium sampling of polypeptides using a polymer-growth strategy. A. B. Mamonov, D. M. Zuckerman 358. Improving Monte Carlo atomic simulations with coordinate transformation. I. Vinogradov, P. W. Ayers 359. Low-frequency dynamics of proteins studied by terahertz time-domain spectroscopy. K. Tominaga, S. Kawaguchi, O. Kambara, M. Shibata, H. Kandori 360. Predicting functionally relevant motions in proteins: An overview of theoretical methods and their applicability to model small and large biomolecular systems. T. Mamonova, M. Kurnikova 361. Simulations of bilayers containing phosphoinositides, important signaling lipids. Z. Li, L. Rogers, R. Venable, D. Murray, R. W. Pastor 362. Gas phase and solution acidities: Amino acids. E. C. Chen, E. S. Chen, H. Keith, M. Sabbagh 363. Spectral tuning mechanism in rhodopsin and its mutants: A QM/MM study. A. Altun, S. Yokoyama, K. Morokuma 364. Theoretical calculation of metalloprotein redox potential based on experimental 3-D structures. H. Li, D. Si, N. M. Thellamurege 365. What if all the king’s men could put Humpty Dumpty back together again? J. M. Mullin, M. A. Collins, M. S. Gordon

Section C Morial Convention Center Hall A PHYS Poster Session—General Experiment

L. J. Butler, Organizer 7:30–10:00 366. Characterization and reactivity of Mo6S8+ on Au (111) via size-selected deposition. M. J. Patterson, J. M. Lightstone, M. G. White 367. Characterization of stoichiometric and nonstoichiometric hydroxyapatite by Raman spectroscopy. F. D. Hardcastle, Z. Li, A. S. Biris 368. Characterization of the unusual phospholipid BMP: A membrane morphology and acyl-chain dynamics study. T. E. Frederick, C. E. Mair, G. E. Fanucci 369. CuC3 copper-carbon cluster: Structures and infrared frequencies. Y. Wang, J. Szczepanski, M. Vala 370. Deuterium adsorption in microporous self-assembled dinuclear metal-organic framework material. J. Kombarakkaran, T. Pietrass, I. Cruz-Campa, J. C. Noveron, A. M. Arif 371. Diffusion of flame retardants in polystyrene: Simulations and measurements with synchrotron X-ray tomography. H. Barnett, C. McFerrin, R. W. Hall, L. G. Butler 372. Direct observation of proton transfer at cryogenic temperatures. M. Anderson, M. Gregory, G. Smith, T. P. Causgrove 373. Effect of local solvent environment on molecular electronic oscillator strengths in supercritical xenon. B. J. Hrnjez, J. J. Hefter, J. A. Saperia 374. Electron transfer dynamics from organic dyes to semiconductor nanocrystalline films. D. Stockwell, J. Huang, A. Boulesbaa, Z. Zhang, T. Lian


TECH–113

TECHNICAL PROGRAM

PHYS 375. Fabrication and modification of c-SiC thin film: Resistance to nonspecific protein adsorption for biosensing. R. Zhang, G. Qin, B. Makarenko, J. W. Rabalais, C. Cai 376. HIV-1 Protease flap region sensitivity to solution viscosity and osmotic pressure. L. Galiano, G. E. Fanucci 377. Infrared spectroscopy of transformic acid in solid parahydrogen. L. O. Paulson, D. T. Anderson 378. Withdrawn. 379. Ion-molecule reactions over very wide temperature range employing a multipole Rf ion trap. M. A. Smith, G. Y. Tikhonov, D. Gerlich 380. Kinetic study of phenethyl alcohol under triphase catalytic conditions. N. Shabestary, D. N. Reed 381. Low temperature spectroscopic studies of acetylene-water ices relevant to astrophysical environments. S. S. Travis, R. F. Ferrante, M. H. Moore 382. Measurement of the coil-to-helix transition in poly-L-glutamic acid via temperature derivative spectroscopy. M. Gregory, M. Anderson, M. Griffith, T. P. Causgrove 383. Orientation of dye molecules on TiO2 films as determined by second harmonic and sum frequency generation. B. Wu, C. L. Anfuso-Cleary, T. Lian 384. Photochemical control of the reactivity of tetraaza-tetrapyridopentacene toward the activation of small molecules: An experimental and computational study. Z. Denkins, W. Guo, J. A. Bartz, S. O. Obare 385. Photoinduced desorption of O2 and photooxidation of organics from TiO2(110) surfaces. D. Sporleder, D. P. Wilson, M. G. White 386. Photophysical properties of acridine 9-carboxylic acid in aqueous solutions studied by photoacoustic calorimetry and photothermal beam deflection. D. Lockney, J. Miksovska 387. Photophysical properties of novel azuliporphyrins. J. Brgoch, D. L. Cedeño 388. Photophysics of a xanthenic derivative dye useful as “on/off” fluorescence probe. L. Crovetto, J. M. Paredes, R. Rios, P. Lozano-Velez, E. M. Talavera, J. M. Alvarez-Pez 389. Photosensitized singlet oxygen production from DNA bases. N. Gandra, P. Tiyyagura, R. Gao 390. Photothermal studies of ligand photolysis from two heme peroxidases. A. Mokdad, R. Larsen 391. Photovoltaic response of nitrogen-doped TiO2 films. W. Feng, L. Jiang 392. Polarized emission spectroscopy of methyl disulfide. M. R. Wedlock, R. Werk, C. Kotyk, A. Cohn 393. Probing the conformations of 1-butyl-3methylimidazolium chloride by Raman spectroscopy. J. Su 394. Rotational spectra and computational studies of weakly bound fluoromethane complexes. M. M. Serafin, R. A. Peebles, S. A. Peebles 395. Stabilizing of deoxyoligonucleotide duplexes by base stacking. L. Blau, D. Estes, N. Seleski, S. A. Guigui 396. Structural dynamics of the photoisomerization of ruthenium bipyridine methylsulfonylbenzoate. C. Keating, S. R. G. Naraharisetty, B. A. McClure, J. J. Rack, I. V. Rubtsov 397. Study of mobility, surface area, and sintering of agglomerates using tandem differential mobility analyzer. K. Cho, H. Chang, H. D. Jang, C. J. Hogan Jr., P. Biswas 398. Study on electrochemical reduction behavior of FeCl3 in ionic liquid 1-ethyl-3methylimidazolium bromine. X. Yang Sr., J. Wang Sr., G. Li, Z. Zhang, Y. Shi 399. Time-resolved resonance Raman study of the structure and reactions of benzoate electron-adducts in water. D. M. O’Donnell, G. N. R. Tripathi 400. To concentrate the solutions of electrolytes by ion exchange method. B. Ahmedov, J. Bahriev 401. Ultrahigh sensitivity rapid-exchange, time-gated Tb3+ detection. M. F. Homsher, B. S. Hudson

114–TECH

402. Using difference infrared spectroscopy to study the effects of salt and pH on nucleotide binding to phosphoglycerate kinase. J. N. Campbell, G. MacDonald 403. Volumetric and viscometric properties of potassium dichromate + potassium chromate + water ternary mixtures. W. Yan, W. An Jr., Z. Peng, R. Zeng, W. Chang 404. Weak hydrogen bonding interactions in aqueous triethylamine hydrochloride probe by high pressure methods. C-Y. Chang, H-C. Chang 405. Xenon, laughing gas and cytochrome P450: Spectroscopic studies of inhaled anesthetics and their putative targets. A. F. Grimes, J. C. Lee

Section D Morial Convention Center Hall A PHYS Poster Session—Nanostructured Materials and Nanophotonics

P. Yang, S. K. Gray, X. Peng, and G. P. Wiederrecht, Organizers 7:30–10:00 406. Controlled growth of carbon nanotubes on the high surface area magnesium oxide by RF CCVD. Y. Xu, A. S. Biris, Z. Li, E. Dervishi, V. Saini, O. D. Oshin, A. R. Biris, D. Lupu 407. High quality double wall carbon nanotubes synthesized by RF chemical vapor deposition. A. R. Biris, D. Lupu, A. Grüneis, P. Ayala, M. Rümmeli, T. Pichler, Z. Li, I. Misan, E. Dervishi, A. S. Biris 408. Cytotoxicity of nanostructural materials in MLO-Y4 bone cells. M. Mahmood, K. Vyas, L. I. Plotkin, E. Dervishi, Z. Li, M. Abd Al-Muhsen, T. Bellido, A. S. Biris 409. Design and fabrication of 2-D and 3-D SERS platforms. V. Guieu, N. Marquestaut, S. Varma, B. Galarreta, L. Servant, D. Talaga, N. Sojic, F. Lagugné-Labarthet 410. Influence of a resonant solvatochromic dye on the localized surface plasmon resonance. J. M. Bingham, K. A. Willets, A. N. Semyonov, R. J. Twieg, R. P. Van Duyne 411. Mesoscopic devices for chemoelectronic sensing. A. Chaparadza, S. B. Rananavare 412. Microfluidic device for high-throughput screening of protease specificity utilizing fluorescent resonance energy transfer. M. S. Bonner, J. Fretwell, T. L. Selby, A. J. Gesquiere 413. Morphology and molecular weight of poly(2,6-dimethyl-1,4-phenylene oxide). R. Bouldin, K. Saito, S. K. Manohar 414. Nanocomposites of carbon nanotubes and polyanilines. V. Dua, X. Zhang, S. K. Manohar 415. Nonlinear imaging and spectroscopy of ZnO nanostructures. R. L. House, B. Mehl, A. Uppal, C. Zhang, A. Reams, J. M. Papanikolas 416. Simultaneously encoding multiple frequencies and amplitudes in porous silicon Rugate filters. R. Estler, D. Ladd 417. Single molecule charging of redoxgradient dendrimers in mixed films: Toward molecular scale information storage. C. Chotsuwan, S. C. Blackstock 418. Single photon emission behavior from indium phosphide nanoparticles. K. A. Meyer, W. B. Whitten, R. W. Shaw, K. Ng, T. Zeng 419. Single-crystalline neodymium hexaboride nanostructures. G. Wang, J. R. Brewer, B. C. L. Cheung 420. Solvent effects on the molecular selfassembly of benzene carboxylic acid derivatives. G. M. Florio, K. A. Stiso, J. S. Campanelli 421. Sonochemical synthesis of nanobiopolymers. M. A. Jothi Rajan 422. Spectroscopic probes for determining extent of functionalization of carbon nanotubes. C. Collison, M. J. O’ Donnell, J. Alexander, D. Skinner 423. Structural characteristics of hydrocarbon cages: From fulleranes to icosahedral diamondoids. M. Linnolahti, A. J. Karttunen, T. A. Pakkanen

424. Studies of trapped holes in reduced oxygen and water condition. J. Suk, R. E. Palacios, F-R. F. Fan, J. K. Grey, A. J. Bard, P. F. Barbara 425. Study of the interfacial chemistry of a surface modified carbon nanotube dispersed in an epoxy resin. B. Batts, D. R. Dean, P. Leggett-Robinson 426. Study on the kinetics of monodisperse iron oxide nanocrystal formation. S. G. Kwon, T. Hyeon, Y. Piao 427. Study on the photocatalytic behavior of Fe3+ doped TiO2 nanopowder. X. Yang Sr., J. Wang Sr., G. Li Sr., Z. Zhang, Y. Shi 428. Synthesis and application of electrically conductive gold nanowires on DNA using microwave approach. S. Kundu, H. Liang 429. Synthesis and characterization of conical pores for controllable deposition and patterning of molecules onto substrates. B. Mitrovic, R. Zakeri, C. Trautmann, P. Kohli 430. Synthesis and characterization of porphyrin complexes grafted on multiwalled carbon nanotubes. J. Jin, J. Ma, Z-L. Xue 431. Synthesis kinetics, characterization, and functionalization of gold nanoparticles for biomolecular detection applications. P. H. Davis, J. Ebel, D. J. Hibbard 432. Synthesis of a nanostructured silica device for use in the controlled drug delivery of dopamine in the central nervous system. T. López, D. M. Esquivel, R. D. Gonzalez 433. Synthesis of colloidal silver nanocrystals and their 3-D superlattices. R. Shankar, T. P. Bigioni 434. Synthesis of palladium and platinum chalcogenide nanoparticles via cation exchange reaction. S. E. Wark, D. H. Son 435. Synthesis of shaped-controlled ZnO and copper indium sulfide nanocrystals: Nanostructured materials. S. H. Choi, T. Hyeon 436. Synthesis of size selected transition metal oxide nanostructured particles. M. P. Tolocka 437. Synthesis of uniform goethite nanotubes with parallelogram cross section. T. Yu, J. Park, J. Moon, T. Hyeon 438. Templated nanoscale magnetic materials: Nanosphere lithography-derived patterns. S. Ye, R. L. Carroll 439. The annealing temperature effect on the structural, optical and morphological properties of TiO2 thin film. L. Andronic, A. Duta 440. 3-D Structure of helical and zig-zagged nanowires using electron tomography. H. S. Kim 441. TiO2/SiO2 nanocomposites for decontamination of air in a monolith photocatalytic reactor. A. Eliyas, V. Iliev, L. Spasov, G. Li Puma 442. Toward new techniques for trapping single molecules in phospholipid films. J. J. Feng, C. A. Carlson, J. C. Woehl 443. Tuning surface reactivity via quantum size effect. X. Liu, H. Guo, W. Li 444. Two-photon photosensitized singlet oxygen production from colloidal TiO2 solution. W. Li, N. Gandra, S. N. Courtney, R. Gao 445. Ultrafast coherent plasmon dynamics of individual metal nanostructures. A. Kappus, C. C. Neacsu, M. B. Raschke 446. Waveguide lens design based on metaldielectric-metal multilayer structure. H. Ma, S. Zhang, N. Fang 447. Absolute molecular weight of poly-otoluidine. S. Surwade, H. Kolla, S. K. Manohar 448. Development of photonic crystal fiber optical tips for near-field imaging and single molecule manipulations. C. A. Carlson, J. C. Woehl


449. Exceptionally reactive Pt-BHA nanocomposite catalysts for CO oxidation. Y. Zhang, S. Natesakawat, T. Sanders, C. Matranga, G. Veser 450. Fabrication of metal nanoparticle-nanofiber composites via one-step electrospinning. C. D. Saquing, J. L. Manasco, S. A. Khan 451. High throughput electrospinning of polymer melts and concentrated solutions. J. L. Manasco, C. D. Saquing, S. Talwar, J. P. Hinestroza, S. A. Khan 452. Aggregation kinetics of novel carbon nanotube and ruthenium metallodendrimer supramolecular assemblies. A. Giordano, J. C. Poler 453. All-optical observations of electrochemical reactions within Au-YSZ nanocomposite films. M. Carpenter, P. H. Rogers, G. Sirinakis 454. Anomalous photoluminescence in CdSe quantum dot solids at high pressure due to nonuniform stress. C. D. Grant, J. C. Crowhurst, S. Hamel, N. Zaitseva, A. Williamson 455. Antifouling potential of functionalized copper nanoparticles. K. C. Anyaogu, A. V. Fedorov, D. C. Neckers 456. Artificial molecules. S. L. Sewall, R. R. Cooney, D. Sagar, P. Kambhampati 457. Batch vs. flow mode DLS metrology: The effect on nanoparticles size. J. D. Clogston, J. Zheng, S. E. McNeil, A. K. Patri 458. Characterization and application of self-assembled virus-like particles with magnetic cores. X. Huang, L. M. Bronstein, J. R. Retrum, H. Cheng, L. Stanciu, C. Dufort, I. Tsvetkova, S. E. Aniagyei, B. D. Stein, G. D. Stucky, N. B. Remmes, B. Dragnea 459. Charging and discharging of single F8BT nanoclusters in hole-injection devices. R. E. Palacios, T. Adachi, A. Rival, P. F. Barbara 460. Chemical methods for the hydrogen termination of silicon dangling bonds. J. L. Pitters, I. A. Dogel, S. A. Dogel, G. A. DiLabio, R. A. Wolkow 461. Cl adsorption on Si(111)-√3x√3- Ag surface from first principles. X. Liu, H. Guo, C. Meng 462. Computational modeling of rigid ruthenium dendrimers interacting with carbon nanotubes. S. N. Rosse, J. C. Poler 463. Conducting parent polythiophene nanofibers. X. Zhang, S. Surwade, V. Dua, R. Bouldin, N. Manohar, S. K. Manohar 464. Creation of sol-gel encapsulated nanoshell substrates for SERS sensors. Y-J. Lin, P. Gala, S. W. Bishnoi 465. DFT study for CCl4 adsorption on Ag(111) surface. X. Liu, H. Guo, C. Meng 466. Effect of interfacial chemistry on the cure behavior of epoxy mwcnt nanocomposites. M. A. Abdalla, D. R. Dean 467. Electron transfer at single CdSe/ZnS quantum dot/adsorbate interface. A. Issac, S. Jin, T. Lian 468. Elemental nanostructures of phosphorus and arsenic. A. J. Karttunen, M. Linnolahti, T. A. Pakkanen 469. Emission quenching studies of CdS nanoparticles molecularly linked to TiO2: Influence of linker length on interfacial electron transfer yield. R. S. Dibbell, D. F. Watson 470. Energetic relaxation of excitons prepared within single CdSe quantum wires. R. A. Loomis, J. J. Glennon, D. A. Bussian, H. Htoon, V. I. Klimov, R. Tang, W. E. Buhro 471. Energy transfer and selective hole injection in blended conjugated polymer nanoparticles. Y-L. Chang, W-S. Chang, F-R. F. Fan, R. E. Palacios, A. J. Bard, P. F. Barbara 472. Enhanced propagation lengths for surface plasmons in an asymmetric plasmonic waveguide. J. M. Montgomery, S. K. Gray 473. Enhancing functions of silver nanoparticles on the photoluminescent properties of europium complex. Y. Wang, T. Wang, J. Zhou


PHYS 474. Enhancing separations with nanoparticles. H. R. Bednar, A. J. Haes 475. Epoxy/CNT nanocomposites with controlled interfaces. D. R. Dean, J. Tipton, S. Subramanain 476. Gold-coated magnetic nanoparticles for optical signal enhancement. E. R. Fox 477. Growing Pt nanowires as a densely packed array on metal gauze. E. P. Lee, Y. Xia 478. Growth mechanism of highly luminescent ZnO nanoparticles. E. Ruane, T. S. Ahmadi, A. Turner 479. Growth process of single walled carbon nanotubes from metal cluster: Density functional tight-binding molecular dynamics simulation. Y. Ohta, Y. Okamoto, S. Irle, K. Morokuma 480. Hierarchically structured precipitation tubes: Physical characterization and catalytic properties. J. J. Pagano, T. Bansagi Jr., O. Steinbock 481. Formation of precipitation tubes in reverse silica gardens. J. J. Pagano, T. Bansagi Jr., O. Steinbock 482. Hollow gold-silver double shell nanospheres: Structure, optical absorption, and surface-enhanced Raman scattering. T. Y. Olson 483. In situ observation of heterogeneous growth of CdSe and the effects of indium doping on the growth kinetics. C. J. Tuinenga 484. In situ growth of semiconductor nanocrystals on carbon nanotubes and their application as novel solar cell and amperometric glucose sensor materials. Y. Na 485. Induced infrared spectral enhancement in doped TiO2. T-H. Wang, R. Craciun, D. A. Dixon, J. L. Gole 486. Influences of the active species dispersion and the Fe-Co interactions on the growth of carbon nanotubes. Z. Li, E. Dervishi, V. Saini, Y. Xu, A. R. Biris, D. Lupu, S. Trigwell, A. S. Biris 487. Interfacial hole traps in conjugated polymer thin films. K-J. Lee, L. Fradkin, P. F. Barbara 488. Interfacial influences on metallic nanoparticle optical properties at high temperatures in Au-YSZ nanocomposites. P. H. Rogers, G. Sirinakis, M. Carpenter 489. Ionic screening of nanoparticles for maximum surface enhanced Raman scattering . T. O. Friday, A. J. Haes 490. Mechanically robust ordered nanocomposites exhibiting NIR Bragg diffraction. S. Kulkarni, S. Wunder 491. Metal nanoparticle-loaded Al2O3 microtubes by atomic layer deposition on nanofiber composite templates. C. D. Saquing, Q. Peng, G. N. Parsons, S. A. Khan 492. Multiscale fiber reinforced composites using a carbon nanofiber/epoxy nanophased matrix: Processing, properties, and thermomechanical behavior. K. J. Green, D. R. Dean 493. Nanocanal arrays decorated with metal nanoparticles for surface-enhanced Raman spectroscopy. H. Ko, V. V. Tsukruk 494. Nanocapsules of iron oxide nanoparticles. C. C. Ferraioli, A. Dusel, T. S. Ahmadi 495. Nanomaterials enabled chemical sensors: Development of a hydrocarbon sensor. M. Arrandale, Z. Zhao, O. Vassiltsova, M. A. Petrukhina, M. Carpenter 496. Nanoscale Raman imaging using a dual atomic force/near-field scanning optical microscope. K. A. Meyer, K. L. Shuford, W. B. Whitten, R. W. Shaw 497. Nanostructured graphitic carbon/crystalline transition metal oxide composite using a diblock copolymer as a carbon precursor. J. Lee, M. Stefik, S. C. Warren, F. DiSalvo, U. Wiesner 498. Nanostructured inorganic/organic materials for photovoltaic applications. J. P. Schmidtke, P. F. Barbara 499. Nanostructured polyurethane biomaterials and protein adsorption and platelet adhesion on surfaces. L-C. Xu, P. Soman, J. Weksler, A. Padsalgikar, J. Runt, C. A. Siedlecki 500. Nd3N@C2n and Pr3N@C2n (40 {le} n {le} 54) Clusterfullerene families: Isolation and characterization of the largest metallofullerenes. M. N. Chaur, F. Melin, B. Elliott, A. J. Athans, L. Echegoyen

501. Novel 3-D manufacturing paradigm: Interactions of carbon nanotubes and photosensitive ruthenium complexes. H. Chaturvedi, J. C. Poler 502. Oxidation characteristics of single molecule MEH-PPV with a high energy hole transport layer. J. C. Bolinger, K. J. Lee, P. F. Barbara 503. Photoresistivity of aligned and random carbon nanotube networks. J. D. Shah, L. E. Roberts, J. Springs, J. C. Poler 504. Photoelectrochemical hydrogen production utilizing metal oxide nanomaterials. A. Wolcott, T. Kuykendall, W. A. Smith, Y. Zhao, J. Z. Zhang 505. Photoemission studies of lead sulfidepolymer nanocomposites. A. T. Wroble, D. J. Asunskis, A. M. Zachary, I. L. Bolotin, L. Hanley 506. Photopolymerization of conductive metal nanoparticles. X. Cai, K. C. Anyaogu, D. C. Neckers 507. Physico-chemical characterization of nanomaterials for cancer diagnosis, imaging, and therapy. J. D. Clogston, J. Zheng, U. Ramalinga, S. E. McNeil, A. K. Patri 508. Polyaniline microspheres-supported molybdenum catalyst for epoxidation of alkenes. H. Ding, G. Wang, Y. Mu, Y. Luan, Y. Wang, X. Yao 509. Polythiophene/carbon nanotube composites as electromechanical actuators: Prospect as artificial muscle. A. U. Shaikh, E. Dervishi, Z. Li, A. S. Biris 510. Preparation and characterization of composite P3HT/PCBM nanoparticles. Z. Hu, A. J. Gesquiere 511. Preparation and surface activity of single crystalline NiO(111) nanosheets with hexagonal holes. J. Hu, L. Chen, Z. Li, K. Zhu, R. M. Richards 512. Quantification of PEG-folate monolayers on gold nanoparticles for targeted cancer therapy. Y. Huang, Y-J. Lin, S. W. Bishnoi 513. Rational design and controlled fabrication of sub-50 nm gold nanoparticle aggregate clusters. N. L. Rosi 514. Reversible supramolecular assembly of functionalized nanoparticles onto and from Molecular Printboards. X. Y. Ling, L. Malaquin, D. N. Reinhoudt, H. Wolf, J. Huskens 515. Selective immobilization of lipid bilayers at nanopores in free-standing polymer membranes fabricated via nanoimprint lithography. J. Choi, A. Roychowdhury, S. Park 516. Selective synthesis of metallic nitride fullerene nanomaterials. S. Stevenson, C. Coumbe, J. P. Phillips 517. 2-D Crystallization of microspheres by drop drying. L. M. Sanzenbacher, T. P. Bigioni 518. Catalytic performance of mesoporous Cr/MSU-x catalyst during the dehydrogenation of isobutane to isobutene under carbon dioxide. L. Liu, H. Li, Y. Zhang 519. Frequency domain existence proof of single molecule surface-enhanced Raman spectroscopy. J. A. Dieringer, R. P. Van Duyne 520. Nanoindentation study of thin film molecularly imprinted polymers. S. E. Campbell, J. J. BelBruno 521. Tunneling spectroscopy of semiconductor nanocrystals in superlattices. B. Grandidier, K. Overgaag, C. Delerue, D. Vanmaekelbergh 522. Morphology studies of nanoparticles composed of poly[2-methoxy-5-(2-ethylhexyl-oxy)-p-phenylenevinylene] (MEHPPV) and MEH-PPV doped with 1-(3methoxycarbonylpropyl)-1-phenyl-[6.6]C61 (PCBM). D. Tenery, A. J. Gesquiere


Section E Morial Convention Center Hall A PHYS Poster Session—General Theory

L. J. Butler, Organizer 7:30–10:00 523. Impedance studies on polycarbazole bioelectrodes: Evidence of an electrodeside nonlinearity quantifiable by a Hamiltonian quaternion formalism that preserves Kramers-Kronig relations. M. Ovadia, D. H. Zavitz, Y. P. Kayinamura, J. F. Rubinson 524. A-H bond dissociation energies: Trends across the periodic table and halogen substituent effects. W-J. van Zeist, M. Swart, F. M. Bickelhaupt 525. Ab initio computation of a 6-D LiH + H2 potential energy surface. B. K. Taylor 526. Ab initio modeling of carbohydrates: On the proper selection of computational methods and basis sets. U. Schnupf, J. L. Willett, W. B. Bosma, F. A. Momany 527. Ab initio simulation of the 2-D vibrational spectrum of dimanganese decacarbonyl. N. K. Preketes, P. L. McRobbie, E. Geva 528. Aromatic and antiaromatic rings in the same molecule: How do the moieties of the rings affect the bridging CC bonds. D. B. Lawson, S. Spaulding 529. Behavior of time step error in quantum Monte Carlo studies of model rigid rotor systems. M. C. Wilson, R. J. Hinde 530. Benchmark calculations of the heats of formation and electron affinities of transition metal fluorides and hydrides. R. Craciun, S. Li, D. A. Dixon 531. Calculation of the heat capacity of K2. L. Biolsi 532. Consequences of high-dimensionality on quantum Monte Carlo simulations. B. Magnusson, R. J. Hinde 533. Determining of strongly interacting spin exchange path and spin lattice of PbCu2(PO4)2. H-J. Koo 534. Determining the enthalpy of formation of cyclohexadienyl radical and the carbonhydrogen bond enthalpy of 1,4-cyclohexadiene by the n-homodesmotic reaction model. E. C. Garrett III, A. K. Wilson, T. Cundari, N. DeYonker 535. Diffusive anomaly of water in aqueous sodium chloride solutions at low temperatures. J. S. Kim, A. Yethiraj 536. Dissociation and isomerization of B2Hx on Pt (111). N. F. Sullivan, J. Liu, Q. Ge 537. Dual-basis methods: Cation-⌸ effects in fullerene systems. R. P. Steele, R. A. DiStasio Jr., M. P. Head-Gordon 538. Effect of hydration number on the freezing-point depression equation. M. A. O’Brien, K. W. McLaughlin 539. Evaluation of novel DFT methods for dispersion-like forces in protein-ligand systems. L. R. Hofto, M. McKenna, M. Cafiero 540. Experimental and theoretical studies of cyclophane-PAH interactions. T. Buthelezi, C. Davies 541. Gold clusters: Convergence of the n-body expansion of the interaction energy. A. Hermann, R. P. Krawczyk, M. Lein, P. Schwerdtfeger, I. P. Hamilton, J. J. P. Stewart 542. Improvement of CCSD correlation energies through scaling same-spin and opposite-spin components of the double excitations. E. G. Hohenstein, T. Takatani, C. D. Sherrill 543. Modeling intermolecular interaction: Exchange-repulsion based on localized molecular orbitals. D. Si, H. Li 544. Modeling intermolecular interactions: Transferability of electric multipole moments and dipolar polarizabilities of amino acid residues. N. M. Thellamurege, H. Li 545. Molecular thermodynamic model of excess volume for binary systems. W. Chang, W. Yan, W. An Jr., Z. Peng, R. Zeng 546. Oscillatory/excitable boundary in the Belousov-Zhabotinsky reaction: The Showalter-Noyes limit, scaling and universality. H. M. Hastings, R. J. Field, S. G. Sobel, D. Bongiovi, B. Burke, D. Miller, D. Richford

547. Replica exchange simulations of helical stabilization in the yap1 protein. L. S. Ahlstrom, C. M. McCallum 548. Rotational quenching of NH3 by collision with He. B. Yang, P. C. Stancil 549. Simulation of the ErbB-2 transmembrane domain embedded in mixed DMPC-DDPC bilayer. F. Yin, J. T. Kindt 550. Single particle tracking studies of G protein-coupled receptors. J. J. Drinane, G. B. Barisas, D. A. Roess, S. Xu, A. Wolf, P. Winter 551. The role of ions in atmospheric nucleation. H. Kim, S. J. Keasler, R. B. Nellas, B. Chen 552. Transition state barriers in multidimensional Marcus theory. J. Zwickl, N. Shenvi, J. R. Schmidt, J. Tully 553. Two-electron DFT methods for modeling dispersion interactions. L. M. Culberson, M. Cafiero

Section F Morial Convention Center Hall A PHYS Poster Session—Computational Spectroscopy and Reaction Dynamics

H. B. Schlegel, K. Raghavachari, J. Zhang, and M. Head-Gordon, Organizers 7:30–10:00 554. Theoretical study on reactions of ground state boron atom with ethylene (C2H4), allene (H2CCCH2), and methylacetylene (CH3CCH). C. H. Huang, C. H. Kao, H. L. Sun, A. H. H. Chang, R. I. Kaiser 555. Rotational and vibrational energy levels of the H-/H2 dimer using coupled cluster calculations and quantum Monte Carlo methods. P. K. Moehlen, R. J. Hinde 556. Rydberg states and dissociation dynamics of hydroxyethyl radicals. L. W. Edwards, H. Reisler 557. Solvent effect on optical properties of acetone: A time-dependent density functional theory approach combined with the effective fragment potential method. S. Yoo, F. Zahariev, M. S. Gordon 558. Spectroscopy of multiply charged metal ions: Infrared studies of Mn2+(18-crown6)(CH3OH)1-3. J. D. Rodriguez, J. M. Lisy 559. Synthesis and infrared characterization of Br-HBr and Br-DBr entrance channel complexes in solid parahydrogen. S. C. Kettwich, D. T. Anderson 560. Theoretical modeling of organic molecules for X-ray absorption spectroscopy. C. Chen, D. C. Edwards 561. Theoretical studies of the activation of small hydrocarbons (CxH2x+2: x=1,2,3) by chromium oxides (CrOn: n=0,+1). F. Nanguy, T. J. Dudley 562. Theoretical study of the H+CH4 and H+C2H6 reactions. J. P. Layfield, D. Troya 563. Theoretical study on luminescent dinuclear coinage metal(I) complexes containing N,N’-dimethylimidazol-2-ylidene ligand. M. F. Tsai, T. W. Ho, I. J. B. Lin, A. H. H. Chang 564. Theoretical study on luminescent dinuclear coinage metal(I) complexes containing pyridine ligand. Y. S. Wang, T. W. Ho, I. J. B. Lin, A. H. H. Chang 565. Theoretical study on luminescent dinuclear coinage metal(I) complexes: (N,N’-dimethylimidazol-2-ylidene)(carbazolate) M(I) (M = Au, Ag, Cu). L. G. Gao, S. H. Chen, C. H. Kao, I. J. B. Lin, A. H. H. Chang 566. TiAl3: Structure and its interaction with hydrogen. J. Yu, J. Liu, Q. Ge 567. Torsion-stretch coupling in the OH spectrum of cis-cis HOONO. M. K. Sprague, A. B. McCoy, A. K. Mollner, M. Okumura 568. Tunneling splitting in H-atom transfer in malonaldehyde on ab initio potential energy surfaces. Y. Wang, B. J. Braams, J. M. Bowman 569. Unimolecular dissociation dynamics of the methylsulfonyl radical using velocity map imaging. X. Tang, B. Alligood, B. Ratliff, D. E. Szpunar, E. J. Glassman, L. J. Butler, K-C. Lau 570. Vacuum ultraviolet excitation spectroscopy of autoionizing Rydberg states of atomic sulfur in the range of 73,35084,950 cm−1. X. Yang, J. Zhou, B. Jones, C. Y. Ng, W. M. Jackson

TECH–115

PHYS 571. Vibrational state-dependent predissociation dynamics of ClO (A 2{pi}3/2): Insight from the final correlated state branching ratios. K. S. Dooley, J. N. Geidosch, H. Kim, G. C. Groenenboom, S. W. North 572. Vibrationally-corrected hyperfine parameters for isotopically substituted group 6A hydride radicals: Computational studies. R. M. Macrae 573. Ab initio calculation of 1H–29Si coupling constants in organoalkoxysilanes. S. E. Rankin, J. Ambati 574. Charge distribution and structure of maximum spin LinX (n=2-7, X=Li and Na) clusters. S-Y. Chu 575. Kinetics of synthesis of the ionic liquid 1-butyl-3-methylimidazolium bromide. J. Wang Sr., X. Yang Sr., G. Li Sr., Z. Zhang, Y. Shi, L. Luan 576. Quasiclassical trajectory calculations of the OH+NO2 association reaction. C. Chen, B. C. Shepler, B. J. Braams, J. M. Bowman 577. Reactions of small carbon-bearing radicals with unsaturated hydrocarbons: Product detection and low temperature kinetics. A. J. Trevitt, F. Goulay, S. R. Leone 578. Probing the O(3P) + allyl radical product channels via unimolecular photodissociation. B. L. FitzPatrick, K-C. Lau, L. J. Butler, J. J. Lin 579. 13C chemical shielding calculations of actinide complexes. A. M. Orendt, X. Guo, J. Facelli 580. Withdrawn. 581. A quantum chemical investigation for cage structure of silsesquioxane based on [(3-methacryloxy)propyl]trimethoxylsilane. L. Hu, D. Wang, C. Song, Y. Song, Y. Liu 582. An implementation of meta-GGA type of density functionals. F. Zahariev, S. Sok, M. S. Gordon 583. Assessing the performance of density functional theory on metal-salen catalysts: 3d6 and 4d6 metal centers. T. Takatani, J. S. Sears, C. D. Sherrill 584. Collisional quenching of OH A 2⌺+ by molecular hydrogen: OH X 2⌸ Product state distribution and branching between reactive and nonreactive pathways. L. P. Dempsey, C. Murray, P. A. Cleary, M. I. Lester 585. Computational studies of C{alpha}-D vibrational probes in dipeptides. E. A. Ploetz, C. S. Miller, B. A. Lindquist, S. A. Corcelli 586. Computational study of structural modifications to a novel class of paramagnetic chemical exchange saturation transfer (PARACEST) agents. W. A. Miller III, Z. Liu, V. Pophristic 587. Dissociation dynamics of the HOOO radical upon IR excitation: Nature of chemical bonding. C. Murray, E. L. Derro, T. D. Sechler, M. I. Lester 588. Electronic excited state properties of organic hydroperoxides. A. Melnichuk, R. J. Bartlett 589. Examining the Jahn Teller and pseudoJahn Teller effects in the nitrate radical. K. Takematsu, M. Okumura, J. F. Stanton 590. Formation of complex polycyclic cations by reactions of benzene and pyridine radical cations with acetylene. P. Momoh 591. Formation of covalent structures in ionic acetylene clusters. R. A. Relph, J. R. Roscioli, J. C. Bopp, M. A. Johnson 592. Formation of interstellar HCCCCC via reaction of ground state carbon atom and diacetylene, HCCCCH. C. Y. Huang, B. J. Sun, H. H. Kuo, K. T. Chen, H. L. Sun, C. H. Huang, M. F. Tsai, C. H. Kao, Y. S. Wang, L. G. Gao, R. I. Kaiser, A. H. H. Chang


116–TECH

TECHNICAL PROGRAM 593. Infrared spectra and ab initio calculations of K+(Tryptamine)(H2O)n=1-5. A. L. Nicely, D. J. Miller, J. M. Lisy 594. Investigating excited state dynamics in 7-azaindole. M. B. Beernink, N. R. Erickson, N. K. Swenson, J. M. Smith 595. Modeling circular dichroism of some high-symmetry chiral molecules: ADF and Gaussian calculations. C. Trindle, Z. Altun 596. Neutral-neutral reaction of ground state carbon atom with triacetylene, HCCCCCCH: Formation of interstellar 2,4,6-heptatriynylidyne, HCCCCCCC. B. J. Sun, R. I. Kaiser, A. H. H. Chang 597. Nuclear hyperfine interactions in the open shell complexes O2-HF and O2-DF. S. Wu, G. Sedo, E. M. Grumstrup, K. R. Leopold 598. Phosphorylation effect on conformation of dipeptides: Various spectroscopic experiments and comparisons with computer simulations. K-K. Lee, M. Cho 599. Active-space equation-of-motion coupled-cluster methods for ground and excited states of radicals and other openshell species. J. R. Gour, P. Piecuch 600. An ab initio G3-type/statistical theory study of naphthalene and indene formation pathways originated from reactions of cyclopentadiene and cyclopentadienyl radical. V. V. Kislov, A. M. Mebel 601. An ab initio study of stability of lowest singlet and triplet states of aminofurazans. A. V. Gaenko, A. Devarajan 602. Comparing electronic structure calculations for the ground state dissociation of vinoxy radicals. D. I. G. Bennett, L. J. Butler, H-J. Werner 603. Crossed beam studies of the C + C2H2 and C2 + C2H2 reactions: Dynamics of C3, linear and cyclic-C3H, and C4H formation. P. Casavecchia, F. Leonori, R. Petrucci, K. M. Hickson, E. Segoloni, A. Bergeat, N. Balucani 604. Crossed molecular beam studies of radical-radical reactions: O(3P) + hydrocarbon radicals (CH3 and C3H5). P. Casavecchia, F. Leonori, E. Segoloni, R. Petrucci, N. Balucani, A. Bergeat, D. Stranges 605. Dynamics of the O + acetylene and O + ethylene reactions from crossed beam experiments with soft electron-ionization detection: Primary products and branching ratios. P. Casavecchia, F. Leonori, G. Capozza, E. Segoloni, N. Balucani, G. G. Volpi 606. Development of an open shell effective fragment potential. D. D. Kemp, M. S. Gordon 607. Dynamics simulations of the dissociation of vibrationally excited HOSO2 to OH and SO2: IVR, dissociation rates, and the OH + SO2 high pressure limit. D. R. Glowacki, M. J. Pilling, D. Shalashilin, E. Martinez Nunez 608. Electronic structure and ionization potentials of the hydroxymethyl and 1-hydroxyethyl radicals. K. Diri, B. Karpichev, H. Reisler, A. I. Krylov 609. General rule for the ionization behavior of alkyl and 1-alkenylperoxy radicals and the stability of their cations. G. Meloni, T. M. Selby, F. Goulay, S. R. Leone, D. L. Osborn, C. A. Taatjes 610. Heterogeneous catalytic oxidation of methyl pyridines. S. Bulku, C. Sittler, Y. Alkayeva, G. Zenkovetz, A. Shutilov 611. Macroconfiguration based approach for heavy element compounds: Implementation of relativistic generalized van Vleck perturbation theory (GVVPT3). A. Gaenko, A. Devarajan, R. Lindh, M. R. Hoffmann 612. Matching-pursuit split-operator Fouriertransform simulations of excited state intramolecular proton transfer in 2-(2hydroxyphenyl)-benzothiazole. Y. Wu, J. Kim, V. S. Batista, J-L. Brédas 613. Molecular structures, acid-base properties, electron affinities, and reactivities of transition metal oxide clusters. S. Li, D. A. Dixon

614. Optical properties in aqueous solution using the TDDFT/EFP1 method. S. Sok, S. Yoo, F. Zahariev, M. S. Gordon 615. Photodissociative studies of the propyn1-yl radical. P. E. Crider II, K. E. Kautzman, L. Castiglioni, D. M. Neumark 616. Potential energy curves determined by emission spectroscopy. C. R. Brazier, J. I. Ruiz, S. V. Parks, M. A. Tandoc 617. Solvent induced shifts in electronic spectroscopy. P. Arora, S. P. Webb, M. S. Gordon 618. Temperature dependence of the OH radical absorption spectrum in water. P. M. Hare, I. Janik, D. M. Chipman, I. Carmichael, D. M. Bartels 619. The low-lying potential energy hypersurfaces of N3. I. Kerkines, Z. Wang, K. Morokuma, P. Zhang 620. Ultrafast infrared spectroscopy of dilute HOD in aqueous salt solutions. Y-S. Lin, J. L. Skinner 621. Ultraviolet photodissociation dynamics of the propargyl radical. X. Zheng, Y. Song, J. Zhang 622. Vibronic simulations of the photoelectron spectrum of the NO3 radical. B. K. Dey

Section G Morial Convention Center Hall A PHYS Poster Session—Physical Chemistry of Atmospheric Processes

M. J. Elrod and J. Thornton, Organizers 7:30–10:00 623. Can DFT dissolve CO2 in water? J. Cross, K. Van Sickle, M. Cafiero 624. Kinetics and thermochemistry of reversible adduct formation in the Br + CH3C(O)CH=CH2 and I + CH3SCH3 reactions. D. Huskey, Z. Zhao, J. E. Allen, J. M. Nicovich, M. L. McKee, P. H. Wine 625. Quantum-mechanical treatment of the N+O2 and O+OH chemical reactions. R. A. Sultanov 626. Isotope effects in the photolysis of formaldehyde. E. J. K. Nilsson, V. Friis Andersen, H. Skov, S. Walter, T. Röckmann, M. S. Johnson 627. Laboratory measurements of CO2(␯2) + O and O3(v) + O vibrational energy transfer. K. J. Castle, M. W. Simione, L. A. Black, A. J. Brown, S. M. Rink, J. A. Dodd 628. Laser-induced fluorescence study of the Cl-atom initiated oxidation of biogenic carbonyl compounds. K. Takahashi, E. Iwasaki, T. Nakayama, Y. Matsumi, T. Wallington 629. Low NOx isoprene oxidation: Product yields and photolabile products. G. T. Drozd, A. Melnichuk, N. M. Donahue 630. Low-temperature ammonia ices: Structure and interactions with organic adsorbates. K. M. Strobush, J. E. Boulter 631. Withdrawn. 632. Organic acid characterization using thermal desorption chemical ionization mass spectrometry laboratory and field measurements. J. N. Smith, G. J. Rathbone 633. Organic molecules at the surface of sulfuric acid. J. M. Krier, G. M. Nathanson 634. Ozonolysis of unsaturated phosphocholines on NaCl/MgCl2 as a model for organics on sea salt particles. F. Karagulian, C. W. Dilbeck, B. J. Finlayson-Pitts 635. Photoenhancement of the reaction between ozone and chlorophyll at the air-water interface. D. Reeser, D. Clifford, C. George, D. J. Donaldson 636. Role of chemical content in water uptake processes of tropospherically relevant aerosol with diameters

235TH ACS NATIONAL MEETING - C&EN Global Enterprise (ACS

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