FINAL PROGRAM - C&EN Global Enterprise (ACS Publications)

FINAL PROGRAM

NATIONAL MEETING

221ST

San Diego, Calif., April 1-5

T

HE SPRING ACS NATIONAL MEET-

ing in San Diego will feature 27 of the society's technical divisions, two secretariats, and six committees participating in more than 750 technical sessions listed on the pages that follow. More than 7,700 papers will be presented. Seven areas of concentrated programming have been identified for this meeting. In the technical program that begins on page 68, symposia that fall within these themes are identified by a symbol that immediately

MEETING INFORMATION ON THE WEB: The most up-to-date and the official final version of the technical program is the Web version: http://www.acs.org/meet ings/sandiego2001/. The information on this site will be updated as the meeting nears. Because some locations may change after C&EN's press time, also be sure to pick up an on-site program booklet at the meeting.

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precedes the session title. A symbol key appears throughout the program. The exposition, a description of which begins on page 177, will be open Monday through Wednesday, with more than 250 companies and organizations displaying everything from instruments and books to computer hardware and scientific software. A unique Presidential Event series with the theme of professionalism and career development is planned to take place throughout the meeting. "You Only Thought You Were Retired-What's Next" is the first symposium in the series, and will be held on Sunday afternoon. 'The Professional Chemist and Certification" is an all-day session that will be held on Tuesday A complete discussion of these events and more is in the Preliminary Program (C&EN, Jan. 29, page 72). The awards reception, dinner, and ceremony honoring the recipients of the ACS national awards for 2001 will take place Tuesday evening in the Hyatt Regency San Diego. Fred Basolo, Charles E. & Emma H. Morrison Professor of Chemistry Emeri-

tus at Northwestern University, will deliver the Priestley Medal address that evening during the ceremony Classification of registrant MEMBER ACS member or national affiliate Member (emeritus) Member (retired) Graduate student, less than postdoctoral Undergraduate student Precollege teacher 50-year member Unemployed (NECH waiver) One-day registrant N0NMEMBER Chemical scientist (U.S. resident who is eligible for membership) Visitor, nonchemical scientist or chemical technician or non-U.S. resident Graduate student, Less than postdoctoral Undergraduate student One-day registrant Precollege teacher EXPOSITION VISITORS Adult Student

On-site fee $310 160 160 45 35 35 No fee No fee 160 $540

310

255 130 255 35 $35 10

HTTP: //PUBS. ACS.ORG/CEN

REGISTRATION Ύοιι can still register online even though advance registration closed on March 2. Attendees who register via the Internet using a credit card between March 3 and March 23 will pay the on-site registration fee, but will not have to stand in line onsite to register. Late registrants may pro ceed to the "Preregistration" counters at the San Diego Convention Center to pick up credentials (please bring confirmation letter) during the on-site registration hours listed below Faxed and mailed registration forms are not being accepted. On-site registration: Attendees may also register on-site at the San Diego Con vention Center. As an added service, ACS will provide self-registration counters along with the traditional "attended" registra tion counters. On-site registration fees apply On-site registration hours at the San Diego Convention Center are as follows: Saturday, March 31, 3 to 7 PM; Sunday, April 1,7:30 AM to 7 PM; Monday, April 2,7:30 AM to 5 PM;Tuesday, April 3,7:30 AM to 5 PM; Wednesday April 4,7:30 AM to 4 PM; and Thursday, April 5,7:30 AM to noon. Program booklets will also be available in the registration area.

CHANGES AND ADDITIONS TO SCHEDULED EVENTS TOURS Sunday, April 1 GP-1, 5:15 AM to 12:30 PM, Deep Sea Fishing $83 per person Great fishing exists all year round in the kelp beds just off the coast of Point Loma and La Jolla. There for the catch ing are barracuda, halibut, calico bass, kelp bass, and other varieties of ocean game fish. Experienced crew members are aboard each trip to assist you, and, if you wish, they'll introduce you to the ins and outs of fishing. We've got the rods, reels, and licenses. You bring the fish stories and sun protection!

SOCIAL EVENTS Saturday, March 31 Social Hour/Dinner, 6:30 to 10 PM 102 Division of Chemical Education, Harbor House Restaurant, 831 West Hawthorn Dr. $50 Sunday, April 1 Social Hour, 8 to 10 PM Industrial & Engineering Chemistry Divi sion, San Diego Convention Center. COD

Monday, April 2 ACS Alumni Hour, 6 to 7:30 PM University of Maryland will also partici pate, Wyndham. Tuesday, April 3 Luncheon, Noon to 1:30 PM 116 Division of Chemical Information, Hyatt. $42 Social Hour, 6 to 8 PM PMSE/P0LY Joint Poster Session, San Diego Convention Center. COD

WORKSHOPS Biosensor Workshop Monday, April 2, and Tuesday, April 3 (see website for time and location) This workshop, sponsored by the Division of Small Chemical Business, will include an overview of the develop ment and future of biosensors and diverse applications being discussed. It will also include information for those thinking about starting their own ven tures in this field. For further details, check the ACS national meeting website.

HOUSING The ACS housing deadline was March 2, but there may still be a few rooms avail able through ACS. To make a reservation through ACS, choose one of the following methods: Internet: Visit the ACS website at http:/Avwacs.org/meetings/sandiego2001. Telephone: Call the ACS Housing Bureau at (888) 465-9810 or (312) 3962133 (for international) from 9 AM to 8 PM EST, Monday through Friday Fax: Only fully completed forms with credit card deposits will be accepted by fax at (312) 705-2562. Use one form per request; make copies as needed. If you are unable to make your reserva tion via the Internet or by telephone and need the housing form faxed to you, you can use our fax-back service. To use this service, you must be in the U.S., Canada, or Mexico. Call toll-free (877) 227-0505 and follow prompts to have the forms delivered to your fax machine. Request document 2020 to receive a housing form. Reservations made via the Internet and telephone are real-time, online transac tions and are confirmed instantly Reser vations made by fax or mail will be processed by the ACS Housing Bureau on HTTP://PUBS.ACS.ORG/CEN

a first-come, first-served basis and will take 10 to 14 days to be confirmed. After March 2, the ACS hotels may be sold out or charge higher rates. If all the hotels through the ACS room block are sold out, you will need to find accommo dations on your own.

60 days or more before travel—special conditions apply). • 10% offunrestricted coach fares (15% off if purchased 60 days or more before travel—special conditions apply). • Special domestic fares that are less than the unrestricted fares and do not require a Saturday night stay (zone fares).

AIR TRANSPORTATION To assist you with travel arrangements, ACS has contracted with Association Travel Concepts (ATC). ATC is a travel agency that works exclusively with the association market. In addition to provid ing reservation assistance on our official air carriers, ATC will "fare shop" all airlines to find the absolute lowest fare. To book your reservations, or for more information about ATC, call (800) 458-9383. As always, you may use your own travel agent, or contact the airline of your choice directly American Airlines, Delta Air Lines, and US Airways have been selected as the official cocarriers for the ACS Meetings Travel Program. All three carriers offer the following: • 5% offany applicable published excur sion domestic fares (10% off if purchased

REVISED GUIDELINES: ORAL PRESENTATION In response to author requests, LCD projectors have been added as stan dard audiovisual equipment in each technical session meeting room. To ensure your presentation is a success, it is important to be familiar with and to abide by the presentation guidelines posted on the ACS Meetings website at http://www.acs.org/meetings/. Even though LCD projectors are standard equipment, their use in a session is at the discretion of the symposium organ izer and/or session chair. Please con tact your symposium organizer in advance to determine his or her prefer ence for presentation format.

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Improving the Reaction Yield Is Chemistry Changed by Changing the Mix of Chemists? Dr. Carlos G. Gutierrez

SUNDAY,

APRIL

1,

2001

How the ACS Works This free workshop will address how the ACS is relevant to minority and younger members, how minority and younger members can become more involved in ACS activities, and the role of minority and younger members in both the ACS and the chemical enterprise. Co-sponsored by the Younger Chemists Committee Noon - 2:00 PM Holiday Inn on the Bay, East Coast Room Registration requested* Committee on Minority Affairs Networking Social Hour 5:00-7:00 PM Hyatt Regency, Manchester F Room MONDAY,

APRIL

2,

2001

Mentoring Workshop/Breakfast This free workshop will provide an oppor tunity to learn techniques for mentoring students who are participating in the Scholars Program. 7:30-9:00 AM Holiday Inn on the Bay, East Coast Room Registration requested*

Join the American Chemical Society's

Committee on Minority Affairs at the 221 st ACS National Meeting April 1-5, 2001 San Diego, California * To purchase a ticket or reserve a space, call the ACS Department of Diversity Programs at 800-227-5558, press 16122#, or send E-mail to [email protected].

Committee on Minority Affairs Reception/Luncheon Speaker: Dr. Carlos G. Gutierrez Winner of the 2001 ACS National Award for Encouraging Disadvantaged Students into Careers in the Chemical Sciences "Improving the Reaction Yield: Is Chemistry Changed by Changing the Mix of Chemists?" 11:30 A M - 2 : 0 0 PM San Diego Marriott, Marina Ε Room $28"-Event #106

HQT> MOf> HOt! ÇOMF to ACS pueucÀtioMs ÉOOtH # 7 3 1

There is a celebration underway for: # ACS Members and Subscribers -:ir ACS Authors, Reviewers and Editors # ACS Journals and their contributions to chemistry # And 125 years of serving the science and practitioners of chemistry by publishing the most cited journals in chemistry It is a lively, Celebration of Excellence! Come and find out how ACS Publications can meet your needs as an author, researcher and chemist. Join us for coffee every morning, enter prize drawings, attend présentations and rplehratp at the Fipsta BOOTH #731

OLE! ACS '.'/PUBLICATIONS High Quality. High Impact. http://pubs.acs.org

PRES/COMSCI/SOCED/WCC/BTEC/TECHNICAL PROGRAM

TUESDAY MORNING

PRES

Convention Center Room 3

4:20—5. Lighting up your chemistry class. G. C. Lisensky, K. J. Nordell, S. M. Condren, J. G. Breitzer, C. G. Widstrand, A. B. Ellis

D. Sawyer, Organizer

S. Dobson, Organizer

A. E. Pavlath, ACS President SUNDAY AFTERNOON Convention Center Room 3 * You Only Thought You Were Retired— What's Next?

R. Archer, Organizer, Presiding 1:00—Panel Discussion. G. J. O'Neil, W. V. Bush, J. A. Parr, G. Cowperthwaite

9:00—Introductory Remarks. D. Riley 9:05—14. Technician certification. C. M. Hendrickson 9:25—15. Certification and environmental chemistry. R. J. Vitale 9:45—Intermission. 9:55—16. C 3 = court χ chemists χ certifica tion. J. S. Smith 10:15—17. Value of certification in the foren sic sciences. M. J. Carlo

S. Dobson, Organizer 2:00—18. The consulting enterprise and the professional certification portal. M. R. Rosen 2:20—19. National certification of chemists and chemical engineers: Why it's not working in colleges and universities. L. Duffy 2:40—Intermission. 2:50—20. Chemical laboratory accreditation. W. R. Merkel 3:10—21. Programs of the National Registry of Certified Chemists. G. E. Smith

8:30—Introductory Remarks. 8:40—1. Industrial sabbaticals: An example from DuPont. Ε. Μ. Beyer 9:00—2. Industrial sabbaticals: A personal perspective from a beneficiary. D. Kleier 9:20—3. Why we don't want to go back to school and why it's still the best thing for us. B. Hailing 9:40—4. Bootstrapping protein X-ray crystal lography in a consumer products firm. J. D. Oliver 10:00—5. An industrial sabbatical: An expe rience of a "forty-something" postdoc. F. Woolard 10:20—Intermission. 10:30—Discussion.


COMMITTEE ON SCIENCE A. B. Ellis, Program Chair

+ Chemical Careers in a Global Context

E. L. Eliel, G. W. Wyman, Organizers 1:50—Introductory Remarks. A. Pavlath 2:00—6. Science and engineering in a global community. Ε. Μ. Kelly 2:30—7. Global R&D management and ca reer development. J . K. Grime 3:00—8. Logistics of overseas transfers: Thoughts from a year in Verona. M. H. Rabinowitz 3:25—9. Chemistry student exchange pro grams: The TASSEP experience. T. Baer 3:50—10. Be a chemist and see the world? C. R. Woods 4:15—11. Opportunities for NSF support of international research collaborations. F. J. Wodarczyk 4:40—12. International programs of the American Chemical Society contributing to international career development. J. M. Malin 5:05—13. NIH-FIRCA: Fogarty International Research Collaboration Award. P. J. Stang

SUNDAY AFTERNOON San Diego Marriott Marriott Hall 3

Chemistry & Computers

•

Environmental Issues

4» Presidential Series

68

C & E N / MARCH 5, 2001

Chemical Careers in a Global Context (see Presidential Event, Mon, page 68)

1:25—Indtoductory Remarks. A. B. Ellis 1:30—1. Challenges in solid-state lighting: A new industry based on compound semi conductor light-emitting diodes. S. A. Stockman 2:10—2. Group III nitride materials for highbrightness light-emitting diodes. J. M. Redwing 2:50—Intermission. 2:55—3. Enhancing the efficiencies, color purities, and lifetimes of organic lightemitting diodes. M. E. Thompson, S. R. Forrest 3:35—4. Opportunities for chemists in organ ic LEDs and other display technologies. D. J. Gisser 4:15—Intermission.

go to http://www.acs.org/ meetings/sandiego2001/

L. E. Garrison, Organizer 9:00—Introductory Remarks. 9:10—9. Green chemistry: On the responsi bility of chemists to promote sustainability. T. J. Collins 10:25—Concluding Remarks.

wcc

Hyatt Regency Manchester A Extraterrestrial Chemistry

10:45—Introductory Remarks. 10:55—1. Resources in space: Living off the land. J. Arnold 11:30—2. Clues to the nature of carbona ceous meteorite parent bodies from amino acid signatures. J. L. Bada, D. P. Glavin, O. Botta 12:05—3. Value of meteorite research. C. B. Moore 12:40—Concluding Remarks.

WOMEN CHEMISTS COMMITTEE F. K. Wood-Black, Program Chair

SOCIAL EVENTS: Breakfast, Mon Reception, Tue Luncheon, Tue BUSINESS MEETING: Sat, Tue

Hyatt Regency Manchester A

L. E. Garrison, Organizer 6:00—Introductory Remarks. 6:05—4. Chemistry survival guide: Learning how to learn chemistry. D. M. Bunce 7:20—Concluding Remarks.

MONDAY MORNING Hyatt Regency Manchester A-B Chemistry in Theme Parks

D. Sawyer, Organizer 8:30—Introductory Remarks. 8:40—5. Chemistry at the Zoological Society of San Diego. M. S. Edwards 9:15—6. Deciphering the chemical code of the giant panda's language. L. R. Hagey, E. A. Mac Donald 9:50—7. Challenges of marine animal chem istry. P. Thomas 10:25—Concluding Remarks.

For CEPA and YCC programs,

Green Chemistry: Ethics

SOCIAL EVENT: Reception, Mon, Sat

Chemistry Survival Guide Cosponsored with Division of Chemical Education

Ά' Medicinal & Pharmaceutical Petroleum, Fuels & Related Chemistry

Joe Breen Undergraduate Poster Session in Green Chemistry (see Division of Industrial & Engineering Chemistry, Sun, page 122)

A. B. Ellis,

H Materials

•

Hyatt Regency Manchester A

SUNDAY EVENING

A Catalysis •

TUESDAY MORNING

Women in the Chemical Workforce (see Women Chemists Committee, Mon, page 69)

New Lamps for Old: Opportunities for Chemists in Lighting and Display Technologies Organizer

MONDAY EVENING

OTHER SYMPOSIA OF INTEREST:

D. Sawyer, Organizer

MONDAY AFTERNOON

Undergraduate Research Posters: Analytical Chemistry cosponsored with Division of Chemical Education (see page 93)

Successful Student Affiliates Chapter Posters cosponsored with Division of Chemical Education (see page 94)

SUNDAY MORNING

COMSCI

4:30—Introductory Remarks. 4:35—8. Organic chemical cascades: How Amazon birds get their medicines from gi ant ants. E. Rodriguez 5:25—Concluding Remarks.

EDUCATION


MONDAY MORNING

D. R. Baker, Organizer

SOCIETY COMMITTEE ON

TUESDAY AFTERNOON

Convention Center Room 3 Industrial Sabbaticals

SOCED

D. Sawyer, Program Chair

* Professional Chemists and Certification

Hyatt Regency Manchester A-B Eminent Scientist Lecture

• Professional Chemists and Certification

PRESIDENTIAL EVENTS

MONDAY AFTERNOON

SUNDAY AFTERNOON San Diego Marriott Marriott Hall 4 * Visions of the Future: How Do We Get There? Cosponsored with Younger Chemists Committee

F. K. Wood-Black, Organizer 1:30—Introductory Remarks. 1:35—1. My rose-colored glasses. F. K. Wood-Black 2:00—2. Gender equality in the chemical workplace: A millennial goal. D. H. Busch 2:25—3. Woman academic's road to the fu ture: Stepping stones or speed bumps? P. H. L. Walter 2:50—Intermission. 3:05—4. Crystal ball or rose-colored glasses! H. M. Free 3:30—5. Perspectives. A. Noce 3:55—6. Polishing the image of chemistry and chemists. J. L. Wesemann 4:20—Concluding Remarks.

Undergraduate Research Posters: Computational Chemistry cosponsored with Division of Chemical Education (see page 90)

The Committee on Meetings & Expositions requests that there be no smoking in meeting rooms or committee meetings

HTTP://PUBS.ACS.ORG/CEN

Section Β

MONDAY MORNING

SUNDAY AFTERNOON

San Diego Marriott Marriott Hall 4


Convention Center Room 17A

* Women in the Chemical Workforce

Molecular Biology Tools in Environmental Engineering II Cosponsored with Division of Biochemical Technology and Division of Environmental Chemistry

Biotechnology and Pharmaceutical Patents Cosponsored with Division of Chemical Information

F. K. Wood-Black, J. Oysteryoung, Organizers 9:30—7. What's up? F. K. Wood-Black 9:50—Panel Discussion. 10:30—Panel Discussion. 11:10—8. Isn't a millennium of affirmative action for white men sufficient? D. R. Rolison Women in Organic Chemistry cosponsored with Division of Organic Chemistry (see page 148)

MONDAY AFTERNOON Women in Organic Chemistry cosponsored with Division of Organic Chemistry (see page 149)

TUESDAY MORNING Innovative Approaches in Encouraging Women in the Chemical Sciences: Award Symposium Honoring Christina Bodurow cosponsored with Division of Industrial & Engineering Chemistry (see page 124)

TUESDAY AFTERNOON + Chemistry Career Changes: Planned and Unplanned cosponsored with Division of Professional Relations (see page 175) Innovative Approaches in Encouraging Women in the Chemical Sciences: Award Symposium Honoring Christina Bodurow cosponsored with Division of Industrial & Engineering Chemistry (see page 124)

BTEC

R. L. Ely, A. M. Spormann, D. A. Stahl, Organizers 1:3fJ—7. Quantification of the expression of pmoA in methanotrophs using competitive RT-PCR. J-l. Han, J. D. Semrau 2:00—8. Bacterial diversity and community structure in pulp mill effluent treatment systems determined by ribosomal intergenic spacer analysis. W. W. Mohn, Z. Yu, N. R. Smith 2:30—9. Ribosome genesis: Measuring microbial growth in wastewater treatment systems using fluorescence in situ hybridizations targeting precursor 16S rRNA. P. G. Stroot, D. B. Oerther 3:00—10. Studying population dynamics using oligonucleotide probe hybridization: Defining the scale paradigm. D. Frigon, P. Dutilleul, T. C. Charles, A. C. Lo, L. Raskin 3:30—11. "Rare" genes and herbicide transformation in aquatic systems. D. W. Graham, K. W. Knapp, G. Berardesco, F. deNoyelles Jr., C. K. Larive, V. H. Smith 4:00—12. Use of molecular techniques for the identification and characterization of PAH-degrading bacteria and the development of metal biosensors. C. D. Miller, K. Hall, M. Perry, K. Nieman, R. Sims, J. McLean, A. Anderson 4:30—Discussion. * Solid- and Solution-Phase Syntheses and Techniques: Generation of Combinatorial Libraries Symposium cosponsored with Division of Organic Chemistry (see page 146)

MONDAY MORNING Section A Convention Center Room 4

BIOTECHNOLOGY SECRETARIAT G. Grethe, Secretary General SUNDAY MORNING Convention Center Room 4 Molecular Biology Tools in Environmental Engineering I Cosponsored with Division of Biochemical Technology and Division of Environmental Chemistry

R. L. Ely, A. M. Spormann, D. A. Stahl, Organizers 8:30—1. Molecular characterization of anaerobic consortia that degrade benzene and trichloroethene. E. A. Edwards, A. C. Stelfox, S. D. Wehr 9:00—2. Use of molecular methods for characterizing and tracking the dominant members of a chlorinated solvent cometabolizing mixed culture. M. E. Dolan, S. J. Giovannoni, L. Semprini 9:30—3. Use of 16S rDNA methods to study sequential anaerobic-aerobic biodégradation of PCBs in soil. K. F. Reardon, J. Bull Rogers 10:00—4. Dilution culture methods and LHPCR to compare the bacterial community composition in propane-sparged vs. airsparged groundwater at McClellan Air Force Base, Calif. S. A. Connon, A. Tovanabootr, K. Vergin, S. J. Giovannoni, L. Semprini 10:30—5. Subsurface microbial community structure changes in response to carbon addition to stimulate haloreduction. O. A. Zelennikova, M. A. Panciera, B. F. Smets 11:00—6. Bacterial population dynamics in laboratory-scale activated sludge reactors. K. Kaewpipat, C. P. L. Grady Jr. 11:30—Discussion.


Molecular Biology Tools in Environmental Engineering III Cosponsored with Division of Biochemical Technology and Division of Environmental Chemistry

R. L. Ely, A. M. Spormann, D. A. Stahl, Organizers 8:30—13. Characterization of nitrifying populations in chloraminated drinking water distribution systems by TRFLP analysis. J. M. Regan, G. W. Harrington, D. R. Noguera 9:00—14. Use of T-RFLP to identify TNTand RDX-degrading bacterial populations in an anaerobic fluidized bed reactor. R. A. Sanford, K. Moon, S. H. Oh, N. Adrian 9:30—15. DNA microarrays for managing and monitoring biological treatment processes. E. A. Edwards, E. A. François, P. Dennis, S. N. Liss, A. M. Edwards, R. Fulthorpe 10:00—16. Construction of gene libraries on DNA microarrays to characterize differential gene expression. R. L. Ely, L. G. Gregory, T. S. Radniecki 10:30—17. Proteomic approach to assessing environmental stress in complex microbial communities. N. G. Love, C. B. Bott, K. C. Terlesky 11:00—18. Genome-wide monitoring of transcriptional response of the yeast S. cerewsiae to a bioactive contaminant. D. Xu, D. Brooker, B. McNeil, B. McCarry, J. D. Friesen, T. Yager 11:30—Discussion.

A. Berks, E. Simmons, Organizers E. Simmons, Presiding 8:30—Introductory Remarks. 8:35—19. Comparing the Derwent Chemical Resource database with the CAS Registry File. H. W. Yun, A. Berks 9:05—20. Increasing confidence in search results: Part I—Text searching on STN. W. M. Mercier 9:35—21. Searching for chemical reaction an". M. A. Calcagno 10:05—22. Statistical analysis of global trends in patenting biosequences. R. V. Buckley 10:35—23. Information sources on postgrant actions to pharmaceutical patents. S. R. Adams 11:05—24. Inventorship issues in collabora tion and screening agreements. J. G. Ackerman 11:35—25. Enterprise patent information: A portal approach to meet your company's diverse user needs. R. Schroeder + Solid- and Solution-Phase Syntheses and Techniques: Generation of Combinatorial Libraries Symposium cosponsored with Division of Organic Chemistry (see page 148)

MONDAY AFTERNOON Section A Convention Center Room 4 Biotech/Bioinorganic Interface Cosponsored with Division of Inorganic Chemistry

M. J. Abrams, Organizer 1:30—26. Biochemical molecular imaging using magnetic resonance techniques. T. J. Meade 2:00—27. Chemical enhancement of ligand/ receptor affinity by rational design: Anti bodies with infinite affinity. A. J. Chmura, C. Meares 2:30—28. Combinatorial synthesis and highthroughput screening of platinum drug candidates. S. J. Lippard, C. J. Ziegler, A. P. Silverman 3:00—29. Computer-aided design of Mn SOD mimetics and their utility as antican cer agents. D. P. Riley 3:30—30. Photolithographic synthesis of high-density DNA probe arrays. J. A. Fidanza, G. H. McGall, M. I. Glazer, C. Frank 4:00—31. Search for the perfect bifunctional chelator for copper radionuclides. C. J. Anderson, X. Sun, M. Wuest, M. J. Welch, G. R. Weisman, E. H. Wong

Section Β Convention Center Room 17A Pharmal informatics: Integration of Bioinformatics and Cheminformatics Cosponsored with Division of Biochemical Technology and Division of Chemical Information

O. F. Giiner, Organizer 1:00—32. Pharmalnformatics: Perspectives on the integration and sharing of R&D data in a pharmaceutical/biotech environ ment. H. J. R. Weintraub

1:30—33. Informatics challenges in chemical data storage, retrieval, and mining are be ing met with the development of new cheminformatics technologies and tools. J. Cohen, D. Diller, P. Gund 2:00—34. Bridging cheminformatics and bioinformatics by using protein structures. A. W. E. Chan, R. A. Laskowski, J. M. Thornton 2:30—35. Mind the gap: Bridging the gulf be tween bioinformatics and cheminformat ics. W. Langton, M. Higgins 3:00—36. Multidimensional exploration into biochemical pathways. J. Gasteiger, D. Trumbach, W-D. Ihlenfeldt 3:30—37. Prediction of PGP transporter ac tivity using calculated molecular proper ties. T. R. Stouch, O. Gudmundson, S. E. Ge 4:00—38. Informatics integration within the drug discovery pipeline at Arena Pharma ceuticals. G. Jones Orphan Nuclear Receptors cosponsored with Division of Medicinal Chemistry (see page 139)

TUESDAY MORNING Section A Convention Center Room 4 Combinatorial Chemistry for Drug Discovery in the New Century: Informatics, Synthesis, and Analysis Cosponsored with Division of Industrial & Engineering Chemistry

R. L. Affleck, A. J. Mendonca, Organizers 8:30—Introductory Remarks. 8:35—39. Combinatorial library design in the new century. R. S. Pearlman, K. M. Smith 9:05—40. Arrayed split-pool chemical librar ies: Developing a platform for chemical genetics. M. A. Foley, R. W. King, S. L. Schreiber 9:35—41. New automation technology for the efficient production of large combinato rial libraries of small molecules by directed sort and combine methods. J. A. Connel ly 10:05—42. New solid supports for efficient li brary generation. A. J. Mendonca, A. F. Coffey, J. W. Davies, F. P. Warner 10:35—43. A rapid synthesis of a 24,000member library based on a peptidepeptoid hybrid scaffold performed using the IRORI NanoKan system. C. Black burn, R. Boyle, J. Brown, P. Bryans, A. Chen, D. Flynn, S. Ghosh, K. Holden, Z. Ji, Z. Jiang, D. Owen, C. Renou, M. Jones, S. Travers, R. Affleck 11:05—44. High-speed separations: In creased sensitivity and throughput. J. A. McConville, L L. Lloyd, F. P. Warner, J. M. Watkins, M. I. Millichip 11:35—45. Computational screening of virtu al ligand libraries. R. Abagyan

Section Β Convention Center Room 5B * Genomics and Proteomics Technologies and Applications I Cosponsored with Division of Biochemical Technology and Division of Carbohydrate Chemistry

M. Manoharan, M. R. Marten, Organizers M. Manoharan, Presiding 8:30—Introductory Remarks. 8:35—46. Integrated approach to gene func tion. P. G. Schultz

Photographing of slides and/or taping of talks is prohibited unless permission is obtained from individual presenters

C&EN/MARCH5.2001

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BTEC/CATL/TECHNICAL PROGRAM

9:10—47. High-throughput genotyping using automated mass spectrometry. C. R. Can tor 9:45—48. High-throughput target validation utilizing antisense oligonucleotides. C. F. Bennett 10:20—49. Synthesis of high-density oligo nucleotide probe arrays using photolithog raphy. G. McGall 10:55—50. Microscale multidimensional sep aration strategies to identify the compo nents of cells. J. R. Yates, D. Wolters, M. Washburne 11:30—Concluding Remarks.

TUESDAY AFTERNOON Section A Convention Center Room 4 Combinatorial Approaches to Polymer Design and Modeling Cosponsored with Division of Polymer Chemistry

J. Kohn, Organizer 2:00—51. Searching techniques for struc ture-property relationships in materials. K. Rajan, M. Zaki, K. Bennett 2:30—52. Designing polymer libraries: Crite ria for using copolymers. J. Kohn, S. Brocchini 3:00—53. Designing diverse and focused combinatorial libraries of synthetic poly mers for biomaterials. C. H. Reynolds 3:30—54. Auxiliaries for solution-phase com binatorial chemistry in a novel shape: Po rous monolithic disks with functionalized internal surface. F. Svec 4:00—55. Discovery and optimization of cat alysts through parallel screening methods. K. Burgess, D-R. Hou, B. Lane, T. A. Colacot 4:30—56. Results and commercialization: Progress in the practice of combinatorial materials science. P. Cohan

Section Β Convention Center Room 5B * Genomics and Proteomics Technologies and Applications II Cosponsored with Division of Biochemical Technology and Division of Carbohydrate Chemistry

M. R. Marten, Presiding 2:00—57. Expression profiling of inflammato ry responses in hepatocytes. A. Jayaraman, D. M. Yarmush, M. L. Yarmush, C. M. Roth 2:25—58. Functional classification of the PHA synthase superfamily. E. Shaw, J. Dordick, L A. McCue, C. Lawrence 2:50—59. Mathematical analysis of DNA hy bridization on microarrays. C. J. Gadgil, M. D. Gatti, R. Korke, A. Rink, C. W. Beattie, W-S. Hu 3:15—60. Proteomic analysis of Pseudomonas putida F1 growth on toluene-phenol mixtures. K. F. Reardon, K-H. Kim 3:40—61. Tapping the lines of cell-to-cell communication in Escherichia coli: Per spectives on signaling dynamics and cir cuit architecture. M. P. DeLisa, C-F. Wu, W. E. Bentley, J. J. Valdes 4:05—62. Utilizing proteomics to evaluate the physiological effects of genetically in troducing toluene monooxygenase into Escherichia coli. K. F. Reardon, V. A. Pferdeort, T. K. Woods, K. Canasa

WEDNESDAY MORNING Convention Center Room 4 Combinatorial Methods in Material Science, New or Adapted from Biotechnology: Matinformatics, Combinatorial Methods, and High-Throughput Screening Techniques Cosponsored with Division of Polymeric Materials: Science & Engineering

10:00—65. Computing tools for combinatori al materials discovery. R. B. Nielsen 10:30—66. Decision analytics in matinfor matics. M. S. Sivasubramanian, R. Sharma 11:00—67. Informatics challenges in combi natorial materials discovery. L. A. Har mon, A. J. Vayda, S. G. Schlosser 11:30—68. QSAR and chemical feature analysis in materials combinatorial chem istry. M. J. Doyle • Computational Chemistry and Molecular Modeling Instruction cosponsored with Division of Chemical Education (see page 96) • Accelerating Drug Discovery: New Advances in Structure-Based Drug Design Technologies cosponsored with Division of Medicinal Chemistry (see page 140)

WEDNESDAY AFTERNOON Convention Center Room 4 Combinatorial Methods in Material Science, New or Adapted from Biotechnology: Applications and Approaches for Materials and Biomedical Materials Development Cosponsored with Division of Polymeric Materials: Science & Engineering

J. D. Hewes, G. Nelson, Organizers 2:00—69. Genetically engineered proteins for functional materials nanoassembly. M. Sarikaya, F. Baneyx, D. Heidel 2:30—70. Combinatorial methods for materi als science: Application to biocompatibility of polymers. E. J. Amis, A. Sehgal, J. C. Meredith, A. Karim 3:00—71. Finding correlations between chemical structure and cellular responses in a combinatorial library of polymers. E. Effah-Kaufmann, T. Briggs, J. Kohn 3:30—72. High-throughput polymer microwell arrays for laser capture microdissec tion. G. Cantoni, R. F. Bonner, A. Sehgal, J. F. Douglas, A. Karim Teaching Biochemistry in the New Century cosponsored with Division of Chemical Education (see page 97) • Computational Chemistry and Molecular Modeling Instruction cosponsored with Division of Chemical Education (see page 96)

THURSDAY MORNING Convention Center Room 4 Patent Issues in the Bioinformatic Age Cosponsored with Division of Chemistry & The Law

C. Campbell, Organizer 9:00—73. Patenting bioinformatics: Inven tions at the nexus of biology and informa tion technology. M. M. Parr 9:30—74. Patents in the age of bioinformat ics. C. Campbell 10:00—75. Biology as an information sci ence: Implications for defining intellectual property. L. Hood 10:30—76. Bioinformatics litigation update. D. M. Beckwith 11:00—77. Ownership of genetic information in the genomics age. V. Norviel 11:30—78. Bioinformatics patents and the FDA infringement exemption. M. A. Flores 12:00—79. Analytical methods validation and defensible laboratory data: What's the connection? E. A. Mishalanie Teaching Biochemistry in the New Century cosponsored with Division of Chemical Education (see page 97)

CATL CATALYSIS & SURFACE SCIENCE SECRETARIAT L. S. Etoffa, Secretary General L. S. Boffa, Ν. Β. Jackson Program Chairs

10:20—5. Preparation of titania (Ti02) cata lyst support of a large specific surface by applying the pH swing method for ultradeep HDS of diesel oil. S. Inoue, T. Takatsuka, H. Kudou, T. Ono, S. Nakata, Y. Yoshimura 10:40—6. Catalytic decarboxylation of lowrank Turkish Elbistan lignite. Y. Yurum, S. Ozvatan 11:00—7. NOx reductions under fluid catalyt ic cracking conditions. R. Roncolatto, L. Mello 8. Withdrawn.catalysts for control of SO x emissions. J. F. Sullivan, W. S. Epling

SUNDAY AFTERNOON Wyndham Emerald Plaza Pearl

OTHER SYMPOSIA OF INTEREST: Asymmetric Reactions and Syntheses (see Division of Organic Chemistry, Sun, Mon, page 146) Metal-Mediated Reactions, Physical Organic Chemistry, Photochemistry, and Materials (see Division of Organic Chemistry, Tue, page 150) Molecular Engineering for Phase-Separable Catalysts (see Division of Inorganic Chemistry, Sun, Mon, Tue, page 127) Synthesis and Characterization of Novel Micro/Meso Materials for Petrochemical Processing (see Division of Petroleum Chemistry, Tue, Wed, page 155) Catalysis Award Symposium Honoring Alexis T. Bell (see Division of Colloid & Surface Chemistry, Sun, page 101) Chemistry at Solid Surfaces (see Division of Colloid & Surface Chemistry, Mon, Tue, Wed, page 102) New Polyolefin Copolymers: Synthesis, Properties, and Applications (see Division of Polymeric Materials: Science & Engineering, Sun, Mon, Tue, page 168)

SUNDAY MORNING Wyndham Emerald Plaza Pearl • • A Emission Control through Catalysis Cosponsored with Division of Colloid & Surface Chemistry, Division of Industrial & Engineering Chemistry, and Division of Petroleum Chemistry

U. S. Ozkan, P. O'Connor, Organizers U. S. Ozkan, Presiding 8:30—Introductory Remarks. 8:35—1. Improve FCC gasoline qualities and clean exhaust gases. C. Li, Z. Da, Z. He 8:55—2. FTIR study of the interaction of dioxin, carbazole, dibenzothiophene, and 4,6-dimethyldibenzothiophene on metal oxide catalysts. M. A. Larrubia, A. Gutier rez Alejandre, J. Ramirez Solis, G. Busca 9:15—3. Ultradeep HDS catalysis in produc tion of clean diesel fuels. R. G. Leliveld, S. E. Eijsbouts, S. Mayo 9:35—4. New catalytic materials for hydrodesulfurization catalysis. M. E. Bussell, B. Diaz, D. C. Phillips, S. Korlann, R. L. Self, D. Shorten 9:55—Intermission.

• • A Emission Control through Catalysis Cosponsored with Division of Colloid & Surface Chemistry, Division of Industrial & Engineering Chemistry, and Division of Petroleum Chemistry

P. O'Connor, Presiding 1:30—9. Partial oxidation of methane to syn thesis gas over alkaline earth metal oxide supported cobalt catalysts. H. Wang Sr., E. Ruckenstein Sr. 1:50—10. Influence of chromium on sulfur resistance of supported Pd catalyst for ar omatic hydrogénation in diesel fuel. L. Hu, G. Xia, L. Qu, M. Li, D. Li 2:10—11. Production of hydrogen from the catalytic reformulation of methanol. P. H. Matter, S. Natesakhawat, U. S. Ozkan 2:30—12. Palladium-based catalysts for the synthesis of alcohols. M. J. Pérez-Zurita, M. L. Cubeiro, M. Cifarelli, M. Goldwasser, E. Pietri, L. V. Garcia B, J. F. Lamonier 2:50—Intermission. 3:20—13. High-stability water-gas shift catalysts based on nanocrystalline ceria. Q. Fu, S. Kudriavtseva, H. Saltsburg, M. Flytzani-Stephanopoulos 3:40—14. First-principles modeling or reactions on oxide surfaces for automotive exhaust aftertreatment. W. F. Schneider, K. C. Hass, J. L. Gland, M. Miletic 4:00—15. Highly active lean NOx catalysts: Hysteresis in the presence of water. K. C. Ott, N. C. Clark, J. A. Rau 16. Withdrawn, catalytic reduction of NOx. M. K. Neylon, C. L. Marshall, L. C. Satek, M. E. Carrera

MONDAY MORNING Wyndham Emerald Plaza Pearl • • A Emission Control through Catalysis Cosponsored with Division of Colloid & Surface Chemistry, Division of Industrial & Engineering Chemistry, and Division of Petroleum Chemistry

P. O'Connor, Presiding 8:30—17. Characteristics of Cu/Ti-PILC catalyst for the reduction of NOx by propene. B. S. Kim, S-W. Ham, H-J. Chae, l-S. Nam 8:50—18. Identification of surface intermediates on palladium-based catalysts in NOx reduction with lower hydrocarbons. J. M. Watson, R. Munteanu, U. S. Ozkan 9:10—19. Low-temperature SCR of NO with NH3 over water-resistant transition-metal oxides supported on titania. B. S. Uphade, D. A. Pena, P. G. Smirniotis 9:30—20. Molecular beam study of NO reduction on rhodium catalysts. S. Wehner, C. S. Gopinath, F. Zaera 9:50—Intermission. 10:20—21. Spectroscopic and theoretical insight into the mechanistic aspects of SCR reaction over vanadia-titania catalysts. N-Y. Topsoe, M. Anstrom, J. A. Dumesic 10:40—22. Lean NOx catalysis for mobile source emission control. M. Crocker, S. Eckhoff, A. Fukumoto, T. Matsumoto, P. A. Duggleby, R. Bending 11:00—23. Poisoning effect of S0 2 on NO reduction by /-butane over Fe/ZSM-5 prepared by sublimation method. S. I. Woo, P. Decyk, D-K. Kim, D. H. Kim, M. R. Kim

G. Nelson, Organizer 9:00—63. Informatics-based design of mate rials. K. Rajan, M. Zaki, K. Bennett 9:30—64. Capturing the combinatorial work flow. D. R. Dorsett Jr.

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11:20—24. New active zeolite structures for the selective catalytic reduction of nitrogen oxides: ITQ-7 and IM5 zeolites—the influence of N0 2 on this reaction. A. Corma, A. E. Palomares, J. G. Prato

MONDAY AFTERNOON Wyndham Emerald Plaza Pearl • • A Emission Control through Catalysis Cosponsored with Division of Colloid & Surface Chemistry, Division of Industrial & Engineering Chemistry, and Division of Petroleum Chemistry

10:30—37. Nanofunctionalization of cata lysts for methanol-to-olefin chemistry. J. F. Haw, W. Song 10:55—38. Synthesis of nanocrystalline perovskites for catalytic combustion of meth ane. N. Sangar, J. Y. Ying 11:20—39. Nanocrystalline LaCo0 3 -based perovskites as catalysts for VOC oxida tion. V. Szabo, M. Bassir, J. E. Gallot, A. V. N. Van Neste, S. Kaliaguine 11:45—40. Recent development in electron microscopy of nanoparticles and support ed catalysts. J. Liu

WEDNESDAY AFTERNOON TUESDAY AFTERNOON

U. S. Ozkan, Presiding

Wyndham Emerald Plaza Pearl

1:30—25. Study of the conversion of chlorided hydrocarbons over acid catalysts. E. Finocchio, C. Pistarino, G. Busca, M. Baldi 1:50—26. Unique materials design for catalytic emission control systems. P. O'Connor, D. Stamires, W. Jones 2:10—27. Development of an active and environmentally selective bifunctional metalzeolite catalyst for the chlorinated VOC emissions abatement. A. Aranzabal, R. Lopez, J. R. Gonzalez-Velasco, J. I. Gutierrez-Ortiz, M. A. Gutierrez-Ortiz, J. A. Gonzalez-Marcos 2:30—28. Effect of particle size on oxidation processes on platinum catalysts. B. Trout, X. Lin, W. F. Schneider, K. C. Hass 2:50—Intermission. 3:20—29. Fluorine emission control of the semiconductor industry by surface wave plasma. B. Derecskei, M. Gunn, J. Bevan 3:40—30. Catalytic oxidation of CI VOCs in flue gas from a waste incineration pilot plant. J. Corella, J-M. Toledo 4:00—31. Global warming potential reduction of the industrial SF6 emission by surface wave plasma. M. Gunn, B. Derecskei, J. Tomeo, J. Bevan 4:20—32. Thermoanalysis of three nuclear oxo-acetate cluster complexes of ferric(lll) and chromium(lll). S. K. Abdullaev, R. N. Nosirova, N. Q. Mukhamadiev

• Nanotechnology in Catalysis Ordered Nanoporous Materials for Catalysis

TUESDAY MORNING Wyndham Emerald Plaza Pearl • Nanotechnology in Catalysis Nanomaterials for Advanced Catalysts Cosponsored with Division of Colloid & Surface Chemistry and Division of Industrial & Engineering Chemistry B. Zhou, J . St. John, B. Zhou,

Organizers

Presiding

8:00—Introductory Remarks. 8:10—33. Fabrication of model platinum nanoparticle catalysts by electron-beam lithography: Studies of hydrogénation and dehydrogenation of cyclohexene. G. A. Somorjai 8:55—34. Nanostructure processing of advanced catalysts. J. Y. Ying 9:40—35. New catalytic materials for clean technology. K. Wilson, D. J. Macquarrie, J. H. Clark 10:05—36. Design of open metal sites in porous metal-organic crystals. Ο. Μ. Yaghi, B. Chen, M. O'Keeffe

Cosponsored with Division of Colloid & Surface Chemistry and Division of Industrial & Engineering Chemistry

J. Y. Ying, Presiding 1:00—41. Mixed-metal clusters as precur sors for nanoparticle bimetallic catalysts embedded in mesoporous silica MCM-41. S. Hermans, B. F. G. Johnson, R. Raja, G. Sankar, J. M. Thomas 1:25—42. Spontaneous formation of gold nanoparticles in MCM-41 mesoporous ma terials and their application in catalytic hy drogénation of styrene. P. Mukherjee, C. Patra, A. Ghosh, R. Kumar, M. Sastry 1:50—43. Transformations of ethylene sulfide on zeolites and a zeotype: The appearance of a seven-membered cyclic product with three-ring sulfur atoms on AIMCM-41, an aluminosilicate with nanosize pore system. I. Pâlinko, A. Fâsi, Â. Gômôry, I. Kiricsi 2:15—44. Size discrimination of colloidal nanoparticles by thiol-functionalized MCM41 mesoporous molecular sieves. P. Mukherjee, M. Sastry, R. Kumar 2:40—45. Nanoparticles of 3-D transitionmetal oxides in mesoporous MCM-48 silica host structures: Synthesis and characterization. R. Kôhn, C. Minchev, M. Frôba 3:05—46. Ordered mesoporous carbons exhibiting extraordinary metal dispersion. R. Ryoo, S. H. Joo, S. J. Choi 3:30—47. Synthesis, characterization, and use of graphite nanofibers as novel support materials. P. E. Anderson, Ν. Μ. Ro driguez, T. K. Baker 3:55—48. Mesoporous silica thin films with various structures: In situ time-resolved XRD experiments. D. Grosso, F. Babonneau, P. A. Albouy, R. Balkenende, H. Amenitsch 4:20—49. One-pot synthesis of phenylfunctionalized porous silicates with hexag onal and cubic symmetries. V. Goletto, F. Babonneau, M. Impéror 4:45—50. Microwave-induced self-assembly of zeolite crystals. J. M. Kim, D. S. Kim, J. S. Hwang, J-S. Chang, S-E. Park

WEDNESDAY MORNING


•


M Materials w Medicinal & Pharmaceutical •

Petroleum, Fuels & Related Chemistry

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Presidential Series

HTTP-.//PUBS.ACS.ORG/CEN

• Nanotechnology in Catalysis Catalysis and Characterization of Nanoparticle/Nanoporous Materials Cosponsored with Division of Colloid & Surface Chemistry and Division of Industrial & Engineering Chemistry

1:00—59. Size-dependent electrical behavior of spatially inhomogeneous barrier height regions on silicon. N. S. Lewis, R. C. Ros si, M. X. Tan 1:25—60. Tin/indium oxide nanocomposites for gas sensor applications. J. T. McCue, J. Y. Ying 1:50—61. Catalytic properties of mixed nan oparticles. M. B. Mitchell, V. N. Sheinker, A. B. Tesfamichael, A. A. Elliott, E. A. Mintz 2:15—62. Preparation and characterization of sulfated zirconia/silica super acid nanocatalyst. C. Wang, Y. Zhang, N. Gao, S. Lin, Y. Bai, Y. Wei 2:40—63. Highly selective dehydration of 4-methyl-2-pentanol to terminal olefin cat alyzed by (hydrous) zirconia solid cata lysts. S. Liu, G. K. Chuah 3:05—64. Synthesis of Ti-MWW as a cata lyst for selective epoxidation of alkenes. T. Tatsumi, P. Wu 3:30—65. Construction of multisite chiral cat alysts: Dendrimer-fixation of C2-symmetrical diphosphinerhodium complexes. G. D. Engel, L. H. Gade 3:55—66. High-resolution 23 Na and 27 AI solid-state NMR satellite transition spec troscopy. S. Shih, S. Ding, C. A. McDow ell 4:20—67. Determination of thermodynamic parameters of nanoporous materials by frontal inverse gas chromatography. F. Thielmann, D. R. Williams 4:45—68. Application of solid-state multinuclear CPMAS ( 13 C, 2 9 Si, 119 Sn) and CRAMPS (1H and 19F) NMR for the inves tigation of chiral transition-metal complex es supported on the surface of inorganic oxides modified with natural chiral poly mers. Y. Oprunenko, D. Mityuk

THURSDAY MORNING Wyndham Emerald Plaza Pearl

• Nanotechnology in Catalysis Catalysis by Nanoparticle/Nanoporous Materials


Presiding

8:00—51. Catalysis by metallic nanoparticles: The good and the bad. M. A. ElSayed 8:45—52. Nanoporous carbon membranes for catalysis and separation. H. C. Foley 53. Withdrawn. 9:30—54. Highly dispersed nitride supported on â-alumina for hydrogénation of benzene and dehydrogenation of cyclohexane. J. Xiao, Z. Sun, Q. Xin, C. Li 9:55—55. Performance of nanonickel particles containing catalyst in the hydrogénation of toluene. L. H. Ding, Z. Zhang

9:55—72. Autocatalytic formation of nanometer-sized metal particles during photographic development and in colloidal dispersions. G. Mills, K. Winkelmann, A. Korchev 10:20—73. EXAFS investigation of bimetallic materials for the synthesis of single-walled carbon nanotubes. T. Guo, G. Cheng, B. Lormand 10:45—74. Preparation and characterization of catalyst applied for synthesis of carbon nanotubes via CCVD method. Z. Konya, A. Oszko, A. Siska, J. Kiss, I. Kiricsi 11:10—75. Degradation of organic contami nants in drinking water and wastewater using a rotating disk photocatalytic reac tor: Factors affecting interfacial transport, adsorption, and reaction. D. D. Dionysiou, M. T. Suidan, I. Baudin, J-M. Laîné 11:35—76. Simulation of the dynamic behavior of nanoparticle chain aggregates. A. Dalis, S. K. Friedlander

J. St. John, Presiding

A Nanotechnology in Catalysis New Concepts and Applications of Nanocatalysis

A. G. Comolli,

A Catalysis




•

10:20—56. Cooperative coadsorption of CO and 0 2 on gold clusters: Evidence for efficient room-temperature C 0 2 generation. W. T. Wallace, R. L. Whetten 10:45—57. Characterization and catalytic activity of gold nanoparticles synthesized by autoreduction of aqueous chloroaurate ions with fumed silica. P. Mukherjee, C. Patra, A. Ghosh, R. Kumar, M. Sastry 11:10—58. Selective molecular adsorption on gold clusters. R. L. Whetten, Β. Ε. Sal isbury, W. T. Wallace

M. A. El-Sayed, Presiding 8:00—69. Design activity and selectivity in tailored nanoscale materials. J. Liu 8:45—70. First-principles simulations of ca talysis and nanotechnology. W. A. Goddard, W. Deng, X. Xu, D. Chakraborty, D. Philipp 9:30—71. Amphoterization and layer-bylayer assembly of colloidal gold particles derivatized with the amino acid valine. P. Mukherjee, A. Kumar, A. B. Mandale, R. Kumar, M. Sastry


AGFD DIVISION OF AGRICULTURAL & FOOD CHEMISTRY M. Tunick, Program Chair

SOCIAL EVENT: Reception, Tue

SUNDAY MORNING Convention Center Room 6D * Joint ACS-ISoFF Symposium on Food Factors for Health Promotion

C-T. Ho, F. Shahidi, T. Osawa, S. Watanabe, Organizers S. Watanabe, T. Osawa, F. Shahidi, Presiding 8:30—Introductory Remarks. 8:35—1. Perspectives for nonnutrient functional food factor researches. S. Watanabe 9:05—2. Protective effects of antioxidants in fruits, vegetables, tea, and soy against reactive oxygen species associated with heart diseases and cancers. J. H. Weisburger 9:35—3. Functional foods: Where is the future? J. W. Finley, P. Brown 10:05—Intermission. 10:20—4. Perspective of oxidative stress measurement for the prevention of aging and diseases. H. Ochi, J. Kurashige, N. Ramarathnam, T. Osawa, T. Yoshikawa 10:50—5. Novel biomarkers for measurement of oxidative stress by application of immunochemical methods. T. Osawa 11:20—6. co-3 Fatty acids as healthpromoting functional food factors. F. Shahidi

SUNDAY AFTERNOON Section A Convention Center Room 6D • Joint ACS-ISoFF Symposium on Food Factors for Health Promotion

C. S. Yang, K. Kanazawa, S. Barnes, Presiding 1:10—Introductory Remarks. 1:15—7. Bioavailability and biological activity of tea polyphenols. C. S. Yang, M-J. Lee, C. Li, X. Meng, H. Lu 1:45—8. Biomarkers of polyphenol intake. M-P. Gonthier, C. Manach, C. Morand, C. Remesy, A. Scalbert, I. Mila, C. Lapierre

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2:15—9. Fructooligosaccharides modify the bioavailability and metabolism of isoflavones. M. Uehara 2:45—Intermission. 3:00—10. Absorption and metabolic conver sion of quercetin and its glucosides in Caco-2 cells. K. Murota, S. Shimizu, J-H. Moon, J. Terao 3:30—11. Identification and quantitation of food factors using MALDI-MS. P. Sporns 4:00—12. Conversion of carotenoids to retin oids and other oxidation products. A. Nagao 4:30—13. Effects of heating on radicalscavenging activity and phenol content of vegetables. T. Yamaguchi, T. Mizobuchi, J. Terao, H. Takamura, T. Matoba

Section Β Convention Center Room 6E Graduate Student Symposium Cosponsored with Younger Chemists Committee

C. Brine, Organizer

Section Β

Convention Center Sails Pavilion

Plant Biotechnology

Sci-Mix

Potential of Transgenic Technologies

M. Tunick, Organizer

P. L. Gepts, A. Lopez-Munguia, Organizers 8:55—Introductory Remarks. 9:00—25. Status of plant biotechnology in Mexico. W. A. Cress 9:30—26. Biodiversity and biotechnology of insecticidal crystal proteins produced by Bacillus thuringiensis. A. Bravo, J. Sanchez, G. Pena, R. Miranda, L. Una, M. E. Nunez, I. Gomez, M. Soberon 10:00—27. Transgenic insect resistance. M. Chrispeels 10:30—28. Nutritional quality. S. Abel 11:00—29. Adoption of GMOs by farmers. G. Hillyer 11:30—Discussion.

MONDAY AFTERNOON

1:30—Introductory Remarks. 1:35—14. Dynamics of flavor release from a beverage. K. D. Deibler 2:05—15. Effect of iron and surfactant hy droperoxides on the oxidative stability of oil-in-water emulsions. C. D. Nuchi, D. J. McClements, E. A. Decker 2:35—Intermission. 2:50—16. Enzymatic synthesis of structured lipids containing γ-linolenic acid and v-3 polyunsaturated fatty acids. S. P. J. N. Senanayake, F. Shahidi 3:20—17. Phytochemicals and their bioactivities from the seeds of quinoa (Chenoposium quinoa). N. Zhu, M. V. Karwe, R. T. Rosen, C-T. Ho

MONDAY MORNING Section A Convention Center Room 6D • Joint ACS-ISoFF Symposium on Food Factors for Health Promotion

J-K. Lin, Z. Dong, T. Sakai, Presiding 8:00—Introductory Remarks. 8:05—18. Prevention and therapy of cancer by food factors through the p53-dependent or -independent apoptosis. Z. Dong 8:35—19. Cancer chemoprevention by phytopolyphenols through modulating mitotic and differentiating signal transduction pathways. J-K. Lin, M-H. Pan, C-T. Ho, S-Y. Lin-Shiau 9:05—20. Butyrate and vitamin D3 as a mod el for "gene-regulating chemoprevention". Y. Sowa, T. Inoue, K. Nakano, J. Kamiyama, T. Sakai 9:35—Intermission. 9:50—21. Britannilactone, a novel derivative isolated from Inula britannica is cytotoxic through the phosphorylation of Bcl-2 at a paclitaxel phosphorylation site. R. Mo hamed, N. Bai, C. T. Ho, R. T. Rosen, G. Ghai, D. Perez, Ε. White, R. S. DiPaola 10:20—22. p300 and ATF-2 facilitate tran scription of c-jun gene during retinoic acidinduced differentiation of embryonal carci noma cells. K. K. Yokoyama 10:50—23. Inhibitory effect of an extract of the root of the Chinese plant Polygonum cuspidatum on chemically induced biomarker changes and tumorigenesis in mice. M-T. Huang, Y. Liu, W. Ding, J-G. Xie, B-L. Zheng, Q-l. Zheng, R. T. Rosen, G. Ghai, C-T. Ho 11:20—24. In vivo inhibition of mammary carcinogenesis, formation of DNAcarcinogen adducts, and mammary gland proliferation by dietary dibenzoylmethane. C. C. Lin, Y-P. Lu, Y-R. Lou, K. W. Singletary, C. MacDonald, C-T. Ho, H. Newmark, M-T. Huang

MONDAY EVENING

Convention Center Room 6E

Section A Convention Center Room 6D • Joint ACS-ISoFF Symposium on Food Factors for Health Promotion

T. Yoshikawa, C-T. Ho, F. Shahidi, Presiding 1:10—Introductory Remarks. 1:15—30. Identifying the important antioxi dants in the human diet. B. Halliwell 1:45—31. Protocols for food and biological antioxidants. Ε. Ν. Frankel 2:15—32. Antioxidant effects of tetrahydro-βcarboline derivatives identified in aged garlic extract. N. Ide, M. Ichikawa, K. Ryu, J. Yoshida, H. Matsuo, S. Yoshida, S-I. Sumi 2:45—Intermission. 3:00—33. Inflammatory response in the pathogenesis of atherosclerosis and its prevention by food factors. T. Yoshikawa, Y. Naito 3:30—34. Versatile chemopreventive actions of theaflavins in black tea: Antioxidative ef fect and suppression of CYP1A1. Q. Feng, Y. Torii, K. Uchida, T. Osawa 4:00—35. Formation of the addition products of α-tocopherol with cholestryl linoleateperoxyl radicals in peroxidized human plasma. R. Yamauchi, H. Noro, K. Ozaki, K. Kato 4:30—36. Active oxygen scavenging activity of food phenolic compounds. H. Takamura, M. Murakami, T. Yamaguchi, T. Matoba

Section Β Convention Center Room 6E Plant Biotechnology Issues Associated with Transgenic Technologies

P. L. Gepts, A. Lopez-Munguia, Organizers 1:30—37. Crop transgenes in natural popula tions. N. C. Ellstrand 2:00—38. Biosafety regulation and its conse quences for the rural development in Mex ico. A. Gélvez, M. Chauvet 2:30—39. Trends in U.S. consumer attitudes toward food biotechnology. D. B. Schmidt 3:00—Intermission. 3:15—40. Regulating the revolution: A discussion of U.S. plant biotechnology regulations. Ε. Ε. Burns 3:45—41. Ethical concerns in the institution al context of the development of genetical ly modified foods. S. Dundon 4:15—42. Labeling policy for GMOs: Choic es, benefits, and costs. J. A. Caswell 4:45—Discussion.

8:00-10:00 43. Antiobesity effects of green tea and its three components in mice. K. Sayama, S. Lin, G. Zheng, I. Oguni 44. Protective effects of several foods on mutagen-induced DNA damage. M. Miwa 45. Modulation of cytokine gene expression by curcumin. M. M. Chan, H. I. Huang, D. Fong 46. Evaluation of the radical-scavenging ac tivity of Grifola frondosa (Maitake). K. Tazawa, H. Namikawa, H. Ohkami, T. Saito, M. Watanabe 47. Inhibitory effects of MGN-3 (modified arabinoxylane) from rice bran on free radi cal. K. Tazawa, H. Namikawa, H. Ohkami, T. Saito, M. Masada, H. Maeda 48. Absorption and metabolism of dietary polyphenols. A. J. Day, G. Williamson, M. R. A. Morgan 49. Effect of purified green and black tea polyphenols on cytosolic phospholipase A2 and arachidonic acid release in human gastrointestinal cancer cell lines. J. Hong, J. Ju, C. S. Yang 50. Fractionation and antioxidant activity of cranberry fruit extracts. C. C. Neto, G. B. Hammond, B. T. Murphy, J. M. Currin, X. Yan 51. Fructosylarginine: An antioxidant in the garlic extract generated during the aging process. K. Ryu, N. Ide, K. Ogasawara, H. Matsuura, R. T. Rosen 52. Functional raw starch-binding domain of barley α-amylase expressed in E. coli. B. K. Tibbot, D. W. S. Wong, G. H. Robert son 53. Possible role for methyl jasmonate and salicylate in resistance of hazelnut trees to eastern filbert blight. A. Hoffman, G. Graziano 54. Principal pathway of arginine degradation in Korean soy sauce associated with ethyl carbamate formation. E. Koh, Y-K. L. Kim, H. Kwon 55. Novel method for the determination of 4-hydroxy-2-alkenals and its application to foodstuff. J. Surh, H. Kwon 56. Supercritical fluid extraction and highperformance liquid chromatographic deter mination of phloroglucinols in SaintJohn's-wort (Hypericum perforatum L). Y. Cui, L. N. Reed, C. Y. W. Ang 57. Ultrasonic extraction and HPLC analysis of flavonoids, naphthodianthrones, and phloroglucinols in Hypericum perforatum. C. Y. W. Ang, Y. Cui 58. Analysis of ethynyl estradiol in casein meal irradiated using electron-capture gas chromatography. C. L. Holder, L. G. Rushing, S. M. Billedeau, P. H. Siitonen, D. W. Miller 59. Confirmation of a colorimetric indole method in shrimp by GC-MS. S. L. Snellings, N. E. Takenaka, Y. Kim, D. W. Miller 60. Withdrawn. 61. Triterpene saponins from blue cohosh. J-W. Jhoo, S. Sang, C-T. Ho 62. Corn stover composition: Variability by lo cation and harvest year. D. W. Templeton, B. R. Hames, J. D. Mcmillan 63. Deactivation of soybean trypsin inhibitors by tea polyphenol complexation. H. H. Li ang, H. H. Huang, K. C. Kwok 64. Drying of mango in a heat pump dryer: Drying kinetics and shrinkage. H. Xiang, M. S. Uddin, M. N. A. Hawlader 65. Effect of dissolved organic material on phosphate adsorption in southwest Michi gan soils: pH and DOM identity effects. C. J. Dunlap, A. J. Dooms, L. A. Schreeg 66. Free-radical scavenging and antioxida tive activity of caffeic acid and its deriva tives. S. Son, B. A. Lewis


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67. Distributions of flavonoids and hydroxycinnamates in orange fruit. J. A. Manthey, K. Grohmann 68. Replacement of formic and sulfuric acids by urea sulfate in the processing of bovine hides into leather. A. G. Gehring, D. G. Bailey, J. M. Cardamone, G. L. DiMaio 69. Analysis of pesticides in green peppers by gas chromatography using electron capture detection. H. A. Lujan-Upton, S. Lai, D. Mangar 70. Comparison of actinomycetes present in wild and cultivated cranberry beds. D. J. Ellis, K. Bergman, F. Caruso, G. Brissette, N. Sheppard, F. Scarano 71. Analysis of chloroplast DNA to distin guish intraspecific populations of the cran berry parasite Cuscuta gronovii. D. J. Ellis, A. Kim, H. Sandler, J. E. Darga, D. Keeney, T. A. Bewick 72. Computer simulations of heat flow and heterocyclic amine mutagen formation in pan-fried meat patties. N. L. Tran, C. P. Salmon, M. G. Knize, M. E. Colvin 73. Separation and identification of naturally occurring flavonoids in processed alfalfa concentrates by reversed-phase HPLC us ing UV photodiode array and fluorescence detectors. P. G. David, K. W. Gellenbeck 74. Biosynthesis of dinophysistoxin-5. G. R. Macpherson, J. A. Walter, I. W. Burton, J. L. C. Wright 75. Polysaccharides of fetus of Punica granatum. R. N. Normaxmatov, N. K. Holmirzaev, A. N. Holmirzaev 76. Macro- and microelements of fetus of Pu nica granatum. N. K. Holmirzaev, R. N. Normaxmatov, A. N. Holmirzaev

TUESDAY MORNING Section A Convention Center Room 6D • Joint ACS-ISoFF Symposium on Food Factors for Health Promotion

T. Nakayama, F. Shahidi, S. Watanabe, Presiding 8:00—Introductory Remarks. 8:05—77. Lack of evidence for the intestinal absorption of isoflavone β-glucosides in the intact rat. S. Barnes, J. Xu, M. Smith, M. Kirk 8:35—78. Soybean isoflavone: Recent stud ies and products in Japan. K. Takamatsu 9:05—79. Actions of dietary soy vs. Premarin in mammalian brain. H. Kim, H. Xia, L. Li, J. Gewin 9:35—Intermission. 9:50—80. Citrus polymethoxyflavone, nobiletin: Its anti-inflammatory and chemopre ventive potentials and bioavailability. A. Murakami 10:20—81. Affinity of flavonoids and isoflavonoids for lipid bilayers. T. Nakayama 10:50—82. 8-Hydroxyisoflavones and 6-hydroxydaidzein from soybean miso and dou-chi. A. Hirota, M. Inaba, Y-C. Chen, N. Abe, S. Taki, M. Yano, S. Kawaii 11:20—83. Phytochemicals and their freeradical-scavenging activity of almond skin. S. Sang, R. T. Rosen, P. A. Lachance, W-S. Jeong, K. Lapsley, C-T. Ho

Section Β Convention Center Room 6E Combinatorial Methods for Agriculture and Food-Processing Applications

D. Wong, G. H. Robertson, Organizers, Presiding 8:15—84. Agricultural needs and combinato rial tools. G. H. Robertson, D. W. S. Wong 8:45—85. Molecular breeding technology for agriculture and food. W. P. C. Stemmer 9:15—86. Directed evolution of biosynthetic pathways. F. H. Arnold, D. Umeno 9:45—87. Accessing carotenoid diversity through molecular breeding of biosynthet ic pathways. C. Schmidt-Dannert 10:15—Intermission. 10:30—88. Mixtures in combinatorial librar ies: The balance between completeness and efficiency. R. A. Houghten 11:00—89. Development of molecular breed ing of yeast by cell surface engineering. M. Ueda, A. Tanaka


11:30—90. Protein engineering through in cremental truncation. M. Ostermeier

WEDNESDAY MORNING

TUESDAY AFTERNOON

Convention Center Room 6D

Section A Section A

• Joint ACS-ISoFF Symposium on Food Factors for Health Promotion

Convention Center Room 6D • Joint ACS-ISoFF Symposium on Food Factors for Health Promotion

J. Terao, T. Osawa, C-T. Ho, Presiding 1:10—Introductory Remarks. 1:15—91. Benefits of wine ingestion and re cent results. M. Sato 1:45—92. Inhibition of carcinogenesis by tea aqueous nondialysates fractionated from crude tea extracts. Y. Nakamura, M. Isemura, M. Kuroyanagi, T. Noro, T. Tsuneyoshi, K. Yoshino 2:15—93. Protective effect of β-carotene on UVA and visible-light-induced photooxidation of mouse skin in ex vivo system. J. Te rao, N. Bando, H. Hayashi, R. Yamauchi 2:45—Intermission. 3:00—94. Cranberries: Powerful in vitro and in vivo source of antioxidants. J. A. Vin son, J. Proch, P. Bose, P. Taffera, L. Dick, M. Su 3:30—95. Structure and genetic variation of cranberry proanthocyanidins that inhibit adherence of uropathogenic P-fimbriated E. coli. N. Vorsa, A. B. Howell, L. Y. Foo, Y. Lu 4:00—96. Atheloscrelosis prevention of poly phenols in cacao products. N. Osakabe, T. Kurosawa, M. Natsume, S. Baba, A. Yasuda, T. Takizawa, J. Terao, K. Kondo 4:30—97. Health-promoting components in citrus fruits and their products. W. W. Widmer, S. Nagy

H. Ohigashi, H. Nishino, R. T. Rosen, Presiding 8:00—Introductory Remarks. 8:05—104. Terpenoids and carotenoids as health-promoting food factors. H. Nishino, Y. Satomi 8:30—105. Carotenoids as scavengers and/ or quenchers against active oxygen spe cies. W. Miki 8:55—106. Carotenoid and polyphenol con tent of different tomato cultivars and relat ed antioxidant activity. P. Pietta, P. Mauri, C. Gardana, P. Simonetti, G. Soressi 9:20—107. Anticataract effect of Chlorella (carotenoid-rich green algae) on diabetic rats. S. Shibata, V. C. Nguyen 9:45—Intermission. 10:00—108. Chemical and biological proper ties of sulfur-containing compounds de rived from garlic. Y. Kodera, H. Matsuura, H. Sumiyoshi, S. Sumi 10:25—109. Selection of excellent garlic stock having potent GST induction activity and the analyses of its constituents. Y. Morimitsu, K. Kubota, T. Tashiro, T. Osa wa, K. Uchida 10:50—110. Comparison of inhibitory effect of Sawa-wasabi (Wasabia japonica) on the growth of Helicobacter pylori. N. Kinae, H. Masuda, S. Kaneko, M. Furugori, K. Shimoi 11:15—111. Redox regulation of cellular re sponses induced by benzyl isothiocyanate. Y. Nakamura

Section Β

Section Β Convention Center Room 6E


Combinatorial Methods for Agriculture and Food-Processing Applications

General Papers

G. H. Robertson, D. Wong, Presiding 1:30—98. Application of combinatorial chem istry and biology for the generation of en zymes and enzymelike catalysts. D. S. Tawfik 2:00—99. Synthetic combinatorial libraries: An emerging approach toward the identifi cation of novel antimicrobial agents. S. E. Blondelle 2:30—100. Developing highly diverse nucle ic acid-encoded polypeptide libraries for the in vitro evolution of antibody mimics. P. A. Lohse 3:00—Intermission. 3:15—101. Rapid assessment of supercriti cal and near-critical technology for pro cess and analytical applications in agricul tural and food science. J. W. King, S. L. Taylor, F. J. Eller 3:45—102. Applications of combinatorial chemistry in the food industry. E. N. Vulfson 4:15—103. Improvement of barley α-amylase by directed evolution. D. W. S. Wong, S. B. Batt, C. C. Lee, B. K. Tibbot, G. H. Robertson

M. Tunick, Organizer 9:00—112. Endangered species: Death of 93 marine turtles (Chelonia mydas agassizii) found in Laguna Ojo de Liebre, Baja Cali fornia Sur, Mexico. L. R. Tovar, R. Rosiles, M. E. Gutierrez, A. R. Altamirano 9:20—113. Solid-phase microextraction ap plied to problems in food chemistry. F. Repnegg, E. Leitner, W. Pfannhauser 9:40—114. Formation of the heterocyclic ar omatic amine PhIP in model systems: Identification of precursors and intermedi ates. S. Zôchling, M. Murkovic, W. Pfannhauser 10:00—115. Characterization of the most intense odorants in Citrus clémentine Hort. M. G. Chisholm, J. A. Jell, D. M. Cass Jr. 10:20—Intermission. 10:35—116. Chlorination of soy polyphenols enhances antioxidant properties compared to parent compounds. B. J. Boersma, R. Patel, M. C. Kirk, N. Botting, M. Oldfield, V. Darley-Usmar, S. Barnes 10:55—117. Application of parallel HPLCMS-ELSD to natural product libraries. P. Cremin, L. Zeng 11:15—118. Antioxidant and anticancer activities of various apple cultivars. M. V. Eberhardt, R. Liu, N. L. Smith, C. Y. Lee 11:35—119. Whole freeze-dried tomatoes lower total and LDL plasma cholesterol in hamsters. W. H. Yokoyama, M. Friedman

1:40—121. Isolation and identification of bioactive compounds from licorice (Glycyrrhiza glabra). B. C. Vastano, M. M. Rafi, R. S. DiPaola, C-T. Ho, N. Zhu, R. T. Rosen 2:05—122. Intestinal epithelium may act as a transducer of food factors: Detection of novel food factors that modulate the body function via the intestinal epithelium. M. Shimizu 2:30—123. Identification of novel hypocholesterolemic peptide derived from bovine milk β-lactoglobulin. S. Nagaoka, Y. Futamura, K. Miwa, T. Awano, K. Yamauchi, Y. Kanamaru, K. Tadashi, T. Kuwata 2:55—Intermission. 3:10—124. Structural modification to improve psyllium functionality. L. Yu 3:35—125. Electrolyzed dilute NaCI solution as a useful functional solution. T. Suzuki, K. Miyashita, M. Watanabe 4:00—126. Effects of antioxidants on photo sensitized degradation of methionine by ri boflavin. S. Muranishi, H. Masuda, S. Kiyohara, S. Kaneko, T. Ueno, C-T. Ho 4:25—127. Galacto-oligosaccharide forma tion from lactose by Aspergillus oryzae β-galactosidase enzyme immobilized on fi brous matrix. N. Albayrak, S-T. Yang

Section Β

•


φ Environmental Issues M Materials ^

Medicinal & Pharmaceutical

•


*

Presidential Series


Controlled Release Systems for Food General Systems

S. Shefer, M. A. Eckert, Organizers 1:30—139. Combined enzyme substrates in a single bead for antibacterial agent pro duction on food. M. Jacquot, D. Poncelet 2:05—140. Bioavailability enhancement of nutritional supplements: New anticancer and chemopreventive ingredient. I. C. Ja cobs, M. A. Zeligs 2:35—141. Effect of water structuring solutes on volatile flavor delivery. E. N. Friel, R. S. Linforth, A. J. Taylor 3:05—142. Prediction of the effects of water activity and temperature on solute diffu sion in food polymers. M. E. Yildiz, J. L. Kokini

AGRO

Controlled Release Systems for Food Solid-Phase Systems

S. Shefer, M. A. Eckert, Organizers 1:30—128. Flavor release from food matri ces with different water contents. I. Goubet, J. L. Le Quere, E. Semon, A. Voilley 2:05—129. Comparison of drying processes for the encapsulation of flavors. R. A. Buf fo, G. A. Reineccius 2:35—130. Effects of agglomeration on the properties of spray-dried encapsulated fla vors. R. A. Buffo, K. Probst, G. Zehentbauer, Z. Luo, G. A. Reineccius 3:05—Intermission. 3:25—131. Hot melt coating: Process and applications. M. R. Ewing 3:55—132. Stabilization of food flavors by β-cyclodextrin. A. Hedges, C. McBride, Z. H. Qi 4:25—133. New matrices to control aroma release. S. Shefer, A. Shefer

THURSDAY MORNING Convention Center Room 6D Controlled Release Systems for Food Liquid-Phase Systems

S. Shefer, M. A. Eckert, Organizers 9:00—134. Controlled release of flavors from precursors in a microemulsion system. A. J. Taylor 9:35—135. Acacia gums: Applications as emulsifier and encapsulating agents. F. Thevenet 10:05—Intermission. 10:25—136. Theory for controlled release systems in defense of foods. E. Kouali, I. D. Rosea, J. M. Vergnaud 10:55—137. Controlling flavor release from food gel systems. R. S. Linforth, I. Baek, S. Besnard, A. J. Taylor 11:25—138. Effects of type of atomization and processing temperatures on the phys ical properties and stability of spray-dried flavors. R. A. Buffo, J. Finney, G. A. Re ineccius

Section A Convention Center Room 6D * Joint ACS-ISoFF Symposium on Food Factors for Health Promotion

DIVISION OF AGROCHEMICALS T. D. Spittler, Program Chair

SOCIAL EVENT: Social Hour, Tue BUSINESS MEETING: Sun

SUNDAY AFTERNOON Section A Convention Center Room 7A Synthesis and Chemistry of New and Potential Agrochemicals

D. R. Baker, J. G. Fenyes, Organizers D. R. Baker, Presiding 1:00—1. Preparation and herbicidal activity of 3-sulfonyl-substituted benzoylpyrazoles. T. L. Siddall, G. M. Garvin, M. R. Weimer, J. A. Turner 1:30—2. 3-Azabenzoylpyrazole herbicides. Z. Benko, S. Shinkle, J. McQuiston, J. Webster, J. Jackson, G. Garvin, J. Turner, M. Ricks, D. Ouse, E. Patterson, M. Wei mer 2:00—3. Benzoyl-1,3-disubstituted pyrazole herbicides. G. M. Garvin, Z. Benko, W. C. Lo 2:30—4. Pyridine as a replacement for the phenyl moiety of benzoylpyrazoles. J. D. Webster, Z. L. Benko, G. J. deBoer, G. G. Garvin, J. Jackson, B. A. Lorsbach, J. Mc Quiston, T. Siddall, M. G. Smith, J. A. Turner, J. C. Van Heertum, M. R. Weimer 3:00—Intermission. 3:20—5. Preparation and herbicidal activity of 2-pyridinoyl pyrazoles. B. A. Lorsbach, M. G. Smith, J. D. Webster, M. R. Weimer, D. L. Camper, J. A. Turner 3:50—6. Diphenylpyrazole herbicides. M. G. Smith, T. P. Martin, T. A. Walsh, P. R. Schmitzer, C. N. Yerkes, M. R. Weimer, R. D. Johnston, M. Hopkins, S. E. ErhardtZabik, G. J. deBoer 7. Withdrawn.

Section Β

M. Shimizu, K. Miwa, C-T. Ho, Presiding 1:10—Introductory Remarks. 1:15—120. Divergent effects of conjugated linoleic acid isomers on the arachidonic acid metabolism of NCI-N87 cells. S. J. Park, S. J. Kim, K. A. Park, J. K. Kim, Y. R. Kim, K. W. Shim, Y. L. Ha



WEDNESDAY AFTERNOON

A Catalysis

THURSDAY AFTERNOON

Convention Center Room 5A Young Scientists Recognition Award

A. Felsot, Organizer, Presiding Photographing of slides and/or taping of talks is prohibited unless permission is obtained from individual presenters

1:00—8. Assessing the reactivity of pesti cides in air. V. Hébert, C. Hoonhout, G. C. Miller

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1:30—9. Measuring and modeling the transport of pesticides and soil in runoff from fresh-market vegetable production. P. J. Rice, C. J. Hapeman, L. L. McConnell, A. M. Sadeghi, A. R. Isensee, L. P. Heighton, J. A. Harman-Fetcho, R. D. Wauchope 2:00—10. Fate and transport of antibiotics in soil: Impacts of land-applied animal manure fertilizers. R. Goldfish, D. S. Aga 2:30—Intermission. 2:45—11. Identification of components of Osage orange fruit (Madura pomifera) and their repellency to German cockroaches (Blattella germanica). C. Peterson, J-W. Zhu, J. R. Coats 3:15—12. Specific adhesion to cellulose and hydrolysis of organophosphate pesticides by a genetically engineered E. coli coexpressing cellulose binding domain and organophosphorus hydrolase. A. A. Wang, A. Mulchandani, W. Chen 3:45—13. High levels of Heliothis virescens resistance and cross-resistance to Cry1 toxins are related to reduced toxin binding and pore formation, and altered glycosylat e . J. L. Jurat-Fuentes, F. L. Gould, M. J. Adang

MONDAY MORNING Section A Convention Center Room 7A International Award for Research in Agrochemicals: Environmental Fate of Agrochemicals

S. A. Mabury, K. L. Armbrust, J. N. Seiber, Organizers J. N. Seiber, J. W. Hylin, Presiding 8:00—Introductory Remarks. J. Seiber 8:15—14. Shedding light on pesticides. D. G. Crosby 9:05—15. Wind tunnel and chamber experiments to study volatility and photodegradation of pesticides. F. W. Fuhr, T. Kramer, H. Ophoff, A. Stork 9:25—16. Reaction rate of metallic mercury with hydroxyl radical in the gas phase. G. C. Miller, J. Quashnick, V. Hébert 9:45—Intermission. 10:05—17. Influence of dissolved organic matter on agrochemical photoreactions in aquatic environments. R. Zepp, Ε. Μ. White, P. P. Vaughan 10:25—18. Indirect photodegradation of pes ticides: The role of hydroxyl and carbonate radicals. S. A. Mabury 10:45—19. Impact of environmental fate data requirements on registration of agrochem icals. A. C. Barefoot

Section Β Convention Center Room 10 Applications of Geographical Information Systems and Remote Sensing in Pest Management

M. A. Saleh, Organizer, Presiding 9:30— Introductory Remarks. 9:40—20. Hyperspectral imaging of vegeta tion: What can it do? A. F. H. Goetz

A Catalysis • Chemistry & Computers • Environmental Issues M Materials 1ΒΓ Medicinal & Pharmaceutical

• Petroleum, Fuels & Related Chemistry 4» Presidential Series

Ik

C&EN/

M A R C H 5,

2001

10:00—21. Mapping selected noxious weeds using remote sensing and geographic in formation systems. D. E. Johnson, N. R. Harris, M. Louhaichi, G. M. Casady, M. M. Borman 10:20—22. FFT analytical methods for com paring images in remote sensing. G. L. Anderson, K. Peleg 10:40—Intermission. 10:55—23. Detection of leafy spurge infesta tions via imaging spectroscopy using the compact airborne spectrographic imager. R. Root, R. Kokaly, K. Brown, G. L. Anderson, S. Hager 11:15—24. Evidence from above: The role of SPOT satellite imagery in agriculture. R. Etter 11:35—25. Application of GPS/GIS technolo gy in pest management. A. Wadwani

3:50—40. 3-D mapping of pesticide disposi tion in animals using GIS software. M. A. Saleh 4:10—Concluding Remarks. M O N D A Y EVENING Convention Center Sails Pavilion Sci-Mix

T. D. Spittler, Organizer, Presiding 8:00-10:00 10. See previous listing.

67, 85, 84, 72, 66, 86, 65, 70, 73, 71, 69, 68, 83, 79. See subsequent listings.

Section A

Convention Center Room 7A International Award for Research in Agrochemicals: Environmental Fate of Agrochemicals

S. A. Mabury, Presiding 1:00—Introductory Remarks. S. Mabury 1:15—26. Occurrence and distribution pat tern of PCB and toxaphene residues among salmonid fishes from lakes at se lected locations of Sierra Nevada. F. Matsumura, K. Ohyama, D. Dunlap, J. Angermann 1:35—27. Sulfoxidation of molinate: Corollar ies between environmental chemistry and toxicology. M. G. Miller, W. T. Jewell, W. L. Phillips 1:55—28. Advanced oxidation methods to degrade pesticides in aqueous solutions. A. T. Lemley, D. A. Saltmiras, S. Hong, Q. Wang 2:15—29. Metabolic fate of substituted phe nols in aquatic organisms. R. S. Tjeerdema 2:35—Intermission. 2:55—30. Agrochemical transport in Chesa peake Bay watersheds. G. D. Foster, E. Roberts Jr., T. B. Huff, C. V. Miller 3:15—31. Fate of turf pesticides in aquatic ecosystems. K. L. Armbrust 3:35—32. Fate and kinetics of carfentrazeethyl herbicide in California flooded rice fields. K. K. Ngim, D. G. Crosby 3:55—33. Near-UV quantum yields for rotenone and piperonyl butoxide in water. W. M. Draper

Section Β Convention Center Room 5A-B Applications of Geographical Information Systems and Remote Sensing in Pest Management

J. H. Everitt, Presiding 1:30—Introductory Remarks. 1:35—34. Hyperspectral remote sensing for invasive species detection and mapping. S. L. Ustin, G. Scheer, D. DiPietro, E. Un derwood, K. Olmstead 1:55—35. A five-year comparison of leafy spurge (Euphorbia esula) populations us ing remote sensing and geographic infor mation systems. G. L. Anderson, C. W. Prosser, R. Root, R. Kokaly, S. Hager, B. Foster 2:15—36. Future directions in remote sens ing for detection of invasive plants. R. Root, R. Kokaly, K. Brown, G. L. Ander son 2:35—37. Discriminating leafy spurge spec tral signature from native vegetation using field reflectance measurements from The odore Roosevelt National Park, N. Dak. R. Kokaly, R. Root, K. Brown, S. Hager, G. L. Anderson 2:55—Intermission. 3:10—38. Using aircraft remote sensing and spatial information technologies for pest management. J. H. Everitt, D. E. Escobar, R. M. Davis 3:30—39. Calibration of compact airborne spectrographic imager data to surface re flectance at Theodore Roosevelt National Park. R. Kokaly, R. Root, K. Brown, G. L. Anderson, S. Hager

Section Β Convention Center Room 5A

TUESDAY MORNING MONDAY AFTERNOON Section A

1:35—52. Harpin technology: Combining bio technology and green chemistry to har ness natural plant defense and growth systems for safer and more efficient crop production. F. S. Betz 2:10—53. Role of modeling in pesticide reg ulation. C. Lunchick 2:45—Intermission. 2:55—54. Pesticide risk management: Bio logical exposure indices could provide more useful data than hypothetical margins-of-exposure. R. I. Krieger 3:30—55. Spray it right today for fewer pes ticide regulations tomorrow. Η. Ε. Ozkan 4:05—Panel Discussion. 4:25—Concluding Remarks.

Convention Center Room 7A International Award for Research in Agrochemicals: Environmental Fate of Agrochemicals

Bioanalytical Techniques for Environmental Monitoring: Immunochemistry Summit IX

B. J. Queen, J. M. Van Emon, Organizers J. M. Van Emon, Presiding

J. N. Seiber, S. A. Mabury, Organizers K. L. Armbrust, Presiding 9:00—Introductory Remarks. Kevin Armbrust 9:15—41. Assessing agrochemicals for the PBT attributes. D. Mackay, E. Webster, T. Gouin, I. T. Cousins 9:35—42. Distribution of some organic con taminants in selected western U.S. atmo spheric and surface waters. J. N. Seiber, T. Cahill, J. E. Woodrow 9:55—43. Generation and atmospheric fate of pesticides on airborne soil dust. C. Anastasio, J. Higa, A. Clymo, B. Holmén, T. Young 10:15—Intermission. 10:35—44. Assessing the fate of chemicals at realistic concentrations: Applications of accelerator MS. J. P. Knezovich 10:55—45. Evaluation of earthworm chronic toxicity assays. L. Inouye 11:15—46. Environmental fate of propargyl bromide, a potential alternative to methyl bromide. S. K. Papiernik, J. Gan, S. R. Yates 11:35—Concluding Remarks.

Section Β Convention Center Room 5A Pesticide Regulation in the 21st Century

M. W. Brooks, P. Gregory, Organizers M. W. Brooks, Presiding 9:00—Introductory Remarks. 9:10—47. FQPA: Challenges/opportunities. D. Barolo 9:45—48. Federal pesticide registration. M. Mulkey 10:20—Intermission. 10:30—49. Future of pesticide regulation in California. P. H. Gosselin 11:05—50. Impact of pesticide regulations on the minor crop producer: A perspective from a Western consultant. R. C. Ehn

TUESDAY AFTERNOON Section A Convention Center Room 7A Pesticide Regulation in the 21st Century

J. Jenkins, Presiding 1:00—51. Regulation of genetically modified crops: An evolving scenario. P. Gregory, R. Tinsworth

1:00—Introductory Remarks. 1:05—56. Enzyme assays on microchip plat forms. M. Chatrathi, J. Wang 1:30—57. Heterofunctional biochip for envi ronmental monitoring. T. Vo-Dinh 1:55—58. Sol-gel-based immunochemical monitoring of environmental chemicals. M. Altstein, A. Bronshtein, N. Aharonson 2:20—59. Environmental analysis in the field using an NRL biosensor. A. W. Kusterbeck, L. Shriver-Lake, D. B. Holt, C. H. Patterson, P. R. Gauger, P. T. Charles 2:45—Intermission. 3:00—60. Biomimetic arrays for optical multisensing. I. Surugiu, J. Svitel, E. Dey, B. Danielsson 61. Withdrawn. 3:25—62. Detection of glyphosate in water using an affinity-enhanced enzyme-linked immunosorbent assay. L. R. Zimmerman, B. S. Bhullar, E. M. Thurman

Section C Convention Center Sails Pavilion General Poster Session

1:30-3:30 T. D. Spittler, Organizer, Presiding Action and Pathways 63. Aerobic aquatic metabolism of [14C]cyhalofop-butyl. J. K. Smith, L. K. Graper, K. Smith 64. Metabolism and residue decline of [14C]tylosin in tissues and eggs of laying hens. J. L Marth, T. J. Burnett, D. E. Kiehl, D. H. Da, S. C. Fossler 65. Evaluation of nicarbazin as a contracep tive for management of pest waterfowl. J. J. Johnston, W. M. Britton, T. M. Primus, M. J. Goodall, C. A. Furcolow, T. L. Buttgenbach, A. MacDonald 66. Determination of the biochemical path way for the formation of bisglutathione conjugates of propargyl alcohol in rat urine using deuterium-labeled propargyl alcohol. A. R. Banijamali, R. J. Strunk, M. H. Gay, V. DeMatteo 67. 2,5-Diamino-p-benzoquinone derivatives as root growth and respiration inhibitors. M. L. Gonzalez-Ibarra, B. LotinaHennsen, N. Farfân 68. Specific adhesion to cellulose and hydrolysis of organophosphate pesticides by a genetically engineered E. coli coexpressing cellulose binding domain and organophosphorus hydrolase. A. A. Wang, A. Mulchandani, W. Chen 69. Persistence of diflubenzuron on soybean leaves. L. M. Southwick, J. L. Fouss, M. M. Willrich, D. J. Boethel 70. Humus regime of grey-earth soils of the Republic of Uzbekistan. T. K. Ortikov, O. T. Tashkenbaev



71. Optimization of employment of nitric fer tilizer and inhibitors of nitrification in culti vating cotton plants in the conditions of the Zarafshan Valley. S. I. Jabborov, T. K. Ortiqov, F. K. Kushatov, S. S. Mardonov Discovery 72. Convenient synthesis of insecticidal 4-alkynyloxazolines. D. Clark, D. A. Tra vis, R. Lett 73. Improved synthesis and fungicidal activi ty of analogs of 1-methoxy-3-carboxyindole. V. Ivory, F. R. Green III 74. Discovery of benzoyl-3-phenylpyrazole herbicides. W. C. Lo, Z. Benko 75. Bisalkylsulfonylated benzoylpyrazoles: Synthetic methods for incorporating two alkylsulfonyl groups in a tetrasubstituted aromatic ring. Z. Benko, T. Siddall, G. Garvin, S. Shinkle 76. Synthesis and herbicidal activity of sulfonamide-substituted benzoylpyrazoles. J. A. Turner, J. C. Van Heertum, M. R. Weimer, J. M. McQuiston 77. Structure-activity relationships of the spinosyns and spinosoids. L. Dintenfass, C. V. DeAmicis, J. E. Dripps, G. D. Crouse, J. Gifford, G. Durst, T. C. Sparks 78. Synthesis of 1,5-diaryl-4-cyanopyrazole3-carboxylate herbicides: Microtubulin in hibitors with carboxylic acid functionality. T. P. Martin, M. G. Smith, R. D. Johnston, M. Hopkins, C. N. Yerkes, M. R. Weimer, T. A. Walsh, P. R. Schmitzer, J. Gray, R. Neal 79. Studying sodium chlorate defoliant activ ity by 2-chlorethylphosphonate. Z. A. Aminov, K. S. Mamadiyorova, K. K. Kucharov, A. K. Yusupov Residues and Methods 80. Photovolatility chamber to study photodegradation and volatilization of pesti cides: Results on parathion-methyl. T. U. Kromer, F. W. Fuhr 81. Pesticide handler exposure: Day-to-day urine biomonitoring of commercial applica tors. T. M. Dinoff, C. E. Bernard, M. Oliv er, R. L. Williams, R. I. Krieger 82. Use of a human microsomal library for metabolite elucidation, assay develop ment, and biological monitoring of occupa tional^ relevant compounds. C. A. F. Striley, J. E. Snawder, R. E. Biagini 83. Sterol compounds in agricultural runoff into Chesapeake Bay tributaries. T. B. Huff, G. D. Foster, C. V. Miller, K. Lauer 84. Artifact impurities found in gradient HPLC analysis: Effect of the reagent source and quality on the number and concentration of artifact impurities. K. J. Norris Jr., B. Nickerson, S. Izquierdo 85. Application of an immunoaffinity column as a sample cleanup method for the β-adrenergic agonist ractopamine and its metabolites. W. L Shelver, D. J. Smith 86. Development of an ELISA for the herbi cide isoxaflutole. J. J. Brandi, D. S. Aga, K. Kramer, B. Hock 87. Immunochemical techniques for the sim ple and rapid determinations of imazalil and inabenfide in agricultural products. E. Watanabe, Y. Tsuda, T. Osone, H. Moritaka, Y. Yuasa, H. Nakazawa 94 Water-solubilization kinetics of recent and aged diuron residues in soil. C. PerrinGanier, M. Voltz, M. Schiavon, C. Saison η

WEDNESDAY MORNING Section A Convention Center Room 7A General Papers

T. D. Spittler, Organizer D. S. Aga, Presiding 8:30—Introductory Remarks. 8:35—88. Recommendations to avoid ineffi cient mixing of agrochemicals in sprayer tanks. H. E. Ozkan, R. D. Fox 8:55—89. Trends in monitoring trace con taminants in the San Francisco Bay, Calif. S. Datta, J. J. Baum, T. M. Young 9:15—90. Biological marker compounds for glyphosate and sulfonylureas applications are proportional in plant tissue field trials. K. A. Anderson, B. Loper, W. Cobb 9:35—91. Degradation of 2,4-D by anodic Fenton treatment: Optimization and kinetic model. Q. Wang, A. T. Lemley 9:55—Intermission. 10:30—92. Inhibition of adsorption on chem ical transformation of pesticides in soil. J . Gan, Q. Wang, S. K. Papiernik, S. R. Yates 10:50—93. Predicting pesticide volatilization from bare soil surfaces. S. R. Yates, S. K. Papiernik, J. Gan 11:10—95. Photolysis of the systematic fun gicide propiconazol. C. Parkanyi, O. R. Martinez

Section Β Convention Center Room 5A Bioanalytical Techniques for Environmental Monitoring: Immunochemistry Summit IX

S. Ben-Rejeb, Presiding 8:30—96. Human exposure assessment us ing immunoassay. J. M. Van Emon, W. C. Brumley, A. W. Reed, J. C. Chuang 8:55—97. Development of compound, class, and metabolite immunoassays for pyrethroid insecticides. G. Shan, W. Takaho, D. W. Stoutamire, S. J. Gee, B. D. Ham mock 9:20—98. Simple monoclonal-based ap proach for the multianalyte immunoassay of pesticides. A. Montoya, A. Abad, M. J. Moreno, J. J. Manclus, J. V. Mercader 9:45—Intermission. 10:05—99. Recombinant libraries for pesti cide antibodies. B. G. Hock, K. Kramer 10:30—100. Using chiral and nonchiral anti bodies to determine the concentration of the S and R enantiomers of metolachlor in water. J. F. Brady, J. L. Needham, T. S. Fan, B. A. Skoczenski 10:55—101. Polyclonal antibodies against environmental pollutants and improvement in production methods. E. P. Meulenberg

WEDNESDAY AFTERNOON Section A Convention Center Room 7A HPLC/MS as Applied to the Analysis of Agrochemicals

R. A. Grazzini, A. J. Krynitsky, Organizers

2:25—123. Determination of thiram in river water by LC/MS. B. L. Barber, W. C. Koskinen, O. Shakaliene 104. Withdrawn. 2:50—Intermission. 3:00—105. Matrix effects in quantitative LC/ MS and LC/MS/MS. C. R. Powley 3:25—106. Multiresidue method for the de termination of sulfonylurea herbicides in soil by LC/MS. A. M. Schaner, C. Bene dict, L. Torma 3:50—107. Applications of ion trap LC/MS at the California Department of Food & Agri culture. P. H. Fitch 4:15—Concluding Remarks.

Section Β Convention Center Room 5A Bioanalytical Techniques for Environmental Monitoring: Immunochemistry Summit IX

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Convention Center Room 7A HPLC/MS as Applied to the Analysis of Agrochemicals

A. J. Krynitsky, Presiding 1:00—Introductory Remarks. 1:05—120. LC/MS analysis of cyclohexanedione herbicides in water and soil. L. J. Marek, B. L. Barber, W. C. Koskinen 1:30—122. CE/MS and its application to dif ficult compounds. D. Safarpour 2:20—124. LC/MS as a practical tool for de veloping residue enforcement methods. A. J. Krynitsky, J. W. Wong, C. A. Halverson, F. J. Schenck, L. V. Podhorniak, C. J. Stafford 2:40—Concluding Remarks.

J. M. Van Emon, Presiding 1:15—108. Development and optimization of immunochemical-based methods for the detection of hazelnut proteins in food products. S. Ben-Rejeb, M. Abbott, D. Davies, C. Cleroux, F. Le Goffic 1:40—109. Immunochemical studies of Campylobacter jejuni associated with food surfaces. D. L. Brandon, A. H. Bates, R. E. Mandrell 2:05—110. Determination of cadmium in hu man serum by a sensitive one-step immu noassay. D. A. Blake, I. A. Darwish 2:30—Intermission. 2:50—111. PAH-specific recombinant anti bodies as a test system for antibody engi neering. V. A. Roberts, J-L. Pellequer, A. E. Karu, B. Zhao, H-l. Kao, Q. X. Li, K. Li, S. Thomas 3:15—112. Field method for detecting atrazine in soil and water by phytotoxic site-of-action. C. Shea, V. J. Van Pelt 3:40—113. Fluorescence-based assay for chemical- and radiation-induced DNA damage. K. Ramanathan, A. Apostol, K. R. Rogers

ANYL DIVISION OF ANALYTICAL CHEMISTRY C. Fenselau, C. L. Wilkins, Program Chairs

SOCIAL EVENTS: Reception, Sun Social Hour, Dinner, Mon BUSINESS MEETING: Sat

SUNDAY MORNING


Field Analytical Chemistry: Techniques, Technologies, and Applications cosponsored with Division of Environmental Chemistry (see page III)

HPLC/MS as Applied to the Analysis of Agrochemicals

SUNDAY AFTERNOON

R. A. Grazzini, Presiding

Hyatt Regency Regency Β

THURSDAY MORNING

9:00—Introductory Remarks. 9:05—114. A multianalyte pesticide residue screening method using GC/MS and LC/ MS. A. Sensue, R. A. Grazzini 9:30—115. Validating LC-MS/MS systems under 21 CFR part 11. K. Lloyd 9:55—116. Use of LC/MSn for multiresidue regulatory confirmation of veterinary drug residues in food products of animal origin. M. C. Carson, D. N. Heller, V. B. Reeves 10:20—Intermission. 10:30—117. Characterization of organic con stituents extracted from particulate materi al collected at commercial livestock opera tions in Iowa: Applications of LC/MS tech niques. T. R. Steinheimer, R. L. Pfeiffer, K. D. Scoggin 118. Withdrawn. 10:55—119. Regulatory HPLC method up grade with an MS/MS detector for nicarbazin in chicken tissue. A. McDonald, K. Lloyd 11:20—-Concluding Remarks.

A. J. Krynitsky, Presiding A Catalysis

THURSDAY AFTERNOON

1:30—Introductory Remarks. 1:35—102. Distributed general access mass spectrometry in residue sciences, metabo lism, and environmental chemistry. S. J. Stout, A. R. daCunha, H. Nejad, J. Xing, J. S. Fletcher 103. Withdrawn. 2:00—121. Application of mixed-mode SPE for the LC/MS determination of acidic her bicides. M. S. Young, C. R. Mallet, M. F. Early

New Developments in Enantiomeric Analysis Through Advances in Chiral Selective Separation and Detection

D. Bobbitt, Organizer, Presiding 1:30—Introductory Remarks. 1:35—1. Polymeric surfactants: New re agents for separating chiral compounds. I. M. Warner 2:05—2. Recent developments in the CE separation of enantiomers using singleisomer chiral resolving agents. G. Vigh, D. K. Maynard, W. Zhu, P. Glukhovskiy, B. M. Busby, S. Sanchez-Vindas, S. Li 2:35—3. Comparison of vibrational CD, elec tronic CD, and optical rotation for enantio meric purity determination of mixtures of chiral pharmaceutical molecules. L. A. Nafie, T. B. Freedman, C. Guo, R. K. Dukor, R. D. Shah 3:05—Intermission. 3:25—4. Enantioselective chromatography using carbon dioxide-based mobile phas es and polarimetric detection. F. Geiser, R. Shah, L. Bete 3:55—5. Real-time assessment of enantio meric purity in preparative-scale separa tions using a combined UV and polarimet ric detector response ratio. D. R. Bobbitt II, S. W. Under, G. W. Yanik 4:15—6. Analysis and fate of enantiomers of pesticides and other environmental pollut ants. A. W. Garrison, J. J. Ellington


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4:35—7. Utility of laser-based polarimetric and circular dichroism HPLC detection for pharmaceutical applications. T. J. Edkins, P. Meier, L A. Roseman, R. D. Shah S U N D A Y EVENING Convention Center Sails Pavilion General Posters

D. B. Chase, Organizer 7:00-9:00 8. "Universal" HPLC detector for combinatorial library quantitation in drug discovery? W. Li, M. Piznik, K. Bowman, J. Babiak 9. 2-D IR correlation spectroscopy for a biological matrix. A. Awichi, G. Srikanthan, W. Zhao 10. Clc operon/reporter gene-based sensing system for dihydroxylated (chloro-) biphenyls. X. Guan, H-M. Lehmler, L. G. Bâchas, S. Daunert 11. Activation of terminal alkynes by electrochemical reduction of [Cp*lr(lll)(TPPTS)(NCMe)2](OTf)2 in thin layer of water on gold electrode. W. Shin, D. Chong, C. S. Chin 12. Advantages of nonlinear laser-induced grating spectroscopic method over fluorescence methods for trace-concentration analysis. M. Lopez, J. A. Schafer, W. G. Tong 13. AFM imaging of 2-D DNA nanoarrays under atmospheric conditions. A. C. Dykes, M. Norton, W. L. Manner, N. Seeman, F. Liu 14. Analysis of corticosterone in rat plasma using electrospray ionization mass spectrometry. P. Marwah, A. K. Marwah, H. A. Lardy 15. Analysis of lead isotope ratios in standard reference materials. K. A. Givler, R. D. Foust Jr. 16. Analytical utility of sol-gel technology in the determination of environmental pollutants. N. Allison, M. O. Iwunze 17. Apertureless near-field scanning IR microscopy of rough surfaces. Β. Β. Akhremitchev, G. C. Walker 18. Application of covalently bound polymer multilayers for efficient metal ion sorption. J. S. Major, G. J. Blanchard 19. Application of scanning electrochemical microscope for probing redox activity of living cells. B. Liu, M. V. Mirkin 20. Are we not obsessed with linearity? A. K. Marwah, P. Marwah, H. A. Lardy 21. Assembly of alternating polymerized me diator and enzyme-modified electrode by layer-by-layer adsorption. S-l. Suye, H. Okada, S. Nojima, M. Sakakibara 22. Association of Yersinia enterocolitica phospholipase A2 with phospholipid Langmuir monolayers. A. B. Serfis, K. Grant, S. Brancato 23. Capillary electrophoresis coupled to the voltammetric detection of underivatized oligonucleotides. S. Brazill, W. Kuhr 24. Characterization of intermolecular forces in capillary electrochromatography using partition coefficients. L. L. Shultz-Lockyear, A. E. Cavender, B. S. Dossey 25. Characterization of kinetic behavior of ferrocene-tagged DNA at gold microelectrodes using sinusoidal voltammetry. S. Bender, S. A. Brazill, W. G. Kuhr 26. Characterization of lead glazes and lead leaching properties of glazed ceramics from the Solis Valley, Mexico, using induc tively coupled plasma mass spectrometry and diffuse reflectance Fourier-transform IR spectroscopy: Are we what we eat out of? S. C. Tunstall, R. Klein, S. DeCou, D. Amarasiriwardena 27. Characterization of stationary phases in GC and optimization of chromatographic separations by solvation parameter model. Q. Li, C. F. Poole 28. Characterization of thin colloidal Au mul tilayer films as optically transparent thinlayer electrodes. A. J. Osisek, J. N. Rich ardson 29. Chemiluminescence detection in capillary electrophoresis using an ultrafast cocatalyzed peroxyoxalate chemiluminescent reaction and electrokinetic reagent delivery. C. Kuyper, K. Denham, J. Dick son, J. Murray, R. Milofsky 30. Chiral HPLC analysis of vasoconstrictor degradation in local anesthetic injections. J. R. Ammann, F. Cancanon, B. F. Paulus, G. A. Thompson 76

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31. Chiral selective molecular sensors for amino acids by electrochemical detection. Y. Zhou, K. Levon, T. Nagaoka 32. Chloride determination in high ionic strength solution of ammonium acetate us ing negative ion electron spray ionization HPLC/MS. S. Liang, M. J. Kupferle, S. AlAbed, K. M. Korana 33. Column maintenance and lifetime. J. R. Fisher, S. J. luliano, K. O'Donnell 34. Conformational analysis of HPLC sepa rated 5-substituted cis- and trans- 2-phenyl-1,3,2-dithiarsenanes. P. C. Bossle, S. Malcom, G. W. Wagner, F-L. Hsu 35. Control of the immobilization of biomolecules at the nanoscale on cellulose nanofibers and carbon nanotubes. R. B. Iyer, J. Liu, S. M. C. Ritchie, V. Gavallas, J. Wang, J. Hestekin, D. Bhattacharyya, L. G. Bâchas 36. Cysteine-free mutant of aequorin: Application in the development of bioluminescence-based immunoassay for digoxin. S. Shrestha, I. R. Paeng, S. K. Deo, S. Daunert 37. Detection of optically transparent or weakly absorbing liquid-phase analytes using sensitive laser wave-mixing spectroscopy. J. Knittle, W. G. Tong 38. Determination of hydroxyl content by FTIR. K. L Angone, N. L. Coster 39. Determination of Langmuir sorption distributions of basic solutes in reversed-phase chromatography systems to characterize secondary eluite-stationary-phase interactions. B. J. Stanley, J. R. Krance 40. Determination of nitrite and nitrate in natural waters by surface-enhanced Raman scattering. E. Z. Gannon, B. Neely, B. D. Gilbert 41. Determination of the standard heterogeneous electron-transfer rate constant for nitrobenzene derivatives by use of electrochemical impedance spectroscopy. C. Kraiya, D. H. Evans 42. Deuterium NMR analysis of glycogen metabolism in liver cell. L. Cao, R. Yang, D. Sherry, C. Malloy, C. Newgard 43. Developing fluorescent probes for catechols. D. E. Stack, N. M. Burns, A. L. Hill, C. B. Diffendaffer 44. Development and application of a Cu(ll)sensitive Nafion-based optode. P. Iles, T. J. Sands, T. J. Cardwell, R. Catrell, J. Farrell, S. Kolev 45. Development of a long-term database to determine nutrient levels in Lake Greenwood, S.C. M. L. Deanhardt 46. Development of a reagentless biosensing system for glucose. B. V. Sharma, L. L. E. Salins, S. Daunert 47. Development of a sensing system for cAMP based on the cAMP receptor protein. S. Daunert, A. Feltus 48. Development of an assay for 6-keto PGF1a employing 15-hydroxyprostaglandin dehydrogenase: Sensing prostacyclin in physiological fluids. P. M. Douglass, S. K. Deo, C. M. Ensor, M. Madou, S. Daunert 49. Development of an electrically tunable, compensated, open cylindrical ion trap mass spectrometer. R. M. Danell, K. L. Ray, G. L. Glish 50. Development of bioinspired polymers for efficient nitric oxide delivery. Κ. Μ. Padden, A. S. Borovik 51. Development of the scanning electro chemical microscope for studying live mammalian cells in vitro. J. M. Liebetrau, J. E. Baur, P. A. Garris 52. Differential pulse voltammetry for a firstorder EC process. M-H. Kim, R. L. Birke, M-Z. Czae 53. Diffuse reflectance FTIR spectroscopic study of polar and polar-embedded sta tionary phases for normal and reversedphase HPLC. K. G. Proctor, C. P. Gonza les, C. A. Brown, L. Sandoval 54. DNA microarray technology in the human genome project. C. M. Sayes, S. A. Soper 55. Electric field directed self-assembly of nucleic acid probes and PNA-DNA hybrid ization reactions. L. Henke, W. Knoll 56. Electroactive polymer films contacted with supercritical carbon dioxide. J. C. Hutchison, D. Lee, J. M. DeSimone, R. W. Murray 57. Electrochemical analysis of thiamin pyro phosphate and other thiamin derivatives. J. A. Sutton, M. Shabangi

58. Electrochemical and surface analysis study of copper corrosion protection by 1 -propanethiol and propyltrimethoxysilane: A comparison with 3-mercaptopropyltrimethoxysilane. R. J. Tremont, C. R. Ca brera Sr. 59. Electrochemical response of hemoglobin at a surfactant-covered electrode. L. H. Rickard, G. J. Hager, J. M. Pigga 60. Electrochemistry in supercritical C0 2 . D. Lee, J. C. Hutchison, J. M. DeSimone, R. W. Murray 61. Electrochemistry of melanin films: Direct measurement of the reversible oxidation of DHI-melanin and its Cu and Zn adduct. S. Gidanian, P. J. Farmer 62. Electrospray mass spectrometry study of solvothermal growth of semiconductor nanocrystals. O. E. Raola, G. F. Strouse 63. Enhanced atomic force microscopy imag ing of DNA hybridization by utilizing DNAcapped gold nanoparticles. S. Han, J. Lin, F. Zhou 64. Enzyme electrodes for rapid amperometric blood glucose level determination. M. F. Sistare, P. Palmer 65. ESI- and MALDI-MS of aluminum pep tides and proteins. P. A. Limbach, J. A. Ragas, C. Patrick, M. E. Griggs, M. Bailey 66. Estimation of essential elements in fin gernail samples in nonindustralized Paki stani population. S. Kazi, R. Kazi, G. Kazi, T. Kazi, S. Ali 67. Estimation of receptor-ligand interactions by the use of a two-marker system in affin ity capillary electrophoresis. J. Kaddis, Y. Zhang, F. A. Gomez 68. Evaluation of association constants be tween basic enantiomers and sulfated cyclodextrins using counter-flow partial filling CE technique. A. H. Wu, D. C. Locke 69. Evaluation of calcium and magnesium in human scalp hair of local population of Hy derabad Sindh. S. Kazi, R. Pate I, G. Kazi, T. Kazi 70. Evaluation of metallic molecular bands in hybrid rocket plumes. L. Wilcox, K. Max well, M. K. Hudson 71. Fluorescence-based glucose sensors. P. Harms, Y. Kostov, G. Rao 72. Fragmentation of multiply charged pep tides: Effects of proline, arginine, aspartic acid, and histidine. J. C. Rose, E. M. Marzluff 73. Functionalized dendrimer monolayer as a platform for biospecific affinity sensing. H. C. Yoon, M-Y. Hong, D-E. Lee, H-S. Kim 74. Gold-coated Si0 2 modified with selfassembled monolayers as a potential sta tionary phase for liquid chromatography. Y. Ortiz, J. M. Cintron, L. A. Colon 75. Hardware tool for quantitation of meniscus-based artifacts in microplate readers. T. A. Beumer, W. Carpay 76. High-throughput analyses in nanoliter beakers using air segmentation in capillary tubes. D. M. Spence, M. Dittman 77. High-throughput in vivo pharmacokinetics studies and in vitro assays by using Beckman liquid handling system. X. Tong, J. Wang, I. E. Ita, S. Zheng, J. V. Pivnichny, P. Griffin 78. HPLC and MS analysis of enzymatically produced halogenated amino acids: Impli cations for biochemical pathways of phagocyte-mediated tissue injury. G. C. Yeh, J. P. Gaut, J. Byun, J. W. Heinecke 79. Hyperbolic wave propagative partial dif ferential equation solution in elution chromotography. K. R. Sharma 80. Identification of overlapping near-IR bands of the anomers of glucose using 2-D IR correlation spectroscopy. G. Sri kanthan, A. Awichi, W. Zhao 81. Immobilization of phosphorylated pro teins on alumina nanoparticles: Toward nanosize biosensors. J. Li, Y. Wang, J. Wang, M. Harvey, D. A. Atwood, L. G. Bâchas 82. In situ analysis of volatiles obtained from catalytic cracking of polyethylene. N. D. Hesse, R. Lin, E. Bonnet, J. Cooper III, R. L. White


83. In vitro assay for transgenic cotton plants. B-H. Zhang, H-M. Wang, F. Liu 84. Increased selectivity of electrochemical measurements using composite modified electrodes. S. D. Minteer, S. Brancato 85. Induced orientational anisotropy dynamics and inverse Raman spectroscopy of rhodamine 640. J. DelaCruz, G. J. Blanchard 86. Integration of genetically engineered sensing elements with a compact disc microfluidic platform. B. R. Wenner, P. M. Douglass, M. J. Madou, S. Daunert 87. Interrogating interactions of 7-azatryptophan with micelles. L. Kelepouris, G. J. Blanchard 88. Investigating diffusionless electron transfer of adsorbed cytochrome c through an attenuated total reflectance spectroelectrochemical geometry. W. J. Doherty III, N. R. Armstrong, S. S. Saavedra 89. Investigating hydrolytic polymerization of zirconium using the fluorescent probe 1-pyrenecarboxylic acid. J. J. Tulock, G. J. Blanchard 90. Investigation of model conjugated organic-organic interfaces by surface Raman spectroscopy. A. M. Hawkridge, D. J. Tiani, J. E. Pemberton 91. Investigation of near-IR fluorescent dyes for use as cell stains in cytotoxicity studies. R. J. Williams, L. Taylor, D. Hill 92. Kinetic and optimal moisture studies of methanotroph-enriched whole soil samples overlying coal bed methane seeps. C. D. Adams, K. W. Mandernack, C. H. Mills, R. E. Milofsky 93. Low-cost oxygen sensing using unfiltered fluorescence. Y. V. Kostov, P. Harms, G. Rao 94. Mass spectrometric characterization of epoxyisoprostane phospholipids that activate endothelial cells to produce interleukin-8. G. Subbanagounder, J. W. Wong, H. Lee, K. F. Faull, A. M. Fogelman, J. A. Berliner 95. Medium-throughput p/Ca screening of pharmaceuticals by pressure-assisted capillary electrophoresis. Z. Jia, T. Ramstad, M. Zhong 96. Mesoporous silica-based fluorescence sensors. V. S-Y. Lin, J. Huang, C-Y. Lai 97. Mobile-phase volume and velocity in pcSFC-MS: High-throughput analytical method for combinatorial libraries. B. G. Kinney, G. E. Barker, J. Krakover 98. Molecular motions of long DNA confined in small space. M. Ueda, N. Kaji, Y. Baba 99. Monitoring oxidation in vegetable oils by near-IR spectroscopy. R. L. Wehling, G. Yildiz, S. L. Cuppett 100. Multiplexed immobilization of biomolecules onto a gold band electrode array. C. B. Davis, W. G. Kuhr 101. Nanoliter-range electrochemical platform suitable for the production of smallvolume sensors. J. C. Ball, J. K. Lumpp, S. Daunert, L. G. Bâchas 102. NMR of cadmium-bound phytochelatins. D. L. Rabenstein, S. M. Spain 103. NMR studies for the quality control of herbal extracts. M. Kamil, A. F. Jayaraj, F. Ahmed, C. J. Gunasekar, S. T. Stephen, M. O. E. Sheikh, A. Shehi 104. Novel way of determining peak purity by HPLC-HPLC. C. Y. Ko, A. P. Micheel 105. Observation of size-specific quenching characteristics of encapsulated molecules. N. Diggs, M. O. Iwunze 106. On-column ligand synthesis coupled to partial-filling affinity capillary electrophoresis. Y. Zhang, C. Kodama, C. Zurita, F. Gomez 107. PAMAM-dye/sol-gel composites as chemical sensor materials. S. S. Saavedra, M. D. Senarath-Yapa 108. Photoionization interface for LC/MS. K. A. Hanold, M. D. Evans, S. M. Fischer, P. H. Cormia, J. A. Syage 109. Photoionization mass spectrometry for high-throughput pharmaceutical analysis. J. A. Syage, M. D. Evans, K. A. Hanold 110. Photomodified antibody detection of glutamine synthetase. M. Nakka, B. Haley 111. Photophysical investigation of polyamines containing naphthyl derivatives. S. Pandey, K. A. Fletcher, A. E. Hendricks, M. W. Fennie, M. C. O'Sullivan 112. Porous silicon vapor sensor based on laser interferometry. J. Gao, T. Gao, M. J. Sailor 113. Porous silicon vapor sensor with enhanced selectivity by surface modification. T. Gao, J. Gao, M. Sailor HTTP://PUBS.ACS.ORG/CEN

114. Potential dependent orientation of sol vent molecules on platinum (111) elec trode surface studied by sum frequency generation. S. Baldelli, G. A. Somorjai, P. N. Ross, Y-R. Shen 115. Probing the redox properties of medium-chain acyl-CoA dehydrogenase with dienoyl-CoA ligands. A. W. Ste phens, L. Luo, M. T. Stankovich, A. F. Bell, P. J. Tonge 116. Qualitative and quantitative analyses of Cordyceps sinensis by using reversedphase high-performance liquid chromatog raphy. K. W. Ma, F. T. Chau 117. Quantification of the PAH metabolites as a biomarker for PAH exposure. C. Smith, W. Huang, C. Walcott, V. Maggio, J. Grainger, D. Patterson 118. Quantification of volatile organic com pounds in soil-vapor extractor headspace by solid-phase microextraction and gas chromatography/mass spectrometry. K. A. Hamersky, D. S. Aga 119. Quantitative analysis of synthetic galac tosyl ceramide analogs binding to HIV-1 gp120 using total internal fluorescence mi croscopy. Y. Gu, R. Y. LaBell, D. F. O'Brien, J. Gervay-Hague, S. S. Saavedra 120. Quantitative detection of prostacyclin through a sensitive, bioluminescent immu noassay. U. A. Desai, S. K. Deo, M. D. Poon, S. Daunert 121. Rapid open access channel electrophoresis/MALDI-FTMS of peptides and oli gosaccharides. J. Liu, M. Stone, B. Gar cia, K. Tseng, C. Lebrilla 122. Rational design of a fusion protein for the detection of calcium and calmodulin antagonists. E. Dikici, S. Deo, S. Daunert 123. Recovery and degradation of complexed cyanide. S. Shukla, A. Shukla, J. L. Margrave, J. Parga, J. Miller 124. Reporter gene technology in the design of a biosensing system for arsenite. J . Feliciano, Y. Liu, S. Daunert 125. Sensitive sub-Doppler nonlinear spec troscopic method for simplified isotoperatio measurement. H. R. Kemp, R. D. Briggs, J. A. Schafer, W. G. Tong 126. Separation of propoxyphene enantiomers using capillary electrophoresis. T. C. Werner, T. Magoon, K. Ota 127. Separation of taxanes by reversedphase liquid chromatography on fluorinated and hydrocarbonaceous stationary phases. R. Dolfinger, D. C. Locke 128. Spatial resolution increase of quasidistributed fluorescent sensor arrays on optical fibers. B. J . Prince, A. W. Schwabacher, P. Geissinger 129. Strategies for the screening and detec tion of triazine herbicide content in envi ronmental samples using antibody cou pled capillary electrophoresis. C. D. Craw ley, M. K. Little, L. Clay 130. Structural anomalies that affect the binding and activity of polymerases. H. F. Thomson, S. Winkle 131. Structure-function relationships of octadecylsilane stationary phases by Raman spectroscopy. C. J. Orendorff, M. W. Ducey Jr., J. E. Pemberton 132. Studies on electrochemical reactions of metallothionein adsorbates at mercury film electrodes. F. Song, A. L. Briseno, F. Zhou 133. Study of β-lactamase inhibitors using an EGFP fusion protein. L G. Puckett, J. C. Lewis, S. Daunert, L. G. Bâchas

A Catalysis •


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M Materials

134. Study of structure-function relationships for novel monoclonal antibodies using capillary electrophoresis. C. D. Crawley, M. K. Little 135. Sum frequency generation spectroscopic study of surface species. P. Chen, Κ. Υ. Kung, Y. R. Shen, G. A. Somorjai 136. Surface coordination of a triruthenium cluster on platinum nanoparticles for meth anol oxidation catalysts. R. Diaz Ayala, E. R. Fachini, C. R. Cabrera, E. Casado Rivera, S. Files-Emperador 137. Surface plasmon resonance spectros copy and metal film resistance changes during Pb underpotential deposition at Au and Ag. R. Terrill, M. Zangeneh, E. Sambriski 138. Surface second-harmonic generation study of layer order in self-assembled mul tilayers. S. B. Bakiamoh, G. J. Blanchard 139. Surface-enhanced Raman spectroscopy-based spectroelectrochemistry as an in situ vibrational probe of SERS-active sites on Ag surfaces. V. B. Oklejas, J. M. Harris 140. Tip-enhanced Raman spectroscopy as a new analytical tool for nanomaterials. Y-D. Suh, R. M. Stoeckle, V. Decked, R. Zenobi 141. Toxicity in nails: A study of Cd, Cr, Pb, and Ni in fingernails by AAS. S. Kazi, G. H. Kazi, T. G. Kazi 142. Trace metal assessment in the Tatnuck Brook Watershed, Worcester, Mass. A. M. Falke, S. Kaplan, N. Arpin, V. V. Dune, K. Ostlund 143. Ultrathin sol-gel composite silicaferrocene films fabricated on metal sub strates. J. W. Robertson, J. W. Anthis, J. E. Pemberton 144. Use of 1-alkyl-3-methylimidazoliumbased ionic liquids for the electrophoretic separation of polyphenols found in grape seed extracts. E. G. Yanes, S. R. Gratz, A. M. Stalcup 145. Use of only pulsed argon in the quadru p l e ion trap mass spectrometer to im prove trapping and MS/MS efficiency. A. S. Danell, G. L. Glish 146. Using GC/MS to explore the role of oxi dants in the pathophysiology of disease. J. P. Gaut, G. C. Yeh, J. Byun, H. D. Tran, J. W. Heinecke 147. Using receptor conformational change to detect low-molecular-weight analytes by surface plasmon resonance. J. E. Gestwicki, H. V. Hsieh, J. B. Pitner 148. Whole-cell-based sensing systems for metal ions. R. S. Shetty, S. Ramanathan, Y. Liu, J. Wolford, P. Shah, S. Daunert

MONDAY MORNING Hyatt Regency Regency Β ACS Award in Analytical Chemistry Honoring Klaus Biemann

P. Vouros, Organizer, Presiding 8:30—149. Adventures in the mass spec trometry of RNA. J. McCloskey 9:00—150. Integration of mass spectrometric and bioinformatics tools for studies of pro tein machines. A. L. Burlingame 9:30—151. Automated identification of pep tides and proteins at the attomole level in complex mixtures by mass spectrometry. D. F. Hunt 10:00—Intermission. 10:20—152. Low-resolution protein struc tures by mass spectrometry. B. W. Gib son, M. Young, B. Schilling, N. Tang, C. Collins, R. K. Guy, A. D. Leavitt, G. Dollinger, I. D. Kuntz 10:50—153. Emerging roles of mass spec trometry in protein analysis. S. A. Carr 11:20—Introductory Remarks. 11:30—154. Award Address (ACS Award in Analytical Chemistry, sponsored by Fisher Scientific Co.). Four decades of structure determination by MS: From alkaloids to heparin. K. Biemann

MONDAY AFTERNOON Hyatt Regency Regency Β ACS Award in Analytical Chemistry Honoring Professor Klaus Biemann

D. M. Desiderio, Presiding 1:30—155. Novel tools for the field of proteomics. S. A. Martin, M. Vestal, P. Juhasz, B. Williamson, J. Marchese, A. Graber, D. Patterson 2:00—156. Evolution of modern mass spec tral approaches to carbohydrate and glycoconjugate analysis. C. E. Costello, J. Zaia 2:30—157. Analysis of in vivo formed DNA adducts by microcapillary LC-MS/MS. P. Vouros, R. J. Turesky, J. R. Soglia, E. T. Gangl 3:00—Intermission. 3:20—158. Molecular-isotopic studies of geomicrobial processes. J. M. Hayes 3:50—159. Biosynthesis of 5-oxo-ETE and formation of a novel biologically active me tabolite, FOG7. R. C. Murphy, R. C. Bow ers, J. Hevko, S. Zarini 4:20—160. Environmental chemistry and electron capture mass spectrometry. R. A. Hites 4:50—161. Use of mass spectrometry to study human proteomes. D. M. Desiderio Teaching Analytical Chemistry in the New Century cosponsored with Division of Chemical Education (see page 91)

TUESDAY MORNING Section A Hyatt Regency Regency Β Probing Intrinsic Reactivity Features by Mass Spectrometry

G. Cooks, Organizer, Presiding 8:30—Introductory Remarks. 8:40—162. Reactivity of platinum: Methane activation and c/s-platin. P. B. Armentrout 9:10—163. Enzyme chemistry in the gas phase: Highly selective reactions of biomolecules. J. L. Beauchamp 9:40—164. Structures and energetics of biopolymers in the gas phase. M. T. Bowers 10:10—Intermission. 10:30—165. Dipole supported states of neg ative ions: Rotations and lifetimes. J. M. Karty, D. A. Walthall, J. I. Brauman 11:00—166. Role of water on the structure of cationized amino acids. E. R. Williams 11:30—167. Studies of the intrinsic reactivi ties of macro ions via quadrupole ion trap mass spectrometry. S. A. McLuckey, J. M. Wells, G. E. Reid, P. A. Chrisman, B. J. Engel, K. A. Newton, P. Pan, J. Wu, D. E. Goeringer, K. G. Asano, J. L. Stephenson Jr., D. E. Butcher

Section Β Hyatt Regency Cunningham A-B Near-Field Spectroscopy: A Tool for Nanoanalysis

S. J. Stranick, Organizer, Presiding 8:35—Introductory Remarks. 8:40—168. Near-field Raman and IR absorp tion spectroscopy for molecular imaging. Y. Inouye, N. Hayazawa, Z. Sekkat, S. Kawata 9:10—169. Single molecules in the near field. N. F. van Hulst, M. F. Garcia-Parajo, J-A. Veerman, H. Gersen 9:40—170. Near-field IR microscopy of nanostructured surfaces. G. C. Walker 10:10—Intermission. 10:30—171. Scanning near-field Raman mi croscopy with and without apertures. D. N. Batchelder, D. A. Smith, F. Demangeot, J. J. Wang, F. C. Thorley

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Presidential Series



11:00—172. Electric field gradient effects in NSOM-Raman spectroscopy. E. J. Ayars, H. D. Hallen, M. A. Paesler 11:30—173. Chemical imaging with scanning near-field IR microscopy and spectrosco py. S. J. Stranick, B. Chase, C. A. Michaels Teaching Analytical Chemistry in the New Century cosponsored with Division of Chemical Education (see page 95)

TUESDAY AFTERNOON Section A Hyatt Regency Regency Β Probing Intrinsic Reactivity Features by Mass Spectrometry Symposium Honoring Helmut Schwarz

G. Cooks, Organizer 1:30—174. Award Address (Frank H. Field & Joe L. Franklin Award for Outstanding Achievement in Mass Spectrometry, spon sored by Bruker Daltronics Inc.). Unbottleable molecules as generated and probed by electron-transfer mass spectrometry. H. Schwarz 2:00—175. Combining electrospray ioniza tion with a fast flow technique in the study of the reactivity of protonated biomolecules. C. Lifshitz 2:30—176. Probing intrinsic kinetics of reac tions with bare metal, ligated metal, and biometallic ions using ICP/SIFT mass spectrometry. D. K. Bohme 3:00—Intermission. 3:20—177. Chemistry of gas-phase inclusion complexes. C. B. Lebrilla, S. Ahn, G. Grigorean 3:50—178. Metal ion-coordinated radicals: A new class of distonic radical cations. C. Wesdemiotis, J. Wu, J. M. Talley, M. J. Polce 4:20—179. Tools for probing intrinsic reactiv ity features: Entropy determinations by the kinetic method. R. G. Cooks, J. Denault, T. Islam

Section Β Hyatt Regency Cunningham A-B Nanoelectrochemistry D. Feldheim, Organizer,

Presiding

1:30—Introductory Remarks. 1:35—180. Chemically doping single mole cules to achieve high conductivity. C. P. Kubiak, B. S. T. Kasibhatla 2:05—181. Size-selective electrochemical growth of metal and semiconductor nanowires. R. M. Penner 2:35—182. Construction of a platform for molecular electronics. C. Gorman 3:05—Intermission. 3:25—183. Electroactive SAMs and multilay ers: Nonlinear behaviors in potential mo lecular electronics systems. R. L Carroll, C. Gorman 3:55—184. Electrochemistry in nanostruc tured inorganic materials. M. E. Williams, J. T. Hupp 4:25—185. Nanobarcodes: Electrochemical synthesis of nanoparticulate tags. M. J. Natan

WEDNESDAY MORNING Section A Hyatt Regency Manchester Ε ACS Award in Chromatography

G. Guiochon, Organizer, Presiding 8:30—Introductory Remarks. 8:40—186. Award Address (ACS Award in Chromatography, sponsored by Supelco Inc.). State of the art in hyphenation of capillary separations method with MS and NMR. E. Bayer 9:10—187. DNA analysis by capillary elec trophoresis. B. L. Karger 9:40—188. Can capillary electrophoretic techniques compete with HPLC with re spect to repeatability and reproducibility? H. Engelhardt, T. Faller 10:10—Intermission.

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10:30—189. Radiocarbon analysis by gas chromatographyandacceleratormassspectrometry of environmental trace chemicals. H. Frank 11:00—190. Electro-osmotic vs. pressuredriven flows in fixed beds: From interstitial flow heterogeneity to intraparticle and film mass transfer. U. Tallarek 11:30—191. From LC-NMR to LC-NMR/MS under full automation. M. Spraul, U. Braumann, M. Hofmann, M. Godejohann

Section Β Hyatt Regency Cunningham A-B High-Throughput Mass Spectrometry in Drug Discovery

S. A. Hofstadler, Organizer, Presiding 8:35—Introductory Remarks. 8:40—192. Use of affinity selection mass spectrometry to screen organic com pounds of diverse structures for drug leads. H. Yang, X. Cheng, A. Bakhoum, P. Hajduk, I. Lico, M. Voorbach, P. Dandliker, M. Schurdak, L. Gao, A. Buko, L. Miesbauer, R. Schmitt, Y. Martin, B. Beutel, D. Burns 9:10—193. Detection of oligonucleotide: Ligand complexes using electrospray ioniza tion mass spectrometry as a component of high-throughput screening. J. Robinson, M. Greig 9:40—194. Enzyme characterization with mass spectrometry and high-throughput screening. J. E. Bruce, X. Tang, C. Belke, Q. Huang, Y. Li, E. Chen, S. Gardell, S. F. Brady, V. M. Garsky, M. Sardana, J. A. Shafer 10:10—Intermission. 10:30—195. IEMS assay of sulfotransferase enzymes: High-throughput screening of potential enzyme inhibitors using mass spectrometry. J. A. Leary, X. Ge, D. Verdugo, C. Bertozzi, T. Sirich 11:00—196. Rapid identification and quanti tation of drug metabolites using stable iso topes, accurate mass, and an enhanced chemiluminescent nitrogen detector. G. Dollinger, E. Taylor, W. Jia, J. Chesko, B. Hell 11:30—197. High-performance ESI/FTICR mass spectrometry as a high-throughput screen to identify RNA-binding ligands. S. A. Hofstadler, J. Drader, K. A. SannesLowery, E. E. Swayze, R. H. Griffey

WEDNESDAY AFTERNOON Section A Hyatt Regency Manchester Ε

LC/MS of Biomolecules

THURSDAY MORNING Hyatt Regency Manchester Ε Recent Advances in Microfluidics

I. Fritsch, D. Cunningham, Organizers I. Fritsch, Presiding 8:30—208. Automated collection of microvol umes of whole blood for glucose monitor ing and other diagnostic product fluidics systems. D. D. Cunningham, T. P. Henning, E. B. Shain, D. F. Young 9:00—209. Microfluidic devices with in creased sample-handling capabilities. E. Verpoorte, L. Ceriotti, A. Daridon, A. Dodge, G-L. Lettieri, J. Lichtenberg, V. Under, B. Weiller, N. F. de Rooij 9:30—210. Advances in computer-aided de sign of microfluidics for applications in bio technology. J. Harley 10:00—Intermission. 10:20—211. High-throughput screening in microchips. A. W. Chow, S. Biondi, Y. Yurkovetski, M. Spaid, A. Zhou, A. R. Kopf-Sill, J. W. Parce 10:50—212. Chemical control of electroosmotic flow in polymer microfluidic devic es. C. S. Henry, Y. Liu, J. M. Bledsoe, C. D. Hopkins 11:20—213. Patterning flow at the microscale via configurable thermofluidic ar rays. S. M. Troian, A. A. Darhuber, J. M. Davis, W. W. Reisner, S. Wagner

Hyatt Regency Manchester Ε

Presiding

1:30—Introductory Remarks. 1:35—198. Reproducibility of HPLC col umns: Packed vs. monolithic columns. G. Guiochon, M. Kele 2:05—199. About the total performance of monolithic HPLC columns. K. Cabrera, H. Minakuchi, D. Lubda, K. Nakanishi 2:35—200. Preparative chromatography with chiral stationary phases. E. Kuesters 3:05—Intermission. 3:25—201. Capillary electrochromatography: Mass spectrometry of antisense oligonu cleotides. H. J. Gaus, L. L. Cummins 3:55—202. Capillary electrophoretic separa tions in genomics and proteomics: From capillaries to chips. A. Paulus 4:25—203. LC/MS: New methods on both sides of the hyphen. B. Behnke, R. Doetzer, W. Dreher

SUNDAY MORNING

BIOT

D. Jones, Organizer, Presiding 1:30—Introductory Remarks. 1:35—204. Characterization of intact pro teins and protein digests by LC/MS and LC/MS/MS. R-R. Zhu, L. Santora, D. Ouellette, T. J. Sun, K. Grant 2:20—205. In good taste: LC/MS analysis of cocoa biopolymers. A. E. Mitchell, J. F. Hammerstone, S. A. Lazarus, R. B. Rucker, R. S. Mercer, H. S. Schmitz 3:05—Intermission. 3:25—206. Separation methods for LC/MS analysis of phytoplankton biomolecules. A. D. Jones, J. L. Hironaka 4:10—207. Use of NARP HPLC and capaci tive electrospray for the LC/MS analysis of lipid A and other hydrophobic biomole cules. M. Hackett, E. C. Yi, S. Park, K. Nugent, H. Wang

THURSDAY AFTERNOON

ACS Award in Chromatography K. P. Hupe,

Section Β Hyatt Regency Cunningham A-B

Recent Advances in Microfluidics

D. Cunningham, Presiding 1:30—214. Bioanalytical applications of mi crochip capillary electrophoresis with elec trochemical detection. S. M. Lunte, R. S. Martin, A. Gawron, N. Lâcher, B. Fogarty, F. Reagan 2:00—215. Microfluidics in Triage lab chips: A new dimension to immunoassays. K. F. Buechler, P. H. McPherson, S. Lesefko, K. Nakamura 2:30—216. Exploring a new approach to microfluidics. I. Fritsch, C. S. Carter, Z. P. Aguilar 3:00—Intermission. 3:20—217. Biochemical experimentation on microfabricated devices. J. M. Ramsey, S. C. Jacobson, C. T. Culbertson, R. S. Ramsey, M. McClain, R. S. Foote 3:50—218. LabCD: A platform for automated life sciences research. B. L. Carvalho, T. E. Arnold, D. C. Duffy, G. J. Kellogg, N. F. Sheppard Jr. 4:20—219. 2-D array assembly using light and interfacial patterning. M. Seul, S. Banerjee, K. Podual, A. X. Li, C. Chau

Recent Advances in Expression Systems

F. Baneyx, B. Zamost, Organizers

DIVISION OF BIOCHEMICAL TECHNOLOGY J. M. Piret, K. B. Konstantinov, Program Chairs

OTHER SYMPOSIA OF INTEREST: ACS Award in Separation Science and Technology Symposium Honoring Csaba Horvath (see Division of Industrial & Engineering Chemistry, Wed, Thu, page 125) Membranes: Surface and Performance (see Division of Colloid & Surface Chemistry, Wed, Thu, page 105) Optimization of Separations Using Combinatorial Technology (see Division of Industrial & Engineering Chemistry, Tue, page 124) Biotech/Bioinorganic Interface (see Biotechnology Secretariat, Mon, page 69) LC/MS of Biomolecules (see Division of Analytical Chemistry, Wed, page 78) Glycobiology (see Division of Carbohydrate Chemistry, Sun, page 82) Contributed Papers: Biochemistry and Biotechnology of Carbohydrates (see Division of Carbohydrate Chemistry, Thu, page 84) Industrial Applications of Plant Polysaccharides (see Cellulose, Paper & Textile Division, Thu, page 86) Bioanalytical Techniques for Environmental Monitoring: Immunochemistry Summit IX (see Division of Agrochemicals, Tue, Wed, page 74) Nucleic Acid-Based Therapeutics and Related Technologies (see Division of Carbohydrate Chemistry, Sun, page 82) Accelerating Drug Discovery: New Advances in Structure-Based Drug Design Technologies (see Division of Medicinal Chemistry, Wed, page 140) Advances in Controlled Drug Delivery (see Division of Polymeric Materials: Science & Engineering, Thu, page 174) Biotechnology and Pharmaceutical Patents (see Biotechnology Secretariat, Mon, page 69) Patent Issues in the Bioinformatics Age (see Biotechnology Secretariat, Thu, page 70) SOCIAL EVENTS: Reception, Sun Social Hour, Wed BUSINESS MEETING: Wed

C&EN/

M A R C H 5,

2001

8:30—Introductory Remarks. 8:35—1. Engineering carrier proteins for yeast secretion. K. D. Wittrup, J. A. Burbank 9:00—2. Gratuitous induction for enhanced protein production in the yeast Kluyveromyces lactis. W. Panuwatsuk, H. B. Hsieh, N. A. Da Silva 9:25—3. Secretion of GFP and GFP-fusion proteins in Saccharomyces cerevisiae. J. Li, W. E. Bentley, G. Rao 9:50—4. Expression of recombinant proteins in stably transformed insect cells using the Insect Select system. J. G. Verburg, K. Kulowski 10:15—Intermission. 10:30—5. Secreted expression of recombinant protein antigens using Escherichia co//expression system. I. Johnson, R. McCarrick, A. Lim, V. Bhatnagar, J. Seals, S. Jain 10:55—6. Effects of gene copy number and steady-state mRNA levels on the relative expression levels of two genes in a novel operon. C. D. Smolke, J. D. Keasling 11:20—7. Synthesis of mammalian proteins with an E. coli cell-free system. J. R. Swartz, D. M. Kim, N. Michel-Reydellet, J. Zawada, M. Jewett, J. Schulte 11:45—8. Corrosion reduction of mild steel 1010 and aluminum 2024 by polyphosphate-secreting Escherichia coli. T. K. Wood, D. Ornek, C-H. Hsu, F. B. Mansfeld 12:10—Concluding Remarks.

Section Β Convention Center Room 1A Challenges in Formulating Protein Therapeutics

M. E. M. Cromwell, M. Speed, Organizers 8:30—Introductory Remarks. 8:35—9. Nonnative states of proteins: Their aggregation and interaction with lipid bilayers. C. R. Middaugh 9:15—10. Low-frequency dynamics and its effects on the preservation of biomaterials. A. M. Tsai, C. L. Soles, R. M. Dimeo, D. A. Neumann, R. L. Cappelletti 9:35—11. Comparison of crystalline and amorphous proteins: Stability studies. B. C. Shenoy, W. Shan, A. L. Margolin 9:55—12. Effects of polyethylene glycol and PEGylation on protein structure, formula tion, and delivery. B. A. Kerwin, C. Gegg, T. Li, B. S. Chang 10:15—Intermission. 10:35—13. Advances in the intradermal pow der administration of proteins via hydrogel microsphere formulation. K. J. Brodbeck, B. H. O'Connor, S. J. Prestrelski 10:55—14. Use of polymer/sugar mixtures to optimize storage stability of freeze-dried recombinant human interleukin-11. W. Garzon-Rodriguez, S. Chongpraset, R. Koval, S. Krishnan, T. W. Randolph, N. Warne, J. F. Carpenter 11:15—15. EDTA prevents N-terminal prote olysis in a prefilled syringe formulation of Leukine (rhuGM-CSF). D. K. Pettit, C. M. Jochheim, N. S. Nightlinger, F. L. Wil liams, K. J. Leach, W. R. Gombotz 11:35—16. Near-IR: A noninvasive method to determine residual moisture of lyophilized protein pharmaceuticals. T. Moy, A. Calabria, C. Hsu 11:55—Concluding Remarks. Molecular Biology Tools in Environmental Engineering cosponsored with Biotechnology Secretariat (see page 69)


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Inter- and Intramolecular Forces in Biological Systems cosponsored with Division of Colloid & Surface Chemistry (see page 101)


SUNDAY AFTERNOON Section A Convention Center Room 8 Plant Biotechnology for Production of Protein Products

K. McDonald, Z. Nikolov, Organizers 1:30—17. Plant virus cowpea mosaic virus as a vaccine carrier of heterologous anti gens. L. Rasochova 1:50—18. Production and characterization of antiherpes plantibodies from transgenic rice. K. Briggs, L. Zeitlin, W. Fei, L. Chen, S. Zhang 2:10—19. Production of human somatotropin from corn seed. M. R. Schlittler, D. W. Taylor, D. A. Russell, J. M. Staub, J. A. Baez 2:30—20. Recombinant production of pro teins in oilseed plants. R. G. Keon 2:50—Intermission. 3:10—21. Choosing strategies for economi cal production of proteins from transgenic crops. Z. Nikolov 3:30—22. Factors affecting antibody accu mulation and stability in plant cell and or gan cultures. J. M. Sharp, P. M. Doran 3:50—23. Enhanced production and immunolocalization of a single-chain Fv frag ment in cultured plant cells. F. UlloaMontoya, H. Xu, Z. Wang, E. A. James, N. S. Magnuson, J. M. Lee 4:10—24. A cyclical semicontinuous process for heterologous protein production using metabolically regulated plant cell suspen sion cultures. M. M. Trexler, K. A. Mc Donald, A. P. Jackman

Section Β Convention Center Room 8 David Perlman Memorial Lecture

J. V. Shanks, Presiding 5:00—25. Molecular breeding of genes, pathways, and genomes by DNA shuffling. W. P. C. Stemmer

3:40—30. Role of L-arginine and guanidinium chloride as inhibitors of aggregation in in vitro protein folding. L. Waldmann, R. Ru dolph, E. De Bemardez Clark 4:00—31. Use of size-exclusion chromatog raphy for refolding recombinant proteins from inclusion bodies. J. B. Chaudhuri, E. Fahey Molecular Biology Tools in Environmental Engineering cosponsored with Biotechnology Secretariat (see page 69) Inter- and Intramolecular Forces in Biological Systems cosponsored with Division of Colloid & Surface Chemistry (see page 101)

In Vitro and in Vivo Protein Folding and Aggregation

Section A Convention Center Room 14A Validation of Biopharmaceutical Manufacturing Processes

B. Kelley, R. A. Ramelmeier, Organizers 8:40—32. Cell culture process characteriza tion leads to a manufacturing control strat egy for glycosylation. R. L. deVries, T. B. Vickroy, P. McAllister 9:00—33. Process validation of an affinity chromatography step based on a polypep tide ligand. B. D. Kelley, J. Booth, M. Tannatt, S. Hagelberg, R. Magnusson 9:20—34. Characterization of filter extractables using proton NMR spectroscopy. Y-H. Kao, J. Bender, M. Vanderlaan 9:40—Intermission. 10:00—35. Cleaning validation in Merck's multiproduct biologies pilot plant. V. H. Valmiki, F. Leu, A. Ramelmeier, W. L. Stobart, D. B. Seifert 10:20—36. Generic host cell protein impurity assays provide superior means of monitor ing manufacturing consistency. M. Van derlaan, S. W. Frie, K. Champion 10:40—37. Incorporation of characterization studies with chromatography reuse valida tion. T. N. Breece, C. Schmelzer

Section Β Convention Center Room 14A 2001 Industrial Biotechnology Award Presentation and Lecture

M. R. Riley, A. M. Tsai, Organizers

J. V. Shanks, Presiding 11:30—38. Frequent, automatic, and nonin vasive glucose monitoring using the GlucoWatch biographer. R. O. Potts

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Bioprocess Monitoring and Control

C. F. Komives, J. R. Bosley Jr., Organizers

2:00—26. Influence of the hydrophilic face on the folding activity and stability of α-helix bundles: Relevance to the peptide catalytic activity. S. E. Blondelle 2:20—27. Kinetics and thermodynamics of formation and dissociation of Apo2L/ TRAIL aggregates. H. L. Flores, L. Khan, Z. Shahrokh 2:40—28. Molecular basis of interferon-γ ag gregation. E. J. Fernandez, S. A. Tobler, M. Cromwell 3:00—Intermission. 3:20—29. Diffusion-based method to mea sure size of aggregated species associat ed with toxicity of β-amyloid peptide. S. S-S. Wang, T. Good

A Catalysis

Section D Convention Center Room 16B

MONDAY MORNING

Section C Convention Center Room 17A

10:15—45. Results from an efficacy study of Nabi StaphVAX (Staphylococcus aureus capsular polysaccharide conjugate vac cine) in hemodialysis patients. A. Fattom, G. Horwith, S. Fuller, S. Black, H. Shinefield, R. Naso 10:35—46. Use of attenuated Shigella vac cine strains to deliver heterologous anti gens and DNA vaccines. E. M. Barry, Z. Altboum, R. Anderson, M. Pasetti, M. M. Levine 10:55—47. Use of physical and chemical methods for characterization of multivalent pneumococcal conjugate vaccines. C. E. Frasch, C-H. Lee

Section C Convention Center Room 16A Advances in Vaccine Development

W. W. Q. Sun, P. C. Fusco, Organizers 8:00—39. Advances in conjugate vaccines: Development of Vi-rEPA for typhoid fever. S. C. Szu, Z. Kossaczka, K. Lin, R. Schneerson, J. B. Robbins 8:20—40. Functional pilus-specific vaccineinduced antibodies for urinary tract infec tions. L Jian, P. C. Fusco 8:40—41. Biochemical analysis of proteinpolysaccharide conjugate vaccines. D. H. Lamb, Q. P. Lei 9:00—42. Development of a novel vero-cellderived influenza vaccine. O. Kistner, N. Barrett, W. Mundt, M. Reiter, S. SchoberBendixen, G. Eder, F. Dorner 9:20—43. Glycoconjugate vaccine technolo gy has proven success in providing pro tection in individuals nonresponsive to polysaccharide antigens. D. V. Madore, R. Eby 9:40—Intermission. 9:55—44. Novel meningococcal semisyn thetic polysaccharide-protein conjugate vaccines. F. Miction, M. S. Blake, P. C. Fusco

8:00—Introductory Remarks. 8:05—48. Bioprocess monitoring and control using the combination of fluorescence, mid-IR, and Raman spectroscopy. M. Rhiel, C. Cannizzaro, S. Valentinotti, I. Marison, U. von Stockar 8:27—49. Online control and optimization of perfusion CHO cell cultures based on a vi able cell probe. J. E. Dowd, A. Jubb, K. E. Kwok, J. M. Piret 8:49—50. Differential rates of gene expres sion monitored by green fluorescent pro tein. C. Lu, C. R. Albano, W. E. Bentley, G. Rao 9:11—51. Near-IR monitoring of whole-cell biocatalytic processes. P. A. Bird, D. C. A. Sharp, J. M. Woodley 9:33—Intermission. 9:45—52. Monitoring and modeling of batch fermentation processes using decision tree analysis, PCA, and PLS. H. Lam, K. Malik 10:07—53. Integrated systems approach for the optimization of microbial recombinant fermentation processes. K. Bayer 10:29—54. Data-driven modeling and control of continuous-flow bioreactor. R. S. Park er 10:51—55. Evolutionary operation of chro matographic processes. D. Nagrath, S. Cramer, B. W. Bequette Molecular Biology Tools in Environmental Engineering cosponsored with Biotechnology Secretariat (see page 69) Inter- and Intramolecular Forces in Biological Systems cosponsored with Division of Colloid & Surface Chemistry (see page 102)

MONDAY AFTERNOON Section A Convention Center Room 16A Advances and Challenges in Fermentation Process Development Process Development and Optimization

N. S. Wang, S-D. Wang, Organizers 2:00—56. Induction and overexpression of foreign protein in Escherichia coli. F. Razali, J. M. Scharer, M. Moo-Young, B. R. Glick 2:25—57. Metabolic oscillations in an E. coli fermentation. D. C. Andersen, J. R. Swartz, T. Ryll, N. Lin, B. Snedecor 2:50—58. Closed-loop control of a fed-batch E. coli fermentation using online mid-IR spectroscopy. D. L. Doak, J. A. Phillips 3:15—Intermission. 3:35—59. Use of historical fermentation pro cess information for optimization of recom binant protein production in E. coli. K. K. Buck, D. E. Block

4:00—60. Optimization of eicosapentaenoic acid production by the diatom Nitzschia laevis using statistical experimental de signs. Z. Y. Wen, F. Chen 4:25—61. Development of a cost-effective epothilone D process in Myxococcus xanthus. R. Regentin, S. Frykman, J. Lau, S. Ou, H. Tsuruta, P. Licari Section Β Convention Center Room 1A Industrial Case Studies in Bioprocess Integration J. L. Coffman, A. Ramelmeier, Organizers 1:45—62. Unintended interactions between fermentation and downstream chromatog raphy steps in the purification of viruslike particles. S. Gadam, R. Henrickson, S. Decker 2:10—63. Process economic modeling used as a process development decision making tool. J. Beck, D. Lewis-Sandy 2:35—64. Role of process simulation in ana lyzing and evaluating bioprocess integra tion opportunities. D. Petrides, P. Lagonikos 3:00—65. Antifoam: Friend or foe? A study of bioprocess integration in industrial en zyme manufacturing. L. M. Steele 3:25—Intermission. 3:45—66. Downstream processing of bovine lactoferrin from sweet whey. R. Ulber, T. Scheper, K. Plate, H. Buchholz 4:10—67. Strategic process development of expanded bed adsorption. J. Feuser, J. Thoemmes, J. Walter 4:35—68. Direct process integration of cell disruption and fluidized bed adsorption in the recovery of labile microbial enzymes. A. Lyddiatt 5:00—69. Primary recovery of a secreted re combinant human chymotrypsinogen Β from Pichia pastoris culture broth: EBA vs. aqueous two-phase extraction. M-R. Kula, M. Halfar, J. Thommes

Section C Convention Center Room 16B Bio-Based Products from Renewable Resources

S-P. Tsai, P. Wang, Organizers 2:00—70. Combinatorial approach to biopolymer coupling and cross-linking. G. F. Payne, T. Chen, R. Vazquez-Duhalt, W. E. Bentley, P. J. Smith 2:20—71. Combinatorial array-based biocat alytic polymer synthesis for the discovery of new materials. D-Y. Kim, J. S. Dordick 2:40—72. Economics of a biorefinery for coproduction of succinic acid, ethanol, and electricity. C. E. Wyman 3:00—73. Engineering of microbial biopolymer analogs. W. Blank, T. Harrah, H. Sun, A. Johri, D. Kaplan 3:20—Intermission. 3:40—74. Extractive fermentation for lactic acid production from corn starch by immo bilized cells of Rhizopus oryzae. A. Tay, S-T. Yang 4:00—75. Funding opportunities for biobased products research at USDA. J. L. Conrad 4:20—76. Metabolic engineering of E. coli for the production of succinic acid. G. N. Vemuri, M. A. Eiteman, E. Altman 4:40—77. Pathway analysis of Saccharomyces cerevisiae producing polyhydroxybutyrate for strain improvement. R. P. Carl son, F. Srienc 5:00—78. Production of succinic acid from lignocellulosic materials. N. P. Nghiem, M. I. Donnelly, Β. Η. Davison Inter- and Intramolecular Forces in Biological Systems cosponsored with Division of Colloid & Surface Chemistry (see page 102) Pharma Informatics: Integration of Bioinformatics and Cheminformatics cosponsored with Biotechnology Secretariat (see page 69)


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MONDAY EVENING

10:30—93. Performance of continuous mag netic cell separation is a function of cellu lar antibody binding capacity. K. McCloskey, J. Chalmers, L. Moore, M. Zborowski

Convention Center Sails Pavilion Sci-Mix

D. E. Block, V. Goetz, Organizers 8:00-10:00 169, 161-164, 188, 200, 162, 163, 170, 228, 184, 225, 172, 219, 220, 206, 226, 197, 223, 229, 182, 176, 186. See subsequent listings.

TUESDAY MORNING Section A Convention Center Room 16A Advances and Challenges in Fermentation Process Development Mass Transfer, High Cell Density, and Fungal Fermentation

N. S. Wang, S-D. Wang, Organizers 8:10—79. Production of a novel /V-acetyl-Dglucosamine polymer through Bacillus lentus fermentation and the enzymatic degra dation. L Liu, L. Huang, B. Wang, N. Jones, D. Fodge, D. M. Anderson 8:35—80. Heterologous protein production by recombinant Aspergillus niger in sub merged and solid-state fermentations: Ef fects of culturing methods on recombinant protein production. M. Talabardon, S-T. Yang 9:00—81. Effect of increased agitation inten sity on recombinant protein productivity in a production-scale Aspergillus oryzae fun gal fermentation. M. R. Marten, Z. Li, A. G. Pedersen, K. S. Wenger 9:25—Intermission. 9:45—82. Tower-type fermenter with high mass transfer capability. W-T. Wu, P-M. Wang, H-P. Cheng, J-W. Chen 10:10—83. High-density cultivation of Panax notoginseng cells for production of gin seng saponin and polysaccharide in bioreactors. J-J. Zhong, W-W. Hu 10:35—84. Mass transfer model for L-lysine fermentation. S. Ensari, H. C. Lim

Section D Convention Center Room 17A • Environmental Biotechnology

T. R. Pulliam Holoman, J. B. Williams, Organizers 8:30—94. Inhibition of multicellular behavior of Escherichia coli and Bacillus subtilis by 4-bromo-5-(bromomethylene)-3-butyl2(5H)-furanone. D. Ren, J. J. Sims, T. K. Wood 8:50—95. Rapid detection of microorganisms using hybridization assays and 5S rRNA. K. D. Kourentzi, G. E. Fox, R. C. Willson 9:10—96. Anaerobic PAH-degrading enrich ment cultures under methanogenic condi tions. W. Chang, Y. Urn, T. R. Pulliam Ho loman 9:30—Intermission. 9:50—97. Effects of metal mixtures in the growth of Pseudomonas putida F1 and the biodégradation of toluene and phenol mixtures. K. F. Reardon, K-H. Kim 10:10—98. Tunable biopolymers for heavy metal removal. J. Kostal, A. Mulchandani, W. Chen 10:30—99. Use of ELISA for PAH detection and differentiation. J. Tharakan, M. Robinson 10:50—100. Stimulation of microbial polycyclic aromatic hydrocarbon biodégradation by plant chemicals. K. F. Reardon, P. E. Olson, E. Pilon-Smits, J. Lowell, N. M. DuTeau, D. A. Klein • Genomics and Proteomics Technologies and Applications cosponsored with Biotechnology Secretariat (see page 69) Inter- and Intramolecular Forces in Biological Systems cosponsored with Division of Colloid & Surface Chemistry (see page 104)

TUESDAY AFTERNOON Section A



Marvin J. Johnson Award Presentation and Lecture

The Process of Process Development

J. V. Shanks, Presiding 11:30—85. After a decade of progress, an expanded role for metabolic engineering. G. N. Stephanopoulos

Section C Convention Center Room 16B Biospecific Interactions: Molecular Recognition and Affinity Separations A. M. Lenhoff, J. L. Coffman, Organizers 8:10—86. Predicting selectivity of proteins in ion-exchange systems. C. B. Mazza, N. Tugcu, C. M. Breneman, S. Garde, S. M. Cramer 8:30—87. Affinity chromatography using the cellulose binding domain CBD Tma | X . M. Kavoosi, B. McLean, J. Kormos, Z. Dijkstra, D. G. Kilburn, C. A. Haynes 8:50—88. A novel chromatographic tech nique to facilitate integration and simplifi cation of processes for production and pu rification of monoclonal antibodies. W. Schwartz, D. Judd, M. Wysocki, P. Santambien, L. Guerrier, E. Boschetti 9:10—89. Immobilized-metal affinity separa tion of nucleic acids. R. C. Willson, J. C. Murphy, D. Jewell 9:30—Intermission. 9:50—90. Ligands from combinatorial pep tide libraries for virus detection and remov al. J. R. Salm, D. Brown, D. Hammond, R. G. Carbonell 10:10—91. Study of lipid-protein interactions using vesicle affinity capillary electro phoresis. S. Howard, R. Apkarian, M. Sundd, E. D. Breyer 92. Withdrawn.

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C. F. Goochee, J. Aunins, Organizers 2:00—101. Assay development for improved process development. J. Lewis 2:30—102. Scale-down and economic modeling: Tools for rapid process development in the recovery of proteins from transgenic milk. L W. Pampel, M. Udell, P. Dunnill, N. J. Titchener-Hooker 3:00—103. Honey, I shrunk the bioreactor! G. Rao, Y. V. Kostov, L. Eichhorn, P. Harms 3:30—Intermission. 3:50—104. Utilizing scale-down models in the cell culture development process. S. Kaneshiro, R. Kiss 4:20—105. Roadmap for development of an effective CHO fed-batch API-1 process. X. S. Gu, B. Horvath, K. Campbell, B. O'Reilly, M. Rosenberg 4:50—106. Optimizing the process of process transfer. C. F. Goochee

2:24—109. Effect of ionic strength on protein uptake rates in ion exchange chromatog raphy particles. S. R. Dziennik, A. M. Len hoff, E. B. Belcher, S. Fernandez 2:46—110. Purification of non- and myristoylated neuronal calcium sensor-1 using single-step hydrophobic interaction chro matography. J. R. Fisher, Y. Sharma, S. J. luliano, K. O'Donnell, D. Krylov, J. Hur ley, J. Roder, A. Jeromin 3:08—111. Hydrophobic displacement chro matography: Displacer discovery and ap plications for bioprocessing. K. M. Sunasara, F. Xia, C. B. Mazza, C. Brene man, R. Gronke, R. Rupp, S. M. Cramer 3:30—Intermission. 3:40—112. Membrane chromatography of nanometer-sized bioparticles. M. R. Etzel, J. Fischer, H. Yang 4:02—113. Centrifugal precipitation chroma tography: Protein fractionation by differen tial precipitation. J. T. Hsu 4:24—114. Development and validation of a recovery and purification process for re combinant AAV-based gene therapy vec tors. D. J. Debelak, J. R. Weil, E. Eith, G. Nichols, L. Giugler, E. M. Atkinson 4:46—115. Enantiomer separations by con tinuous electrophoresis. C. F. Ivory, B. Thome 5:08—116. Lowering protein adsorptive foul ing through photoinduced grafting of com mercial membranes. J. P. Pieracci, J. Crivello, G. Belfort

Section C Convention Center Room 16B Advances in Microscale Bioengineering Technology

G. Jovanovic, F. W. R. Chaplen, Organizers 1:50—Introductory Remarks. 1:55—117. Microfabricated biohybrid con structs for tissue engineering. T. A. Desai 2:17—118. Effect of nanostructured surfaces on the behavior of human corneal epitheli al cells. P. F. Nealey, A. I. Teixeira, G. A. Abrams, C. J. Murphy 2:39—119. Development of a novel microreactor with a capture dot technology. L. Moyovic, R. Upson, F. W. R. Chaplen, A. Petersen, T. K. Plant, G. N. Jovanovic 3:01—120. Effect of microscale gradients of immobilized adhesion molecules on neurite outgrowth. D. N. Adams, E. Y. Kao, M. D. Distefano, P. C. Letourneau, W-S. Hu 3:23—121. Customizing cellular microenvironments for hepatic tissue engineering. S. N. Bhatia 3:45—Intermission. 4:00—122. Development of a passive microball valve for biotechnology applications. C. Wu, W. Wangwatcharakul, B. K. Paul, J. Liburdy, T. Plant, G. N. Jovanovic 4:22—123. Electrophoretic stretching of DNA on microfabricated structures. S. M. Fer rée, H. W. Blanch 4:44—124. Silicon microbial bioreactor arrays. M. M. Maharbiz, R. T. Howe, J. D. Keasling 5:06—125. Biomedical polymer-opto-electromechanical systems (BioPOEMS) for advanced biochips. L. P. Lee 5:28—Concluding Remarks. • Genomics and Proteomics Technologies and Applications cosponsored with Biotechnology Secretariat (see page 70)

Section Β Convention Center Room 11B Biological Separations: Theory and Practice

R. Bates, A. K. Velayudhan, Organizers 1:40—107. Conformation and a new model ing approach to hydrophobic chromatogra phy. T. L. Tibbs, J. M. Sokol, J. P. O'Connell, E. J. Fernandez 2:02—108. Development and optimization of an immobilized-metal affinity chromatogra phy for downstream purification of a re combinant protein. A. Kundu, K. Allen, J. Bettencourt, R. Carrillo, M. Snyder, G. Burton


WEDNESDAY MORNING Section A Convention Center Room 1A Biology and Biochemistry of Cell Culture Technology

D. S. Kompala, C. Zhang, Organizers 8:00—Introductory Remarks. 8:05—126. Use of dicistronic selection in CHO and BHK cells for rapid assessment of expression. M. D. Moore, M. Kelly 8:25—127. Genomic and proteomic analysis of metabolic shift in continuous cell culture. R. Korke, A. Rink, T. K. Seow, M. Chung, C. Beattie, W-S. Hu 8:45—128. Optimizing hypothermic operations of cell culture by gene expression. Q. Meng, P. Lai, R. A. Narayanan, W-S. Hu 9:05—129. Overexpressing foreign proteins in CHO cells: Effect of glucocorticoid receptor in inducing MMTV promoter. M. V. R. Murthy, A. K. O'Brien, M. L. Lipscomb, R. I. James, D. S. Kompala 9:25—Intermission. 9:40—130. Application of antideath genes to enhance cell performance in culture. B. Figueroa, T. M. Sauerwald, G. A. Oyler, J. M. Hardwick, M. J. Betenbaugh 10:00—131. Modulation of cell proliferation by the overexpression of c-myc gene. V. Ifandi, M. Al-Rubeai 10:20—132. Effects of elevated pC0 2 and osmolality on hybridoma cell size, intracellular pH, apoptosis, and metabolism. V. M. deZengotita, A. E. Schmelzer, W. M. Miller 10:40—133. Osmoprotectants increase NCAM polysialylation under hyperosmolality but not under elevated pC0 2 . Α. Ε. Schmelzer, W. M. Miller 11:00—134. Selection and characterization of a cell-based biosensor system for food and water safety applications. F. W. R. Chaplen, R. H. Upson, B. Kea, C. Carlyle, K. Rorrer, J. E. Trempy, P. N. McFadden 11:20—Concluding Remarks.

Section Β Convention Center Room 3 2001 Elmer Gaden Award

J. V. Shanks, D. S. Clark, Presiding 11:45—135. Award Address. Glycosylate engineering: A route to new, more active antibodies. P. Umana, J. E. Bailey.

Section C Convention Center Room 16B Continuous Protein Separations

J. H. Vogel, C. A. Haynes, Organizers 8:00—136. Protein extraction using aqueous two-phase systems. M-R. A. Kula, K. Selber 8:23—137. Potential for exploitation: Contin uous foam separation of proteins. J. Varley 8:46—138. Preparative continuous annular chromatography: A platform technology for industrial downstream processes. J. Wolf gang 9:09—139. Continuous annular chromatog raphy for isolation of recombinant protein drugs: A proof-of-principle study. J. H. Vo gel, P. Wu, M. Pritschet, J. Wolfgang, K. Konstantinov 9:32—Intermission. 9:50—140. Preparative continuous annular biochromatography: BIO-P-CAC. R. Freitag, R. Giovannini 10:13—141. Continuous purification of green fluorescent protein by simultaneous ionexchange chromatography and sizeexclusion chromatography. A. Jungbauer, A. Uretschlaeger 10:36—142. Simulated moving bed: Chro matography for the isolation of value prod ucts from multicomponent mixtures. M. Schulte 10:59—143. Continuous chromatography in the downstream processing of biotechnological products. J. Strube

HTTP://PUB5.ACS.ORG/CEN

WEDNESDAY AFTERNOON Section A Convention Center Room 1A Advances and Challenges in Cell Culture Process Development

F. W. R Chaplen, R. A. Taticek, Organizers 1:55—Introductory Remarks. 2:00—144. Adenovirus production using glutamine-limited fed-batch cultures of 293HEK serum-free suspension cells. Y. Y. Lee, K. L. Seah, M. G. S. Yap, K. Wong 2:22—145. Amino acids protect hybridoma and CHO cells from elevated pC0 2 . V. M. deZengotita, A. E. Schmelzer, L. Abston, W. M. Miller 2:44—146. Production of monoclonal anti bodies in traditional and novel bioreactors. R. Ohashi, I. Yamato, J F. P. Hamel 3:06—147. CBD-Factor X fusion protein pro duction by a stable transformed Sf9 insect cell line in a high-cell-density perfusion culture. V. M. Gorenflo, T. A. Pfeifer, T. A. Grigliatti, G. Lesnicki, D. G. Kilburn, J. M. Piret 3:28—Intermission. 3:40—148. Continuous bioreactor studies with recombinant CHO cells overexpressing a secreted reporter protein. M. L. Lips comb, M. V. R. Murthy, D. S. Kompala 4:02—149. Modeling carbon dioxide mass transfer in cell culture reactors: Effects of bubble size and reactor height, and impli cations for scale up. S. Meier, R. Taticek 4:24—150. Temperature shift optimization in fed-batch mammalian cell culture. B. Horvath, G. Sullivan, S. Gu, M. Rosenberg 4:46—151. Applicability of scale-up models for mixing and oxygen transfer at large scale. B. OueMette, B. M. Schaerringer, P. S. Chen, K. Ram 5:08—152. Development of mammalian cell culture bioreactor processes: Increasing productivity and process robustness. J. R. T. Wayte 5:30—Concluding Remarks.

Section Β Convention Center Room 3 A Advances in Biocatalysis Enzyme Improvement

W. Chen, V. Hatzimanikatis, Organizers 2:00—153. Recombinant approaches to en zyme discovery. E. C. Tozer, K. A. Kretz 2:22—154. Protein and enzyme engineering from a structural perspective. T. Gallagher, M. J. Holden, M. P. Mayhew, V. L. Vilker 2:44—155. Solid-phase screening of enzyme variants. D. C. Youvan, E. J. Bylina, W. J. Coleman 3:06—156. Direct evolution of organophosphorus hydrolase for improved hydrolysis of pesticides. C. M. Cho, A. Mulchandani, W. Chen 3:28—Intermission. 3:50—157. Libraries of hybrid proteins from distantly related sequences. C. A. Martin ez, A. K. Udit, V. Sieber, F. H. Arnold

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Presidential Series


Biopolymers 4:12—158. Bidirectional improvement of oxi 183. Bacterial expression of a poly(Ldative and thermostabilities of N-carleucylglutamic acid) fusion protein for use bamyl-D-amino acid amidohydrolase by in in studying structure-property relationships vitro evolution. H-S. Kim, K-H. Oh, S-H. of disordered copolymers. N. L. Goeden, Nam J. D. Keasling, S. J. Muller 4:34—159. Multiple sequence alignment, 184. Enzymatic synthesis of sugar-lactide cophylogenetic analysis, and computational polymers for use as biodegradable materistructure determination of phospholipase als. H. Jia, P. Wang D. M. Meisch, A. T. Laederach, P. J. Reilly 185. Production of lactan gum by Rahnella 4:56—160. Molecular evolution to develop aquatilis: Sugar utilization and glucose thermal stable hydrolases. K. A. Gray, T. transport. M. M. Zhu, D. C. Cameron H. Richardson, J. B. Garrett, D. Robertson 186. Transglutaminase cross-linking of gelatins. M. M. Taylor, Ε. Μ. Brown WEDNESDAY EVENING 187. Production of galacto-oligosaccharides Convention Center from lactose by Aspergillus oryzae Sails Pavilion β-galactosidase immobilized on cotton cloth. N. Albayrak, S-T. Yang Poster Session Fermentation and Cell Culture 6:00-9:00 Technology D. E. Block, V. Goetz, Organizers 188. Cloning and sequencing of gene encod ing acetate kinase from Clostridium tyrobutyricum. Y. Zhu, S-T. Yang Bioconversions and Biocatalysis 189. Control of glucose feeding using exit 161. Bioconversion of Stemodia mahtima gas data and comparison of pH stat and diterpenes and derivatives by Cunninghaglucose stat for fed-batch fermentation of mella echinulata var. elegans ATCC recombinant E. coli XL1 blue. K-J. Duan, 8688a. A. S. C. Lamm, P. B. Reese C-S. Yin 162. Bioconversion of squamulosone and 190. Comparative ethanol fermentation per synthetic analogs by Curvularia lunata formance of xylose-utilizing Zymomonas ATCC 12017. D. O. Collins, P. B. Reese mobilis strains in mixed glucose-xylose 163. Steroid transformation by Mucor media. Q. Gao, M. Zhang, J. D. Mcmillan, plumbeus ATCC 4740. P. B. Reese, A. R. D. S. Kompala M. Chen 191. In silico analysis of xylose metabolism 164. Biocatalytic production of p-hydroxyin recombinant Saccharomyces cerevisibenzoic acid: Process biochemical analy ae. Y-S. Jin, T. J. Jeffries sis. J. E. Gavagan, A. Kopatsis, F. B. 192. Application of δ/UB integration for the Cooling, A. Ben-Bassat metabolic engineering of 1,2-propanediol 165. Cell surface display of recombinant pro production in yeast. W-K. Lee, N. A. Da tein on Bacillus subtilis. I-S. Park, C. Lee, Silva B-G. Kim 193. Expression and secretion of lignin per 166. Development of a chemically defined oxidase in recombinant Kluyveromyces medium for a yeast fermentation/biolactis. W. Panuwatsuk, H. B. Hsieh, N. A. conversion process. J. Zhang, J. Reddy, Da Silva B. Junker, D. Robinson, R. Greasham 194. Expression and secretion of erythropoi 167. Synthesis of 1,2,6-trisubstituted-1Hetin fused with green fluorescent protein in quinazolin-4-ones on solid support. D. recombinant Drosophila melanogaster S2 Seconi, H. Lang, T. Brady, S. C. Sutton cells. H. S. Shin, H. J . Cha Enzymatic Reactions and Technology 195. In vivo manipulation of Trichoplusia ni 168. Asymmetric synthesis of i_-2-amino-4larvae to produce recombinant protein. S. butyric acid using transaminase technolo F. Kramer, W. E. Bentley gy. B-K. Cho, H-S. Joo, T-W. Kang, B-G. 196. Inhibition of sodium butyrate-induced Kim apoptosis in recombinant CHO cells by 169. Chorismate lyase: Understanding the overexpression of antisense RNA of mechanism of product inhibition. M. P. caspase 3. N. S. Kim, G. M. Lee Mayhew, M. J. Holden, T. Gallagher, V. L. 197. Propagation of four serotypes and one Vilker full-length infectious cDNA clone of den 170. Discovery and molecular evolution of gue viruses in microcarrier cell culture sys novel amylases. D. L. Blum tem. S-C. Wu, C-C. Liu 171. Discovery of novel biocatalysts and their 198. Toward the secret of protein hydrolyindustrial applications. B. A. Steer sates: Specific effects of synthetic oli 172. Identification of permissive sites in E. gopeptides on cultured animal cells. F. coli GroEL. D. Amatore, F. Baneyx Franek, H. Katinger 173. Immobilization of lipases by entrapment 199. One-step inoculation concept: A new in hydrophobic sol-gel materials and its seed-train expansion for recombinant application in the hydrolysis of soybean mammalian cell lines. R. Heidemann, M. oil. H. Noureddini, X. Gao Mered, D. Wang, B. Gardner, C. Zhang, J. Michaels, H-J. Henzler, K. Konstantinov 174. Molecular evolution to develop thermal stable hydrolases. J. B. Garrett, K. A. 200. Development of an integrated strategy Gray, T. H. Richardson, D. Robertson for selection of recombinant cell lines. A. 175. Pre-steady-state studies on adenoJ. Castillo Vitlloch, L. Rojas del Calvo, S. sylcobalamin-dependent glutamate muVictores, E. Faife, R. Perez tase. I. Roymoulik, E. N. G. Marsh 201. Use of flasks in rapid cell culture/ 176. Substrate partitioning as a controlling fermentation process development. E. factor for enzymatic transformations in or Brodean, B. M. Gupta, P. Lio, P. K. Namganic media. A. P. Borole, C. L. Cheng, dev, J. Wang Β. Η. Davison 202. Successful transfer of mammalian cell 177. Prediction of optimum pH of hydrolases. culture processes producing monoclonal N. G. Sung, S. P. Pack, Y. J. Yeon, Y. J. antibodies in hybridomas from stirred tank Yoo reactor to air lift fermenter technology. S. Abraham, H. Bland, A. Westlake, M. Bioremediation and Environmental Brown, D. Vêlez, J. Goldstein Biotechnology 178. Withdrawn. Purification of Biomolecules 179. Characterization of PAH-degrading mi 203. Nonlethal ultrasonic extraction of mencrobes under methanogenic conditions. Y. thol from Menthaxpiperata. A. Shotipruk, Urn, W. Chang, T. R. Pulliam Holoman P. B. Kaufman, H. Y. Wang 180. Isolation of a novel phosphodiesterase 204. Anion exchange displacer discovery usfor biodégradation of organophosphates. ing high-throughput screening and quantiS. K. Tehara, J. D. Keasling tative structure efficacy relationship mod181. Removal of textile bleaching agents with els. N. Tugcu, C. B. Mazza, S. Park, J. A. immobilized catalases. S. A. Costa, A. Moore, Y. Sanhgvi, S. M. Cramer Parr, M. Gudelj, G. M. Gubitz, A. CavacoPaulo 182. Simulation and experiment on the biofiltration of air contaminated by VOCs. H-S. Choi, S-D. Hong, S-W. Myung, l-H. Kim


205. Evaluation of spray-dried and oil emulsion fluoride-modified zirconia (FmZr) particles for preparative bovine serum albumin adsorption between 25 and 55 °C. B. G. Sepp, M. C. Flickinger 206. Predicting column performance in displacement chromatography from highthroughput screening batch experiments. K. Rege, N. Tugcu, J. S. Dordick, S. M. Cramer 207. Development of a cation-exchange process for purification of a recombinant protein: role of pH transitions and their effect on protein stability. S. Ghose, C. Thwin, T. Johnson, T. McNerney 208. Evaluation of models for scale up of compressible column packing. R. N. Keener III, J. E. Maneval, A. J. Howes, K. Ostergren, E. J. Fernandez Bioprocess Engineering 209. Cost analysis, debottlenecking, and optimization of integrated biochemical processes. D. Petrides, P. Lagonikos 210. Enhanced high-fructose syrup production by a hybrid fermentation/pervaporation system using a silicone rubber hollow-fiber membrane module. I. Gagne, T. Matsuura, Ζ. Duvnjak 211. Enzymatic saccharification of cellulose in tubular membrane reactors with recy cling of enzymes. R. Y. K. Yang, D. Sun 212. Improvement of erythritol production in fed-batch culture of Candida magnoliae. C-Y. Park, K-C. Han, S-Y. Kim, Y-H. Koh, Y-W. Ryu, J-H. Seo 213. Improvement of hydrocarbon recovery in two-phase and two-stage cell-recycle extraction culture of Botryococcus braunii. S. J. Sim, J. Y. An, B. W. Kim 214. Early phase process development for recombinant protein antigen: Issues, chal lenges, and solutions. R. G. Beri, I. John son, D. Hemmavanh, O. Martinez, U. de Alwis, J. Seals, S. Jain Analytical Methods and Tools 215. Custom-designed, multiwell tissue cul ture plate for use in hematopoietic stem cell migration and division studies. K. Francis, J. Marciniak, T. Allen, B. Palsson 216. Analysis of murine hematopoietic stem cell tracks in the context of a random walk model. G. J. Gemmen, C. A. Lopez, E. Carrier, B. O. Palsson, K. Francis 217. Complete sequencing of antithyroxine Fab fragment by electrospray ion trap mass spectrometry with a combination of database searching and manual interpre tation of the MS/MS spectra. J. Wu, M. Adamczyk, J. C. Gebler 218. Electrophoretic trapping and mobility of large circular DNA in gels. K. D. Cole, C. M. Tellez, B. Âkerman 219. Improved stress-responsive reporter strains for antimicrobial screening. Ε. Μ. Shapiro, F. Baneyx 220. Live-cell biosensors of protein activation based on novel fluorescent dyes. A. Toutchkine, K. Hahn 221. Mechanistic study of papain digestion of monoclonal antibodies by electrospray mass spectrometry. J . Wu, M. Adamczyk, J. C. Gebler 222. P450RGS: A cell-based assay for deter mining dioxin equivalents in environmental samples. L. S. Inouye, V. A. McFarland, C. Y. Ang 223. Region-selective labeling of antibodies as determined by electrospray ionization/ mass spectrometry. K. Shreder, M. Ad amczyk, J. C. Gebler, J. Wu 224. Online monitoring of the protein X oxi dation kinetics using RP-HPLC. A. Lavin, H. Yeung, J. Beck 225. Experimental analysis on biomolecular transport through nanopores. H. J. Kim, M. S. Pio, L. P. Lee 226. Programmable optochemical micropro cessor for nanoscale biochemical analysis applications. S. Kwon, L. P. Lee 227. Self-aligned microlens array on microfluidic devices for nanovolume bioassay. J. Seo, L. P. Lee Cell and Protein Interactions with Surfaces 228. Effects of cell surface characteristics on the attachment of microorganisms in fibrous-bed bioreactor for fermentation. Y. Zhu, S-T. Yang 229. Role of colanic acid capsule in the ad hesion of uropathogenic bacteria. A. C. Hanna, A. Razatos

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BIOT/CARB/TECHNICAL PROGRAM

230. Withdrawn. 231. Molecular analysis of biosorption be tween alginic acid and metals. J. Y. Park, C. Jeon, Y. J. Yoo, S. Ahn 232. Ordered silica nanostructure created by reaction of tetrahydroxysilane solution with peptide isolated from the diatom C. fusiformis. L A. Sowards, P. W. Whitlock, L. L. Brott, R. R. Naik, M. O. Stone

11:04—248. Enantioselective synthesis and separation with equilibrium conversion us ing immobilized whole cells. T. R. Gervais, J. L. Gainer, G. Carta 11:26—249. Preparation of optically active β-amino acids from microbial polymer. S. H. Park, S. H. Lee, Y. Lee, S. Y. Lee

Section A Section A

D. Applegate, S-T. Yang, Organizers 8:30—Introductory Remarks. 8:40—233. Biodegradable composite scaf fold for cell transplantation. G. A. Ameer, T. Mahmood, R. Langer 9:00—234. Characterization of the mechani cal and chemical environment in a carti lage bioreactor using computational fluid dynamics. K. A. Williams, S. Saini, T. M. Wick 9:20—235. Bioreactor for the scalable pro duction of engineered cartilage constructs. S. Saini, T. M. Wick 9:40—236. Kinetics of collagen cross-linking in adult bovine articular cartilage. T. Ahsan, F. Harwood, D. Amiel, R. L. Sah 10:00—Intermission. 10:15—Introductory Remarks. 10:20—237. Use of porcine collagen as a scaffold for a tissue-engineered smalldiameter vascular graft. P. S. McFetridge, J. B. Chaudhuri, J. A. Howell, T. Bodamyali, C. R. Stevens, M. Horrocks 10:40—238. New macromolecular architec tures for control of cell and tissue behav ior. K. Di Zio, E. Welsh, A. Panitch, S. Heilshorn, P. Nowatski, D. Tirrell 11:00—239. Endothelial cell culture on artifi cial extracellular matrix proteins. S. C. Heilshorn, E. R. Welsh, D. A. Tirrell 11:20—240. Strategies to control smooth muscle cell function in tissue-engineered blood vessels. J. P. Stegemann, R. M. Nerem 11:40—241. Characterization of valve cells and their interactions with a polyvinyl al cohol) scaffold. C. R. Nuttelman, G. A. Walker, L. A. Leinwand, K. S. Anseth

Section Β Convention Center Room 3

8:30—242. Evaluation of bacterial biocata lysis for terminal alkane oxidations. W. T. Stringfellow 8:52—243. Interface-assembling enzymes for bioprocessing applications in aqueousorganic biphasic systems. G. Zhu, P. Wang 9:14—244. Peroxidase-catalyzed epoxidation of alkenes. Β. Η. Davison, A. Mulchandani, A. P. Borole, C. L. Cheng 9:36—245. Use of autooptimize technology for biocatalysis process development. F. Moris 9:58—Intermission. 10:20—246. Flow cytometry: A valuable tool to enable process improvements in wholecell biotransformations. A. Amanullah, C. J. Hewitt, A. W. Nienow, C. Lee, M. Chartrain, B. C. Buckland, S. W. Drew, J. M. Woodley 10:42—247. Bioconversion of toluene to p-hydroxybenzoic acid. A. Ben-Bassat, K. K. Chen, A. Kopatsis, A. L. Gatenby, J. E. Gavagan, S. Sariaslani, J. L. Ramos

C&EN/

M A R C H 5,

2001

DIVISION OF CARBOHYDRATE CHEMISTRY Z. J. Witczak, Program Chair M. Manoharan, Program Secretary

SOCIAL EVENT: Social Hour, Reception, Dinner, Mon BUSINESS MEETING: Sun

SUNDAY MORNING Section A Convention Center Room 1B

1:40—259. New routes to natural product biosynthesis. B. A. Pfeifer, C. Khosla 2:00—260. Enhancing cephamycin C syn thesis in Streptomyces clavuligerus by dis ruption of a putative two-component sys tem. W. Lian, Y-S. Hong, D. H. Sherman, W-S. Hu 2:20—261. Identification and characteriza tion of sialic acid pathway genes through bioinformatics. M. J. Betenbaugh, S. M. Lawrence, T. A. Coleman, K. A. Huddleston, W. F. Vann, Y. C. Lee, L. R. Pitts, N. Tomiya 2:40—262. Characterization of intracellular proteolytic activity in Pichia pastoris. N. Sweeney, T. R. Pulliam Holoman 3:00—Intermission. 3:20—263. Evaluation of multiple genetic modifications to improve the yield of ketoacid formation in recombinant Pantoea citrea. T. Dodge, M. Du, M. Kumar, H. Rashid, F. Valle 3:40—264. Simultaneous degradation of organophosphorus pesticides and p-nitrophenol by a genetically engineered Moraxella sp. with surface-expressed organophosphorus hydrolase. M. Shimazu, A. Mulchandani, W. Chen 4:00—265. Sequential integration for the in sertion of metabolic pathways in industrial yeast. C. G. Ching, S-H. Jang, N. A. Da Silva 4:20—266. Production of β-galactosidase by Pichia pastoris under oxygen limitation and oxidative stress. C-W. Hung, T. R. Pulliam Holoman

* Nucleic Acid-Based Therapeutics and Related Technologies Cosponsored with Division of Medicinal Chemistry and Division of Organic Chemistry

J. Chattopadhyaya, Presiding 2:00—10. Recent progress in the synthesis and cellular uptake of modified oligonuc leotides. E. Uhlmann 2:35—11. Design of two sets of four hydrogen-bonding base-paired nucleo sides and incorporation into oligonucleo tides for enhanced thermal stability. A. Matsuda, N. Minakawa, N. Kojima, Y. Ueno 3:10—12. Structure-activity relationships of immunostimulatory oligonucleotides. E. R. Kandimalla, Q. Zhao, D. Yu, S. Agrawal 3:45—13. Peptide nucleic acid: Toward anti bacterial drugs. P. E. Nielsen 4:20—14. Phosphorodiamidate morpholino oligomers. P. Iversen 4:55—Concluding Remarks.

• Nucleic Acid-Based Therapeutics and Related Technologies Cosponsored with Division of Medicinal Chemistry and Division of Organic Chemistry


M. Manoharan, Organizer

C. Bertozzi, Presiding

E. Uhlmann, Presiding

1:25—Introductory Remarks. 1:30—15. Automated synthesis of defined oligosaccharides and glycosaminoglycans as molecular tools for glycobiology. P. H. Seeberger 2:10—16. New simple tools for the synthesis of carbohydrate analogs. O. Hindsgaul 2:50—17. Glycoside decoys that inhibit gly c o s y l a t e and tumor formation. J. D. Esko, J. Brown, M. Fuster 3:30—18. Crystal structures of P- and E-selectin complexed with SLe x and PSGL-1. R. T. Camphausen, W. S. Somers, G. D. Shaw 4:10—19. Ν ucleotidylyltransferase-catalyzed production of natural and "unnatural" nu cleotide sugar libraries: The first step in the glycorandomization of natural productbased metabolites. J. S. Thorson, J. Jiang, W. A. Barton, J. B. Biggins, J. Lesniak, D. B. Nikolov

9:00—Introductory Remarks. 9:05—1. Medicinal chemistry of antisense oligonucleotides. M. Manoharan 9:40—2. Antisense therapy for diabetes. B. P. Monia 10:15—3. Sugar-modified oligonucleotides: How sweet they are. M. J. Damha 10:50—4. Do we understand the molecular nature of antisense oligo/RNA hybrid du plex recognition by RNase H? J. Chattopadhyaya 11:25—5. Cyclohexene nucleic acids: Serum stable oligonucleotides that activate RNase H and increase duplex stability with complementary RNA. P. Herdewijn

Section Β Convention Center Room 3 Advances in Metabolic Engineering

W. Chen, V. Hatzimanikatis, Organizers

Convention Center Room 1B

D. Applegate, S-T. Yang, Organizers 1:40—Introductory Remarks. 1:45—250. Engineering liver tissue in vitro: Hepatocyte and stellate cell coculture. S. F. Abu-Absi, L. K. Hansen, W-S. Hu 2:05—251. Neurite outgrowth and turning in response to a surface pattern of a synthet ic, laminin-derived peptide. E. Y. Kao, C. G. Policarpio, D. N. Adams, M. D. Distefano, P. C. Letoumeau, W-S. Hu 2:25—252. Tissue-engineered constructs stimulate angiogenesis in ischemic cardiac tissue. L. K. Landeen, R. S. Kellar, A. Ratcliffe, S. K. Williams 2:45—253. Quantitative analysis of retroviral gene delivery system and its implications. Y. J. Kwon, C-A. Peng 3:05—Intermission. 3:20—Introductory Remarks. 3:25—254. Cell technology in the develop ment of a pancreatic tissue substitute. A. Sambanis, S-C. Tang, I. Constantinidis 3:45—255. Tissue-engineered 3-D con structs expressing foreign recombinant gene in vitro. Y. Xie, Y. Li, S-T. Yang, D. A. Kniss 4:05—256. Specific role of gp130 signaling in preserving the undifferentiated state of hematopoietic stem cells in vitro. J. Audet, C. L. Miller, C. J. Eaves, J. M. Piret 4:25—257. p 0 2 modulates megakaryocyte expression of cytokine receptors, tran scription factors, and lineage-specific markers. S. S. Mostafa, E. T. Papoutsakis, W. M. Miller 4:45—258. Tissue engineering human bone marrow from cord blood cells in 3-D nonwoven fibrous matrix. Y. Li, D. A. Kniss, L. C. Lasky, S-T. Yang

J. Vamer, Organizer

• Advances in Biocatalysis Applications of Biocatalysis

82

Convention Center Room 1A Tissue Engineering and Cell Therapy

Tissue Engineering and Cell Therapy Cartilage and Cardiovascular

Section A

CARB

THURSDAY AFTERNOON

THURSDAY MORNING Convention Center Room 1A

SUNDAY AFTERNOON


Section Β

Glycobiology

Glycobiology

MONDAY MORNING

C-H. Wong, Organizer


9:00—Introductory Remarks. 9:05—6. Targeting RNA with carbohydratebased molecules. Y. Tor 9:45—7. Determinants of aminoglycoside binding specificity to RNA subdomains. R. H. Griffey, Y. Ding, K. Lowery, V. Mohan, E. Swayze, S. A. Hofstadler 10:25—8. Molecular probes for glycoscience. Y. Ichikawa 11:05—9. Carbohydrate sulfation and the ini tiation of the inflammatory response. C. R. Bertozzi Saccharides, Oligosaccharides, Fatty Acids, and Lipids cosponsored with Division of Organic Chemistry (see page 146)

Hudson Award Symposium

J. F. Robyt, Organizer, Presiding 8:30—Award Presentation. 8:40—20. Award Address (Claude S. Hud son Award in Carbohydrate Chemistry, sponsored by National Starch & Chemical Co.). Carbohydrate recognition: Between biology and chemistry. Y. C. Lee 9:15—25. Programmed one-pot oligosaccha ride synthesis. C-H. Wong 9:50—22. Ceramide glycanase, a glycosphingolipid-specific endoglycosidase, and sialidase L, an intramolecular transsialidase. Y-T. Li 10:25—23. Isothermal titration microcalorimetry studies of the "multivalency effect" in carbohydrate-lectin interactions. C. F. Brewer, T. K. Dam, S. K. Das, S. Oscarson, R. Roy 11:00—24. New technology for carbohydrate structural analysis. G. R. Gray



MONDAY AFTERNOON Section A Convention Center Room 1B Hudson Award Symposium

M. Manoharan, Presiding 2:00—21. Antifreeze glycoproteins: Synthe sis and characterization of the specific mu cins. S-l. Nishimura 2:35—26. Recent developments in organometallic chemistry related to the syntheses of glycomimetics. R. Roy, B. Liu, R. Do minique 3:10—27. Role of carbohydrate-carbohy drate interaction in cellular processes. S-l. Hakomori 3:45—28. Glycopeptide-mediated gene de livery. K. G. Rice

Section Β Convention Center Sails Pavilion Poster Session

M. Manoharan, Z. J. Witczak, Organizers, Presiding 2:00-4:00 29. 2'-0-Carbamate containing oligonucleo tides: Synthesis and properties. M. Prhavc, M. Manoharan 30. Withdrawn. 31. /V-lodosaccharin: A new mild thiophilic activator of armed thiophenylglycosides. M. Aloui, A. J. Fairbanks 32. Adenosine kinase inhibitors: A new class of potential analgesic agents. B. G. Ugarkar, R. H. Lemus, J. E. GomezGaleno, M. C. Matelich, S. H. Boyer, J. B. Wiesner, S. Booten, M. D. Erion, M. Tsuchiya, M. Nakane, A. Nagahisa 33. Adenosine kinase inhibitors: Synthesis, enzyme inhibition, antiseizure, and anti inflammatory activities of 4'-C-substituted tubercidin analogs. S. H. Boyer, J. Solbach, B. G. Ugarkar, M. D. Erion 34. Adenosine kinase inhibitors: Synthesis, enzyme inhibition, antiseizure, analgesic, and anti-inflammatory activities of β-Derytoro-tubercidin analogs. S. H. Boyer, J. Solbach, M. C. Matelich, K. Ollis, J. E. Gomez-Galeno, R. V. Mendonca, D. Segale, J. Kopcho, B. G. Ugarkar, M. D. Erion, M. Tsuchiya, M. Nakane, A. Nagahisa 35. Adenosine kinase inhibitors: Synthesis and biological activity of novel 5-carbonylpyrrolo[2,3-c(]pyrimidine nucleo sides. R. H. Lemus, J. E. Gomez-Galeno, W. G. Schulz, B. G. Ugarkar, J. J. Kop cho, M. D. Erion 36. Adenosine kinase inhibitors: Synthesis and biological activity of novel tubercidin analogs. R. H. Lemus, W. G. Schulz, A. Agarwal, B. G. Ugarkar, M. Erion 37. Adenosine kinase inhibitors: Synthesis and biological activity of 5-aryl-7-(5-deoxyp-D-ribofuranosyl)pyrrolo[2,3-c/|pyrimidines substituted at C4 with glycinamides and related compounds. B. C. Bookser, M. Al lan, M. C. Matelich, R. H. Lemus, S. H. Boyer, D. M. Remick, B. G. Ugarkar, J. B. Wiesner, M. D. Erion, M. Tsuchiya, M. Na kane, A. Nagahisa

•

Catalysis

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M Materials W Medicinal & Pharmaceutical •


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Presidential Series


38. Adenosine kinase inhibitors: Synthesis, enzyme inhibition, and analgesic proper ties of water-soluble pyrrolo[2,3-d|pyrimidine nucleosides. J. E. GomezGaleno, B. G. Ugarkar, S. H. Boyer, M. C. Matelich, R. H. Lemus, B. C. Bookser, H. Gao, R. V. Mendonca, M. RamirezWeinhouse, J. Solbach, K. Ollis, W. G. Schulz, M. Allan, L. P. Miller, S. Booten, M. D. Erion 39. Adenosine kinase inhibitors: Synthesis, inhibition of adenosine kinase, and anal gesic activity of novel pyrrolo[2,3-c/]pyrimidine nucleosides. J . E. GomezGaleno, B. G. Ugarkar, H. Gao, R. V. Mendonca, W. A. Craigo, J. B. Wiesner, S. Booten, M. D. Erion 40. Analogs of distorted glycosidase sub strates: Mimics of sugars in boat confor mations. D. A. Berges, P. R. Smith 41. Approach to C-disaccharides using dithiane chemistry. P. Norris, J. L McCart ney, R. M. Cicchillo 42. Carbohydrate and lipid composition of ef fective emulsifier fractions of gum arabic. M. P. Yadav, E. A. Nothnagel 43. Carbohydrates as novel diazeniumdiolate protecting groups. C. A. Valdez, J. E. Saavedra, L. K. Keefer, J. J. Barchi Jr. 44. Catalytic mechanism of 2-deoxyribose-5phosphate aldolase and directed evolution approaches to alter its specificity. G. DeSantis, A. Heine, M. Mitchell, J. Lutz, I. A. Wilson, C-H. Wong 45. Crystal structure and conformation of 8,5'-anhydro-8-mercaptoadenosine hydro chloride. B. Paul, W. Panghorn, C. W. Porter, G. D. Smith 46. FRET terminators for DNA sequencing: Synthesis, fluorescence, and enzymatic activities of terminators derived from trifunctional linkers. P. J. Finn, S. Nampalii, J. R. Nelson, C. W. Fuller, P. Flick, S. Ku mar 47. Halogen photocleavage in 2-substituted promazines: Solvents dependence. L. Negron-Vega, J. C. Bezares, L. E. Pinero, J. Rivera, A. Arroyo, D. C. Garcia 48. Modeling carbohydrate-protein interac tions using automated docking. A. Laederach, M. J. Allen, P. J. Reilly 49. New strategy for the synthesis of repeat ing units of glycosaminoglycans. K. Benakli, R. J. Kerns 50. Nitric oxide: Synthesis of 02-glycosylated diazenium-diolates. J. Saavedra 51. Oligosaccharide profiling involving indi vidual organisms. Y. Xie, K. Tseng, A. Ro mero, J. Cruz, J. L. Hedrick, C. B. Lebrilla 52. Preliminary characterization of car bohydrate-enriched fraction from Echinococcus granulosus protoscoleces. M. Miguez, M. Rodriguez Ayan, M. A. Grompone, A. Nieto 53. Protein microspheres as drug delivery systems. T. Schuerle, D. Wright 54. Structural characterization of the O-antigen polysaccharide from wild-type Myxococcus xanthus lipopolysaccharide and its two mutants by the reductivecleavage method. S. Man, G. R. Gray 55. Synthesis and application of highly effi cient FRET cassettes and dideoxynucleotide terminators for DNA sequencing. W. Zhang, K. Lavrenov, H. Xiao, S. Kumar, S. Nampalii 56. Synthesis and biological evaluation of novel 2,4-dideoxy-4-C-hydroxymethyl-a,pL-lyxopyranosyl-pyrimidine and -purine nu cleosides. A. M. Stemphoski, J. A. Mont gomery, J. A. Secrist III 57. Synthesis of amino/aza-sugars and their derivatives through efficient ring expan sion of β-lactams. T. Wang, S. Lin, X. Wu, X. Geng, I. Ojima 58. Synthesis of antisense phosphorothioate oligonucleotides conjugated with lipophilic molecules via novel linkers. C. Wei, M. Manoharan 59. Synthesis of conjugates of ascorbic acid with metal chelates. R. S. Ranganathan, H. Fan, S. Eaton 60. Solid-phase synthesis of a β-peptidic sugar diamide library: Potential ligands for galactose-binding proteins. S. Riedel, O. Hindsgaul 61. Synthesis of a sialyl Lewisx analog and its recognition by E-selectin. K. Ramalingam, R. Pillai, T. Arunachalam, A. JinsiParimoo, R. S. Ranganathan

62. Synthetic efforts toward the preparation of C-glycoside dendrimers. M. J. Panigot, S-U. Kim, D. M. Bailey, A. E. Bailey, J. L. Faulkner, M. W. Arnold, D. Broadway, J. Middleton, K. Tran, R. Murthy, S. M. Winn 63. Use of S-stabilized intermediates in syn thesis of C-glycosides. I. Smoliakova, H. Liu 64. Introduction of a benzoyl group onto ribo side in aqueous solution. T. Maruyama 93. Thermodynamics and kinetics of oligonu cleotide binding. S. P. Walton, A. Jayaraman, G. N. Stephanopoulos, M. L. Yarmush, C. M. Roth M O N D A Y EVENING

Sci-Mix Organizer

8:00-10:00 32-37, 41, 44, 46, 49-51, 60, 54, 61, 59, 62. See previous listings. TUESDAY MORNING Section A Convention Center Room 1B Glycals and Other Unsaturated Sugars: Current Chemistry and New Applications—A Symposium in Honor of the Late Raymond U. Lemieux W . Priebe, K. Tatsuta, W. Priebe,

TUESDAY AFTERNOON Section A Convention Center Room 1B Glycals and Other Unsaturated Sugars: Current Chemistry and New Applications—A Symposium in Honor of the Late Raymond U. Lemieux

K. Tatsuta, Presiding


M. Manoharan,

• Genomics and Proteomics Technologies and Applications cosponsored with Biotechnology Secretariat (see page 69)

Organizers

2:00—76. Facile syntheses of nucleoside diphosphate activated D- and L-hexoses. W. Klaffke, C. Ernst, S. Natsch 2:35—77. Glycals and masked glycals: Cre ation of structural diversity and biologically important libraries. W. Priebe, I. Fokt, T. Kowalczyk, M. Krawczyk, G. Grynkiewicz, W. Szeja 3:10—78. Glycals as versatile precursors for the synthesis of natural products and com plex carbohydrates. P. H. Seeberger, O. J. Plante, E. R. Palmacci 3:45—Intermission. 4:00—79. Organometallic glycals: Applica tion to the synthesis of transition-metalmodified carbohydrates. K. H. Dôtz 4:35—80. Tri-(n-butyl)stannyl radical mediated regioselective ring opening of 3-0xanthyl-1,2-cyclopropanated hexopyranoses: A stereoselective route for C-glycosides. S. Bhagavathy, K. K. Balasubramanian

Section Β

Presiding

8:30—Introductory Remarks. O. Hindsgaul 8:50—65. Lemieux's inspiration for transition from glycals to macrolides to oligosaccha rides. B. Fraser-Reid, G. Anilkumar, L. Nair, K. V. Radhakrishnan 9:25—66. Total synthesis of natural products using unsaturated carbohydrates. K. Tat suta 10:00—67. Application of sugar ene-1,5lactones for the synthesis of aminodeoxysugars and iminosugars. M. Chmielewski 10:35—Intermission. 10:50—68. Glycals: Bridges from carbohy drates to noncarbohydrates. R. Ferrier 11:25—69. Carbohydrate enones as precur sors for the synthesis of thiodeoxy- and aminodeoxysugars. Z. J. Witczak

Section Β Convention Center Room 1A Contributed Papers: Synthetic and Structural Carbohydrate Chemistry

M. Manoharan, Organizer D. Horton, Presiding 9:00—70. Conformational studies on acyclic aldohexose derivatives in solution and in the solid state. D. Horton, O. Marcq, R. L. Luck 9:20—71. Applications of NMR spectroscopy in vaccine research. B. Coxon, V. Pozsgay 9:40—72. Structural analysis and chemical depolymerization of the capsular polysac charide of Streptococcus pneumoniae type 1. C. J. M. Stroop, C. A. Bush 10:00—73. Ultramicroscopy of triple-helical polysaccharide scleroglucan: Strandseparation and network formation. Β. Τ. Stokke, M. Dentini 10:20—74. Design, synthesis, and evalua tion of conjugated C-glycosides as novel glycosidase inhibitors. C-H. Lin, W-B. Yang, C-Y. Wu, C-C. Chang 10:40—75. Model for viscosity of hyaluronan solutions. M. K. Cowman, S. Matsuoka


Convention Center Room 1A Contributed Papers: Synthetic Carbohydrate Chemistry

Z. J. Witczak, Presiding 2:00—81. Halogenated enol ethers and enones from alkynol derivatives of xylose and glucose. M. Blandino, E. McNelis 2:20—82. New approach for the stereoselec tive glycosidation of 2-amino-2-deoxy-Dglucose derivatives. K. Benakli, C. Zha, R. J. Kerns 2:40—83. New, efficient glycosylate meth od for oligosaccharide synthesis under neutral conditions. K. J . Jensen, L. Pe tersen, J. B. Laursen 3:00—84. Solid-phase approaches to the synthesis of cyclic carbohydrates. C. H. Marzabadi, J. Ferguson, C. Mazza, C. Rapach, I. Negrete 3:20—85. Synthesis of "C-glycosides of ulosonic acids. R. J. Linhardt, B. Kuberan, T. Polat, Q. Wang * Genomics and Proteomics Technologies and Applications cosponsored with Biotechnology Secretariat (see page 70)

WEDNESDAY MORNING Convention Center Room 1B Contributed Papers: Nucleosides, Nucleotides, and Oligonucleotides

Y. Tor, Presiding 9:00—86. Electrochemically active tags for DNA sequencing. H. Weizman, Y. Tor 9:20—87. Coupling of 2-cyanoethyl phosphoramidites to oligonucleotides bearing unprotected internucleosidic phosphate moieties. A. P. Guzaev, M. Manoharan 9:40—88. Triple-helix stabilization by amino glycoside antibiotics. D. P. Arya, R. L. Coffee Jr., A. Willis III 10:00—89. Incorporation of 5-trifluoromethyl2'-deoxyuridine into DNA and its utility as a convertible nucleoside. S. T. Sigurdsson, P. Chirakul, J. C. Markley, G. P. Drobny 90. Withdrawn. 10:20—91. Attachment of specific labels to oligonucleotides for SERRS detection. D. Graham, R. Brown, W. E. Smith 10:40—92. Approach for clarification of the mechanism of inactivation of ribonucleo tide reductases with 3'[ 17 0]-labeled 2'azido-2'-deoxynucleotides. S. M. Chowdhury, P. I. Garcia Jr., S. F. Wnuk C&EN/MARCH5.2001

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Plant Polysaccharides cosponsored with Cellulose, Paper & Textile Division (see page 85)

WEDNESDAY AFTERNOON

THURSDAY AFTERNOON Industrial Applications of Plant Polysaccharides cosponsored with Cellulose, Paper & Textile Division (see page 86)

Convention Center Room 1B Contributed Papers: Nucleosides, Nucleotides, and Oligonucleotides

D. P. Arya, Presiding 2:00—94. Minor groove binder-oligonucleotide probes with pyrazolopyrimidine G bases: Improved performance and predictability. M. W. Reed, I. V. Kutyavin, S. G. Lokhov, E. A. Lukhtanov 2:20—95. Oligonucleotides with 2 ' - 0 DMAEOE modification: Combining the gauche effect for binding affinity and the "charge effect" for nuclease stability. M. Prhavc, T. P. Prakash, M. Egli, M. Manoharan, B. S. Ross, Q. Song 2:40—96. Covalent end-immobilization of DNA onto solid surfaces for microarrays. I. H. Lee, P. E. Laibinis 3:00—97. Development of structurally new nucleosides highly active against multidrug-resistant HIV. H. Ohrui, H. Mitsuya 3:20—98. Stereoselective synthesis of tetrahydrofuran derivatives: Application to the synthesis of biologically active nucleosides. S. Castillon, M. I. Matheu, Y. Diaz, F. Bravo, A. Viso, P. Molas, X. Arnés, G. H. Jana 3:40—99. Building blocks for the solutionphase synthesis of oligonucleotides: Regioselective hydrolysis of 3',5'-dilevulinyl-2'deoxynucleosides using an enzymatic approach. J. Garcia, S. Fernandez, M. Ferrero, V. Gotor, Y. Sanghvi Plant Polysaccharides cosponsored with Cellulose, Paper & Textile Division (see page 85)

THURSDAY MORNING Convention Center Room 1B Contributed Papers: Biochemistry and Biotechnology of Carbohydrates

K. G. Rice, Presiding 9:00—100. Model substrates for mechanistic studies of lectin-mediated adhesion and migration. B. T. Houseman, M. Mrksich 9:20—101. Synthesis of O-alkyl mannosamine derivatives as substrates for sialic acid biosynthesis. L. Chen, J. H. Lee, D. F. Wiemer, M. J. Welsh 9:40—102. Synthesis and biological evaluation of tumor-associated glycopeptide antigens. T. Tsuda, S-l. Nishimura 103. Withdrawn. 10:00—104. Synthesis of nontransportable ligands for lactose permease. P. I. Gunawan, M. Sahin-Toth, H. R. Kaback, T. Toyokuni 10:20—105. Glycodendrimers: Tools for studying lectin-carbohydrate interactions. J. F. Stoddart, S. Vidal, W. B. Turnbull 10:40—106. Glycoengineering cancer cells for selective immunotargeting of cancer. Z. Guo, T. Liu, Q. Yang, S. Sad, H. J. Jennings Industrial Applications of Plant Polysaccharides cosponsored with Cellulose, Paper & Textile Division (see page 86)

CELL CELLULOSE, PAPER & TEXTILE DIVISION

9:00—2. Reactions of anthrahydroquinone dianion with Michael acceptors. T. H. Fisher, W. Liu, T. P. Schultz 9:30—3. Alkaline hydrolysis of nonphenolic β-0-4 lignin diastereomers: Effect of the aand ^hydroxyls on the rate. T. P. Schultz, D. L. Criss, T. J. Elder, Τ. Η. Fisher 10:00—Intermission. 10:15—4. Conformational study of lignocellulosic structures by molecular modeling. D. Robert, S. Besombes, K. Mazeau, F. Taravel, J. P. Utille 10:45—5. Improved methods for the determi nation, isolation, and characterization of acid-soluble lignin. B. R. Hames, R. H. Leenheer 11:15—6. Defining the photostabilization succor properties of acetylated lignin. A. J. Ragauskas, Y. Pu, L. A. Lucia

Section Β Convention Center Room 11Β

K. J. Edgar, Program Chair

Surface Properties of Natural Fibers OTHER SYMPOSIA OF INTEREST: Glycobiology (see Division of Carbohydrate Chemistry, Sun, page 82) Hudson Award Symposium (see Division of Carbohydrate Chemistry, Mon, page 82) Membranes: Surface and Performance (see Division of Colloid & Surface Chemistry, Wed, Thu, page 105) Advances in Controlled Drug Delivery (see Division of Polymeric Materials: Science & Engineering, Wed, Thu, page 173) Macromolecular Self-Assembly at Surfaces and Interfaces (see Division of Polymeric Materials: Science & Engineering, Sun, Mon, Tue, Wed, page 167) Polymers in Supercritical Fluids (see Division of Polymeric Materials: Science & Engineering, Sun, Mon, page 168) High-Resolution NMR Spectroscopy of Polymers (see Division of Polymer Chemistry, Tue, Wed, Thu, page 164) In Situ Spectroscopy in Monomer and Polymer Synthesis (see Division of Polymer Chemistry, Mon, Tue, page 163) Opportunities and Needs in Polymer Science for Measurement Techniques, Standards, and Future Technologies (see Division of Polymer Chemistry, Sun, page 162) Saccharides, Oligosaccharides, Fatty Acids, and Lipids (see Division of Organic Chemistry, Sun, page 146) SOCIAL EVENTS: Open Program Meeting, Mon Social Hour, Payen Award Banquet, Tue BUSINESS MEETING: Mon

SUNDAY MORNING Section A Convention Center Room 11A Anselme Payen Award Symposium Lignin

G. Buschle-Diller, T. J. Elder, Organizers G. Buschle-Diller, Presiding 8:00—7. Design and preparation of model cellulose conjugates with enzyme activity in cotton gauze. J. V. Edwards, S. L. Ba tiste, D. R. Yager, R. F. Diegelmann, I. K. Cohen 8:30—8. Bleaching of denim fabrics with laccases. R. Campos, M. J. Rios, G. Gubitz, A. Cavaco-Paulo 9:00—9. Eco-friendly processing of cotton: Application to industrial manufacturing. R. Yamamoto, G. Buschle-Diller, T. Takagishi 9:30—10. Enzymatic treatment of wool fab rics pretreated by pulse corona discharge. T. Takagishi, M. Tahara, N. Mabuchi 10:00—Intermission. 10:15—11. Recovery of cellulases after tex tile processing. H. Azevedo, A. CavacoPaulo 10:45—12. Treatment of wool with chemical ly modified proteases. C. J. Silva, H. Oliveira, A. Cavaco-Paulo 11:15—13. Enzyme scouring of specialty hair fibers: Alterations in the physical and chemical properties. G. Ramaswamy, B. M. Gatewood

SUNDAY AFTERNOON Section A Convention Center Room 11A Anselme Payen Award Symposium Lignin

Section Β Convention Center Room 11B Surface Properties of Natural Fibers

A. Cavaco-Paulo, Presiding 1:00—21. Effect of enzyme treatments on cotton wax distribution. I. R. Hardin, D. E. Akin, S. Wilson, J. Kim 1:30—22. Influence of enzyme treatment on the hand-related mechanical behavior of spun yams. G. Buschle-Diller, F. L. Cook, R. Parachuru, J. He 2:00—23. Phosphorylation of cellulosic ma terials with some phosphonic acid deriva tives. E. J. Blanchard, E. E. Graves 2:30—24. Effect of mode of application on the wetting behavior of cotton fabrics treat ed with functional silanes. M. J. Drews, G. C. Lickfield, I. Luzinov, M. Powell, S. Alavi 3:00—Intermission. 3:15—25. Surface free energy of pretreated cotton fabrics. A. M. Grancaric, I. Soljacic, E. Chibowski 3:45—26. Improved durability of peroxidebased antibacterial agents on cotton/ polyester and polyester fabrics. T. L. Vigo, G. F. D'Anna, D. V. Parikh 4:15—27. Enhancement of wettability of greige cotton fabric by combined enzyme/ ultrasound treatment. V. G. Yachmenev, E. J. Blanchard, A. H. Lambert

MONDAY MORNING Section A Convention Center Room 11A Anselme Payen Award Symposium Cellulose

T. P. Schultz, Presiding 8:30—28. Molten salts as cellulose solvents. S. Fischer, H. Leipner, J. Simonsen, E. Brendler, W. Voigt 9:00—29. Cellulose solvent system N,Ndimethylacetamide/LiCI revisited: The ef fect of water, physicochemical properties, and chemical stability. A. Potthast, T. Rosenau, T. Rôder, H. Sixta, P. Kosma 9:30—30. Novel approach to the surface chemical modification of cellulosic fibers. A. Gandini, V. Botaro, E. Zeno 10:00—Intermission. 10:15—31. Significance of esterases in the degradation of wood polysaccharides. J. Puis, C. Altaner, B. Saake 10:45—32. Engineering paper as a composite and an interphase. G. B. D. Gamier 11:15—33. Hydrophobicization of cotton fibers by reaction with fatty acids : The emulsion method. C. Vaca-Garcia, S. Girardeau, M. E. Borredon

P. Gatenholm, Presiding 1:00—14. Reactions of polyflavanoids: A re view. R. W. Hemingway 1:30—15. Lignin modification for improved pulping, bleaching, and paper properties. D. R. Dimmel, J. J. MacKay 2:00—16. Fractionation of hybrid poplar us ing a novel organosolv process. D. K. Johnson, S. K. Black, M. D. Myers 2:30—17. On the presence of hydroquinone and p-quinone units in native lignin. U. P. Agarwal 3:00—Intermission. 3:15—18. Alkylated kraft lignin-based ther moplastics. Y. Li, S. Sarkanen 3:45—19. Lignin/synthetic polymer blends: Effect of blend miscibility on polymer prop erties. J. F. Kadla, S. Kubo, R. D. Gilbert, R. A. Venditti 4:15—20. Preparation of lignin gels with amphiphilicity from acetic acid lignin. Y. Uraki, M. Nishida, Y. Sano

Section Β Convention Center Room 11Β Surface Properties of Natural Fibers

I. R. Hardin, Presiding 8:00—34. Surface characterization of cellulo sic materials with XPS. L-S. Johansson, J. M. Campbell, P. Stenius, J. Pere, J. Buchert 8:30—35. HR/MAS NMR characterization of cellulose crystal surface modifications. M. Grunert, D. Bhattacharya, H. Hu, W. T. Winter 9:00—36. Direct dyes as molecular sensors to characterize cellulose substrates. M. K. Inglesby, S. H. Zeronian

S. S. Kelley, T. G. Rials, G. B. D. Gamier, Organizers G. B. D. Gamier, Presiding 8:30—1. Effect of system variables on the kinetics and products of the alkaline oxidative degradation of vanillin and related compounds. R. A. Northey, D. C. Zhang

84

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M A R C H 5. 2 0 0 1


HTTP: / / P U B S . ACS.ORG/CEN

9:30—37. Effect of surface blocking on the physical properties of durable presstreated cotton fabric. G. C. Lickfield, M. J. Drews, N. Feng, O. T. Mefford 10:00—Intermission. 10:15—38. Plasma-induced surface modifi cation of polysaccharides-grafting and im mobilization of enzymes. F. S. Denes, S. O. Manolache, Y. Ma, A. D. J. MartinezGomez, R. A. Young, M. Sarmadi 10:45—39. Starch-fiber adhesion in baked starch-based foam composites. G. A. R. Nobes, W. J. Orts, G. M. Glenn 11:15—40. Influence of textile auxiliaries in the processing of cotton with cellulases. J. Andreaus, L. Zilz, N. Budag, M. Scharf, A. Cavaco-Paulo

MONDAY AFTERNOON Section A Convention Center Room 11A Anselme Payen Award Symposium Cellulose

C. E. Frazier, Presiding 1:00—41. Review of 2-D NMR techniques and results with cellulose ethers. N. D. Sachinvala, K. Maskos, W. P. Niemczura, T. L. Vigo, N. R. Bertoniere 1:30—42. Regioselective synthesis based on cellulose sulfonates. D. O. Klemm, G. Siegmund, J. Tiller 2:00—43. Monolayer of O-alkylcellulose ethers having controlled distribution of substituents. T. Kondo, W. Kasai, S. Kuga, J. Magoshi 2:30—44. Chiral nematic films based on (ethyl)cellulose. D. G. Gray, S. Shimamoto 3:00—Intermission. 3:15—45. New synthesis paths for cellulose esterification. T. J. Heinze, T. F. Liebert, D. Graebner 3:45—46. Synthesis of long-chain esters of cellulose via sulfonated polystyrene catal ysis. K. J. Edgar 4:15—47. Triacetylcyclodextrin complexes as polymer additives for cellulose ester thermoplastics. C. M. Buchanan, D. Tindall, M. D. Wood, J. Szejtli, L. Szente

Section Β Convention Center Room 11B Surface Properties of Natural Fibers

T. J. Elder, Presiding 1:00—48. Absorption of yellowing inhibitors on mechanical pulp. G. B. D. Gamier, T. G. M. van de Ven, K. Saint-Cyr 1:30—49. Effect of refining on the surface characteristics of loblolly pine fibers. T. G. Rials, L. H. Groom, W. Tze, D. J. Gardner, R. Snell 2:00—50. Surface modification and proper ties of lignocellulosic fibers. P. Gatenholm, Â. Henriksson, J. Karlsson, F. Gellerstedt 2:30—51. Surface energy and acid-base properties of wood particles coated with styrene/acrylic acid copolymers. D. J. Gardner, M. Walinder 3:00—Intermission.

A Catalysis •


•


3:15—52. Surface characterization of lignocellulosics for composite applications. A. Iyer, Β. Μ. Gatewood 3:45—53. Comparative chemistry studies of enzymatically and photochemically poly merized lignin model compounds. M. Micic, S. Mello, G. Sui, K. Radotic, M. Jeremic 4:15—54. Quantitative comparison of the capillary and noncapillary absorption abili ty of wood by FT-Raman spectroscopy and spontaneous liquid penetration. Q. Shen Sr., L. Ciovica, J. B. Rosenholm 5:00—Division Business Meeting. M O N D A Y EVENING Convention Center Sails Pavilion Sci-Mix

K. J. Edgar, Organizer 8:00-10:00 55. Study of the peculiarities of callose me tabolism regulation in plant cells. A. Zabotin, T. Barisheva, O. Trophimova, V. Lozovaya 56. Biopreparation of cotton. E. Csiszar, A. Losonczi, G. Szakacs, I. Rusznak 57. Proteases to increase the usability of coarse wool fibers by softening and shrinkproofing. M. Hartzell-Lawson, M. Dinger 58. Basic investigation for novel application of alginic acid. A. Ikeda, A. Takemura, H. Ono 59. Behavior of cellulose in inorganic molten salts. H. Leipner, S. Fischer, E. Brendler, W. Voigt 60. Withdrawn. 61. Characterization of the supermolecular structure of nematic ordered cellulose us ing deuteration and FTIR. Y. Hishikawa, E. Togawa, T. Kondo 62. Electrochemical pulp delignification. N. Hampp, H-C. Kim, M. Mickel 63. Facile preparation of cellulose poly morphs from nematic ordered cellulose. E. Togawa, T. Kondo 64. FT Raman spectroscopy for detecting the transformation of cellulose polymorphs. K. Schenzel, S. Fischer, H. Leipner 65. Interfacial phenomenon between adhesives and metal/paper surfaces. J. F. Kadla, M. K. Ramasubramanian, B. Uner 66. Mechanism of wetting and absorption on sized paper. H. Modaressi, G. B. D. Garnier 67. Mineralization of in vivo labeled pine lig nin by Phanerochaete magnoliae. M. Costa-Ferreira, A. Silva 68. Enzyme-catalyzed transesterification of vinyl ester on cellulose and its regioselectivity. J . Xie, Y-L. Hsieh 69. Monolayer structure of O-alkylcellulose ethers having controlled distribution of substituents. W. Kasai, T. Kondo, S. Kuga, J. Magoshi 70. Studies toward an accurate determina tion of carbonyl functions in cellulosic sub strates. T. Lange, J . Rohrling, A. Potthast, T. Rosenau, H. Sixta, P. Kosma 71. Study of the dynamics of extracellular matrix polysaccharides during cell suspen sion culture development. I. Larskaya, T. Barisheva, O. Trophimova, R. Gaynutdinov, A. Zabotin 72. Substituent effects on the synthesis of stereoregular polysaccharides by a ringopening polymerization. F. Nakatsubo, H. Kamitakahara, M. Karakawa, M. Hon 73. SuperReTan: Maximizing water quality and use of vegetable tannins in leather manufacture. G. W. McGraw, T. E. Heriihy, K. A. Krauss, T. Volante, R. W. Hem ingway 29. See previous listing.


X Medicinal & Pharmaceutical

Anselme Payen Award Symposium Biomaterials


^

Presidential Series


TUESDAY AFTERNOON Convention Center Room 11A Anselme Payen Award Symposium

T. G. Rials, Presiding 1:30—81. Fundamental delignification chemistry of laccase-mediator systems on highlignin content kraft pulps: A synopsis of key contributions. F. S. Chakar, A. J. Ragauskas 2:00—82. In vitro formation of PHB granules: Experimental results and modeling predictions. R. H. Marchessault, G. A. R. Nobes, L. Jurasek 2:30—83. Cellulose structure and biosynthesis: New insights. R. M. Brown Jr. 3:00—Intermission. 3:15—84. Hierarchical structure of plant cell walls: An exploration of the relationship between biogenesis and structure. R. H. Atalla 3:45—85. Chemistry of biobased materials from wood. W. G. Glasser

Section A Convention Center Room 11A M Recent Developments in the Chemistry of Wood Degradation and Preservation Biochemistry of Fungal, Termite, and Marine Borer Degradation of Wood

T. P. Schultz, B. Goodell, D. Nicholas, Organizers D. Nicholas, Presiding 8:25—Introductory Remarks. 8:30—86. Overview of white rot research: Where we are today. K. Messner 9:00—87. Microview of wood under deterioration. G. Daniel 9:30—88. Cellulose degradation by marine shipworms. D. L. Distel 10:00—Intermission. 10:15—89. Termite physiology in relation to wood degradation and termite control. J. K. Grace 10:45—90. Overview of brown rots and nonenzymatic mechanisms. B. Goodell 11:15—91. Novel enzymes for pulp and paper processing. T. W. Jeffries, W. R. Kenealy

T. Heinze, Presiding 8:00—74. Synthesis and characterization of chitosan/poly(acrylic acid) polyelectrolyte complex. T. T. Nge, N. Hori, A. Takemu ra, H. Ono

Section Β Convention Center Room 11B Plant Polysaccharides Cosponsored with Division of Carbohydrate Chemistry

D. Mohnen, K. Dhugga, Organizers A. G. Darvill, Presiding 8:25—Introductory Remarks. 8:30—92. Plant primary cell wall pectic poly saccharides. A. G. Darvill, M. O'Neill, P. Albersheim 9:00—93. Biosynthesis of the plant cell wall pectic polysaccharide homogalacturonan. D. Mohnen, J. Sterling 9:30—94. Approaches to understanding the functional architecture of plant cell walls. M. C. McCann 10:00—Intermission. 10:15—95. Determination of factors control ling xylan solubility and association. B. Saake, D. G robe Kathôfer, T. Kruse, J. Puis 10:45—96. More evidence that oligosaccharins are present in their active forms in plants in vivo. O. Zabotina, O. Gurjanov, D. Ayupova, N. Ibragimova, Z. Fedina, T. Toroshina, A. Zabotin 11:15—97. Synthetic genes for the elucidation of O-glycosylation codes. M. J . Kieliszewski

WEDNESDAY AFTERNOON Section A Convention Center Room 11A M Recent Developments in the Chemistry of Wood Degradation and Preservation Wood Deterioration Mechanisms: Metals, Free Radicals, and Mediators B. Goodell,

WEDNESDAY MORNING

TUESDAY MORNING

M Materials

•

8:30—75. Modifications of chitin and poten tial applications in relation with interaction with small molecules. M. Rinaudo, R. Auzely, J. Desbrières 9:00—76. Cellulose nanocrystals: Properties and potential applications. W. T. Winter, A. J. Stipanovic 9:30—77. Cellulosic biocomposites for automotive applications. P. Gatenholm 10:00—Intermission. 10:15—78. Structure and properties of wood/ polyolefin composites. T. G. Rials, M. P. Wolcott 10:45—79. Molecular correlations to wood performance using CP/MAS NMR. C. E. Frazier, J. Ni 11:15—80. Improved gravimetric analyses of cellulose in eucalypt woods. A. F. A. Wallis, A. I. Hibberd, L. R. Schimleck, R. H. Wearne, P. J. Wright


Presiding

1:30—98. Free-radical chemistry as related to degradative mechanisms. B. Halllwell 2:00—99. Free-radical reactions of wooddegrading fungi. S. D. Aust 2:30—100. Role of enzymes and mediators in lignocellulose degradation. K. Li 3:00—Intermission. 3:15—101. Molecular and spectroscopic insights into the chemistry of lignin and cellulose degradation in wood. T. R. Filley 3:45—102. Glycopeptide reactions. A. Enoki 4:15—103. Lignin degradation by ironreducing compounds as a potential model for fungal wood degradation systems. J. Rodriguez, C. Parra, D. Contreras, A. C. Ferraz, J. Baeza, J. Freer

Section Β Convention Center Room 11Β Plant Polysaccharides Cosponsored with Division of Carbohydrate Chemistry J . F. Robyt,

Presiding

1:00—104. Arabinogalactan proteins: Struc ture, function, and industrial uses. A. Bacic 1:30—105. Lipid components of arabinoga lactan proteins and gum arabic. E. A. Nothnagel, M. P. Yadav 2:00—106. CesA genes and their role in cel lulose synthesis. D. P. Delmer, L. Peng, M. Doblin, P. Hogan, D. Jacob-Wilk, R. Eshed 2:30—107. Genetic dissection of arabidopsis cell wall biogenesis. C. Somerville, T. Richmond, J. Sedbrook, D. Bonetta, M. Facette 3:00—Intermission. 3:15—108. Assembling the starch granule. A. M. Smith 3:45—109. Mechanisms involved in starch biosynthesis. J. F. Robyt 4:15—110. Branch structures of maize amylopectins and their relationships with phys ical properties. J-L Jane, K-S. Wong, K-L. Chew, P-W. Leu

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Section Β Section A

Convention Center Room 11A H Recent Developments in the Chemistry of Wood Degradation and Preservation Methods of Detecting Wood Decay and Identifying Causal Microorganisms

T. P. Schultz, Presiding 8:25—Introductory Remarks. 8:30—111. Use of near-IR and MBMS for detecting the chemical changes associated with brown rot biodégradation of spruce wood. S. S. Kelley, J. Jellison, B. Goodell 9:00—112. Detecting and identifying wood decay fungi using DNA analysis. J. Jellison, C. Jasalavich, A. Ostrofsky 9:30—113. Detecting decay by immunodiagnosis. C. A. Clausen 10:00—Intermission. 10:15—114. Use of fatty acid profiles to identify wood decay fungi. S. V. Diehl, F. M. Shmulsky, M. L. Prewitt 10:45—115. Molecular approaches to termite biology and control. C. Husseneder, E. L. Vargo, J. K. Grace 11:15—116. Synchrotron methods for detecting decay. B. Illman

Convention Center Room 11Β Industrial Applications of Plant Polysaccharides Cosponsored with Division of Carbohydrate Chemistry

K. J. Edgar, Presiding 1:30—128. Flour hemicelluloses: Role of arabinoxylans in batter viscosity. R. J. Redg well, M. Fischer, J-H. De Michieli, S. Reymond, D. Sieved, P. Nicolas 2:00—129. Glucoronoxylans: Key in biomimicking plant cell wall assembly. P. Gatenholm, W. Glasser, M. Gustavsson, Â. Henriksson, M. Jacobsson, J. Roubroeks 2:30—130. Advanced chemicals from sustainable resources: An enzymatic-chemical process for the isolation of an arabinoxylan from corn fiber. C. M. Buchanan, N. L. Buchanan, J. S. Debenham, M. C. Shelton, M. Visneski, M. D. Wood 3:00—Intermission. 3:15—131. Chemically modified hydrocolloids as emulsifying agents. F. M. Ward 3:45—132. Starch: Granules, molecules, and utilization. H. F. Zobel

CHED

Industrial Applications of Plant Polysaccharides Cosponsored with Division of Carbohydrate Chemistry

K. Dhugga, D. Dhugga, Presiding 8:30—117. Structure-functionality of pectin and pectolytic enzymes. J. D. Mikkelsen, T. M. I. E. Christensen 9:00—118. Pectic and hemicellulosic poly saccharides in cocoa beans: Structure and function during bean processing. R. J. Redgwell, V. Trovato, D. Curti, J. Wang, P. Ducret, C. E. Hansen 9:30—119. Commercial potential of enzymatically modified pectin. A. T. Hotchkiss Jr., B. J. Savary, A. K. White, P. L. Rock well, H. K. Chau, D. R. Coffin, M. L. Fishman 10:00—Intermission. 10:15—120. Enzymes in corn fiber saccharification. B. C. Saha 10:45—121. Functional genomics approach to maize cell wall biochemistry. S. R. Thom as, E. W. Vollbrecht, R. Meglen 11:15—122. Metabolic engineering in maize: The use of maize grain for the production of novel polymers. S. E. Nichols, T. Wang, J. G. Dong, S. Zhang, J. Ranch

THURSDAY AFTERNOON Section A Convention Center Room 11A M Recent Developments in the Chemistry of Wood Degradation and Preservation New Concepts in Developing Environmentally Benign Wood Preservatives and Test Methods B. Illman,

Presiding

1:30—123. Role of synergism in the develop ment of new wood preservatives. T. P. Schultz, D. Nicholas 2:00—124. Protection of wood using formu lated biocide products. L. E. Leightley 2:30—125. Targeted wood preservatives. F. Green III 3:00—Intermission. 3:15—126. Development of accelerated methods for evaluating wood preserva tives. D. Nicholas 3:45—127. How understanding the mecha nisms that cause wood biodégradation is beneficial in wood preservation developments. A. F. Preston

Radiation, Health, and Safety: Myth and Reality (see Division of Nuclear Chemistry & Technology, Sun, Mon, page 143) ACS Award for Encouraging Disadvantaged Students into Careers in the Chemical Sciences (see Division of Organic Chemistry, Wed, page 151) Women in Organic Chemistry (see Division of Organic Chemistry, Mon, page 148) Chemistry Career Changes: Planned and Unplanned (see Division of Professional Relations, Tue, page 175) Chemistry in WWII and Immediate Postwar Period (1939-1957) (see Division of the History of Chemistry, Mon, page 120) Chemistry in Theme Parks (see Society Committee on Education, page 68)

Section Β Convention Center Room 11B

Nuclear Chemistry: The First Hundred Years—Science, People, and Politics (see Division of Nuclear Chemistry & Technology, Sun, Mon, page 142)

DIVISION OF CHEMICAL EDUCATION M. Z. Hoffman, Program Chair

Eminent Scientist Lecture (see Society Committee on Education, page 68) Extraterrestrial Chemistry (see Society Committee on Education, Sun, page 68) Green Chemistry: Ethics (see Society Committee on Education, Tue, page 68) Visions of the Future: How Do We Get There? (see Women Chemists Committee, Sun, page 68)

OTHER SYMPOSIA OF INTEREST: Chemical Careers in a Global Context (see Presidential Event, Mon, page 68) Professional Chemists and Certification (see Presidential Event, Tue, page 68)

Women in the Chemical Workforce (see Women Chemists Committee, Mon, page 69) SOCIAL EVENTS: Social Hour, Sun, Sat Dinner, Sat Luncheon, Mon, Tue

SUNDAY MORNING Section A San Diego Marriott Marina D

Safety Issues in Combinatorial Chemistry (see Division of Chemical Health & Safety, Tue, page 98)

Teaching Environmental Chemistry in the New Century Cosponsored with Division of Environmental Chemistry

Winning Approaches to Chemical Safety on the Web (see Division of Chemical Health & Safety, Wed, page

M. M. Cooper, A. W. Elzerman, C. M. Lee, Organizers C M . Lee, Presiding

Visualizing Chemistry: Using Animations, Graphics, and Modeling to Teach Chemistry (see Division of Computers in Chemistry, Wed, page 110) TAGs, TECH, and Student Affiliates: The Start of a Beautiful Friendship (see Division of Chemical Technicians, Wed, page 99) Joe Breen Undergraduate Poster Session in Green Chemistry (see Division of Industrial & Engineering Chemistry, Sun, page 112)

8:45—Introductory Remarks. A. W. Elzerman 8:50—1. EnviroChemLibrary: Resources for teaching and learning in science. M. M. Cooper, C. Lee, A. W. Elzerman 9:10—2. Fun and technically challenging experiments for analytical environmental chemistry. S. A. Mabury 9:30—3. Relationships between suspended solids, total dissolved solids, conductivity, turbidity, ionic strength, and activity illustrated in a laboratory exercise. M. E. Newman 9:50—4. Environmental analytical chemistry laboratory: An introduction to environmental site characterization. K. Neely, K. A. Givler, M. B. Bailey, C. D. Kober, R. L. Phillips, M. A. Smiglewski, M. V. Lauretta, J. S. Cohen, R. D. Foust Jr. 10:10—Intermission.


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Writing in the Discipline: Chemistry Literacy and Beyond

E-W. Chang, C. M. Muzzi, Organizers E-W. Chang, Presiding 8:45—Introductory Remarks. 8:55—9. Calibrated peer review: A writing and critical thinking instructional tool. A. A. Russell, O. L. Chapman 9:15—10. Using writing to enhance the un dergraduate research experience. A. R. Bressette, G. W. Breton 9:35—11. Incorporating writing throughout the chemistry curriculum. A. S. Wallner, E. Latosi-Sawin 9:55—12. Handwritten computer assign ments: New technology meets old technol ogy. J. R. Appling 10:15—Intermission. 10:25—13. How can the physical chemistry laboratory satisfy a writing requirement? T. Longin, J. Selco 10:45—14. Creating writing assignments for science courses. J. B. Easter 11:05—15. On-line journal for student sub missions: The ultimate peer pressure. K. Stone 11:25—16. Writing intensive advanced or ganic chemistry at Rowan University. R. J. Newland

Section C San Diego Marriott Delmar Teaching Organic Chemistry in the New Century Cosponsored with Division of Organic Chemistry

S. M. Schelble, Presiding

Handbook of Chemical Safety (see Division of Chemical Health & Safety, Sun, Mon, page 97)

Web-Based Information Sources (see Division of Chemical Information, Sun, page 98)

Section Β San Diego Marriott Cardiff

C. A. Kingsbury, S. M. Schelble, Organizers

BUSINESS MEETING: Tue Developing Training Programs for Use in Academia and the Workplace (see Division of Chemical Health & Safety, Mon, page 97)

10:20—5. Service learning at Penn State, Fayette: Cleaning up of a local stream. N. Viswanathan, P. Stemple, J. Tremba 10:40—6. Field experiences using abandoned mine drainage remediation wetlands. C. L Fish 11:00—7. Greening. M. C. Cann 11:20—8. Teaching green/environmental chemistry at the beginning level for nonscience majors. S. E. Manahan

8:45—Introductory Remarks. 8:55—17. Bioorganic first: A new model for the college chemistry curriculum. I. D. Reingold 9:15—132. 657: A method for estimating tetrahedral bond angles. M. Blandino, E. Mc Nelis 9:35—19. Teaching organic chemistry on line. S. G. Smith 10:00—Intermission. 10:10—20. Impact of media technology on the future of publishing for organic chem istry. K. Peterson 10:30—21. Cooperative learning activities in organic chemistry courses. D. R. Kimbrough 10:50 —18. Investigation of the relationship between selected cognitive and noncognitive variables and achievement in sopho more organic chemistry. H. A. Lindsay 11:15—Panel Discussion. S. M. Schelble

SUNDAY AFTERNOON Section A San Diego Marriott Marina D Teaching Environmental Chemistry in the New Century Cosponsored with Division of Environmental Chemistry

M. M. Cooper, Presiding 1:20—23. EnviroLand 3.00: An interactive educational tool for the environmental sci ences. F. M. Dunnivant 1:40—24. Integrating environmental chemis try into undergraduate environmental engi neering education. R. A. Minear


2:00—25. What should a senior chemistry major know about the environment? W. F. Kinard 2:20—26. What can you do in one semes ter? V. P. Collins 2:40—27. Growing pains: Observations on starting a new environmental chemistry program at undergraduate institutions. M. E. Newman 3:00—Intermission. 3:10—28. Bringing environmental chemistry research into the classroom. C. M. Lee, M. M. Cooper, A. W. Elzerman 3:30—29. Utilization of equilibrium environ mental distribution and equilibrium speciation models for teaching environmental chemistry. A. W. Elzerman 3:50—30. Critical assessment of environ mental chemistry textbooks. F. M. Dunnivant 4:10—31. Incorporating nuclear and radiochemistry concepts into the environmental chemistry curriculum. S. B. Clark, W. F. Kinard 4:3fJ—32. Teaching environmental chemistry by the Web and by satellite. R. D. Foust Jr.

Section Β San Diego Marriott Cardiff Writing in the Discipline: Chemistry Literacy and Beyond C. M. Muzzi,

Presiding

1:30—Introductory Remarks. 1:40—33. Interdisciplinary writing and the chemistry curriculum at Saint Vincent. M. A. Fisher, C. L. Fish, D. Fish, S. Gravelle, A. Turner 2:00—34. Utilizing writing as a tool in teach ing introductory chemistry to nonscience majors. P. K. Kerrigan, S. E. Rudnick 2:2fJ—35. Creating opportunities for writing in general chemistry and nonmajors cours es. Ε. Τ. Bell-Loncella 2:40—Intermission. 2:50—36. Reading and writing in the honorslevel general chemistry course. M. Z. Hoffman, A. D. Crosby 3:10—37. Writing to learn chemistry. A. K. Hovland 3:30—38. Writing to learn: Student as text book author. I. J. Levy 3:50—39. Withdrawn.


C. A. Kingsbury, Presiding 1:30—Introductory Remarks. 1:40—40. Where do they get those ques tions? J. G. Macmillan 2:00—41. Integrated organic chemistry: An Olympian task? J. C. Williams Jr. 2:20—42. What happens when students try to bring their knowledge of organic chemistry into the inorganic course? G. M. Bodner 2:45—Intermission. 2:55—43. Importance of electrostatic effects in alkanes and other organic compounds. J. B. Levy

A Catalysis •


•


Ν Materials W Medicinal & Pharmaceutical •



HTTP://PUBS. ACS.ORG/CEN

3:15—44. Promoting representational com petence in organic chemistry. B. P. Cop pola 3:4fJ—45. Peer-led team learning in organic chemistry. J. A. Kampmeier, D. K. Wedegaertner, P. Varma-Nelson 4:00—Panel Discussion. C. A. Kingsbury

Section D San Diego Marriott Green Research in Chemical Education

S. E. Shadle, Organizer, Presiding 1:30—Introductory Remarks. 1:35—46. Distributed cognition: Theory and implications for chem ed research. M. B. Nakhleh 2:05—47. Conceptual changes in electro chemistry by general chemistry students. K. J . Smith, W. R. Robinson 2:35—48. Using the science-writing heuristic to promote conceptual understanding of equilibrium. J. A. Rudd II, T. J. Greenbowe, Β. Μ. Hand 3:05—Intermission. 3:15—49. Effects of participation in an openinquiry investigation in the general chemis try laboratory. R. A. Krystyniak, H. Heikkinen 3:45—50. Discovery videos: Assessment of the effectiveness of active learning by stu dents viewing digitally animated videos of descriptive inorganic lab experiments. G. Wulfsberg, L. Laroche, B. N. Young 4:15—51. One student's understanding of the laws of thermodynamics and the role of chemical reactions in calorimetry exper iments: A case study. T. J. Greenbowe, D. E. Meltzer

SUNDAY EVENING Convention Center Sails Pavilion General Poster Session

E. J. Pulliam, Organizer, Presiding 7:30-9:30 52. ACS meets the rest of the Western Hemi sphere. R. Tomkins, L. E. Garrison 53. Inside the Beltway: Views of CHED at the Washington ACS meeting. M. Z. Hoffman 54. Connections to chemistry: A conference for high school chemistry teachers spon sored by the Northeastern Section. R. Tanner, M. Z. Hoffman, D. I. Lewis 55. Service learning at the University of Washington Department of Chemistry. D. H. Wiegand, M. Harty 56. Incorporating service learning activities into the chemistry curricula. A. G. Potter, Y. Waguespack, R. Jesien, S. Lewis 57. Assessment of service learning out comes in a chemistry course for nonscience majors. K. McGrady 58. Teacher training through hands-on activ ities conducted in the local schools: A ser vice learning activity for future teachers. K. F. Schrum 59. Oklahoma teacher education collabora tive two-year college project. Ε. Μ. Wal lace, B. Howard 60. Mid-Mississippi middle schoolers at Millsaps College. J-M. Whitfield, T. J. Ward 61. Chemistry and the Math Options out reach program at Penn State University, Beaver. J. M. Simpson, R. G. Simpson 62. On-line continuing education for middlelevel science teachers. J. R. Burdge, H. W. Richter 63. Write chemistry songs? A national con test. L. J. Jones 64. Holy molee chemistry. L. J. Jones 65. On-line high school course with a college background. W. K. Grindstaff, S. Grindstaff, A. Kincheloe 66. Environmental chemistry for nonscience majors using ChemConnections modules. R. R. Henderson, B. W. Moores 67. Incorporating novel materials chemistry into the curriculum. K. J. Nordell, A. B. El lis, G. C. Lisensky, S. M. Condren 68. Ma Pearl's oatmeal soap: Country chem istry in the laboratory. I. J. Levy 69. Withdrawn. 70. Student response to use of an interactive nutrition database in a general chemistry course. J. Diamond

71. Adjectives of chemistry: The importance of chemical descriptors in student under standing of acid/base concepts. C. E. MacGowan 72. Does the use of activities help students to learn general chemistry? L. G. Hartshorn 73. Learning styles, classroom, environment, and grades in general chemistry in a tech nical setting. G. W. Robinson 74. Analysis of vital attributes of multiplechoice tests. M. Miguez, S. Loureiro, M. Rodriguez Ayan 75. Design of multiple-choice tests for under graduate chemistry students. M. Rodrigu ez Ayan, S. Loureiro, M. Miguez 76. Common exams in a multiple-section large university general chemistry course. S. T. Phillips, A. K. List 77. Project ChemBOND: Innovations for im proving student performance and retention in general chemistry. J. E. Haky, D. W. Louda, N. Romance, C. E. Carraher Jr., R. Bleicher, B. Aukszi 78. Project ChemBOND: BONDing session activities. J. E. Haky, D. Chamely, D. W. Louda, D. Snedden, L. Parker, N. Ro mance 79. Project ChemBOND: Integrated and meaningful laboratory exercises in general chemistry. D. W. Louda, J. E. Haky, B. Aukszi, C. E. Carraher Jr., N. Romance 80. Peer mentoring through the use of stu dent laboratory assistants/tutors. S. L. Hiley 81. Teaching honors general chemistry with literature supplements and a researchbased laboratory. W. E. Lynch 82. Expository vs. inquiry: Curriculum reform in the general chemistry laboratory. R. M. Hulet Kelly 83. Web-based laboratory reports in general chemistry. J. A. Bartz, G. A. McClellan, J. J. Richardson 84. Development and implementation of a qualitative or quantitative determination of the spectrochemical series laboratory ex periment. A. L. Jansma, D. R. Mulford 85. Microscale quantitative analysis of hardwater samples using an indirect potassium permanganate redox titration. J. N. Rich ardson, M. T. Stauffer, J. Henry 86. Instrumental analysis feedback approach to student preparation of solutions in quantitative analysis lab. N. I. Kakolesha, V. L. Mattie, J. M. Bonicamp 87. When stoichiometry is not enough: Studying incomplete combustion. J. H. MacNeil, L. J. Volaric 88. Introducing spreadsheeting and graphing in the first-year chemistry laboratory. Κ. Ε. Hyde, L. A. Fuller 89. Dynamic visualization in chemistry: Twin ning of crystals. R. Morgan, J. P. Birk 90. Efficacy of SMV: Chem software for en hancing visualization skills. J. W. Russell 91. Experiences in Web teaching: Platforms and experiences in and out of class. M. D. Johnston Jr. 92. Modeling in various environmental chem istry courses and research projects using spreadsheets. J. R. Locker, L. A. Sher man 93. Organic chemistry for prehealth students. L. Blau, D. Estes 94. Teaching organic chemistry at the under graduate level. E. Leyva, S. Leyva, E. Monreal 95. Mixing it up: The benefits of instructional variety in an organic chemistry course. L. C. Harvey 96. Experiences in a lectureless organic classroom. W. G. Hollis 97. Reasoning through introductory organic chemistry in groups by focusing on elec tron energies. R. D. Libby 98. Two-cycle organic chemistry at Millikin University. G. Bennett 99. ACS organic exams: More treasure from the trove. R. J. Wikholm 100. When students become teachers: Using cooperative learning in organic chemistry lab. L. Volaric

101. Instrumental analysis in the organic lab: Microscale preparation and GC/MS analy sis of deuterated butyl and ethyl acetates. L. R. Smith, H. Zahedkargaran 102. Gasoline analysis: An introductory or ganic chemistry experiment. J. A. Rynd 103. Catalytic transfer hydrogénation in the undergraduate organic laboratory. A. M. Schoffstall, S. J. Coleman 104. Isolation, purification, and structure determination of (+)-pulegone from the essential oil of pennyroyal, Mentha pulegium: A project for the advanced organic lab. L. G. French 105. SISTAR grant program at Saint Mary's College: A model for collaborative research at an undergraduate institution. C. J. Dunlap 106. Using the ACS learning module on copyright: A personal perspective. S. S. Zimmerman 107. Legal dilemma: When student analytical results encounter the law. M. M. Strait, J. E. Howe, M. S. Piper 108. Waste treatment: A good opportunity to teach green chemistry. R. C. C. M. Micaroni, M. I. M. S. Bueno, E. R. P. Filho, M. A. Z. Arruda, W. F. Jardim 109. Ph.D. program in cyberspace. L. Hu 110. Distance learning and evaluation of physical chemistry on-line modules: What have we learned? M. H. Towns, L. Slocum, E. L. Harvey, L. S. Lever, G. R. Long, M. S. Reeves, D. Sauder, G. M. Shalhoub, G. C. Weaver, D. M. Whisnant, T. J. Zielinski 111. Correlational research of students' attainment patterns in physical chemistry. M. Rodriguez Ayan 112. Undergraduate phytochemical research. L. D. Pedersen 113. Modeling a molecular stop sign: The lac repressor and its complexes with DNA. R. S. Hickok, T. Herman 114. Free energy and the hydrophobic effect: A biophysical chemistry laboratory. J. M. Serafin 115. 1,5-Cyclooctadiene complexes of iridium: Synthesis, characterization, and reaction with dihydrogen. M. Wicholas, J. W. Logan 116. Teaching inorganic chemistry with the Keller Plan. A. J. Shusterman 117. Castor oil derivatives: Effect on lubricant performance. L. R. Rudnick, J. Morehouse 118. Coupling of diazonium salts from anilines substituted with β-naphthol. E. S. Santos, E. G. Lejarazo, I. G. Gavilan 119. Comparative study of several oxidants to obtain cyclohexanone from cyclohexanol. I. G. Gavilan, E. G. Lejarazo, E. S. Santos Chemistry Survival Guide cosponsored with Society Committee on Education (see page 68)

MONDAY MORNING Section A San Diego Marriott Marina D Chemical Dynamics at the Turn of the New Century: Nobel Laureates Look Back and Ahead Cosponsored with Division of Physical Chemistry

J. Van Houten, Organizer, Presiding 9:00—Introductory Remarks. 9:05—120. Review of the one-hundred-year history of Nobel Prizes in chemical dynam ics. J. Van Houten 9:25—Remarks on the Nobel centenary. A. Pavlath, S. Forsen 9:45—121. What is life? M. Eigen 10:30—Intermission. 10:40—122. Thirty-five years of molecularbeam chemical dynamics: A personal ac count. Y. T. Lee


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Section Ε

San Diego Marriott Cardiff


Chemical Education at the U.SVMexico Interface

Undergraduate Research Posters

Ζ. Μ. Lerman, Presiding 8:30—Introductory Remarks. 8:40—123. U.S./Mexico collaboration on chemical education (and basic chemical engineering). J. Noriega Bernechea 9:20—124. What is the U.S.-Mexico Founda tion for Science and what does it do? E. L. Eliel 10:00—Intermission. 10:10—125. Picture of the Mexican educa tional system and areas of cooperation be tween educators in the United States with their Mexican counterparts. L C. Hall 10:35—126. One philosophy in two coun tries: Common ground, common programs between longtime friends. P. B. Kelter, C. M. Castro-Acuna, R. E. DominguezDanache 11:15—Panel Discussion.


S. M. Schelble, Presiding 8:30—Introductory Remarks. 8:40—127. Digital organic lab simulator: Use and overview. B. F. Woodfield, M. B. Andrus 9:00—128. Digital organic lab simulator: Re actions and reagents. M. B. Andrus, B. F. Woodfield 9:20—129. Use of molecular modeling in teaching organic and organometallic chemistry. G. O. Spessard 9:45—Intermission. 9:55—130. Semiconducting polymers for multidisciplinary education. K. Kingsbury, D. Braun, L. Vanasupa 10:15—131. Structure: Intermolecular forces and solubility. P. J. Seaton, A. Mitra 10:35 —22. Philosophy, pedagogy, and tax onomy of news-media-based authentic learning activities. R. E. Glaser 10:55—133. Looking for students' knowledge structures in learning organic chemistry using The Knowledge Space Theory. M. Taagepera

Section D San Diego Marriott Green Research in Chemical Education

S. E. Shadle, Presiding 8:40—134. Concept maps: A tool for prob lem solving in chemistry. M. B. Nakhleh, J. S. Francisco, S. C. Nurrenbern, M. L. Mil ler, R. M. Jardine 9:10—135. Impact of making connections upon student learning. S. L. Bretz 9:40—136. Chemistry misconceptions of preservice chemistry teachers: What they think they know just before they teach. A. J. Phelps 10:10—Intermission. 10:20—137. Barriers and pathways to imple menting active student learning in the chemistry classroom: Case studies. K. A. Burke, T. J. Greenbowe 10:50—138. Development of pedagogical chemical knowledge in graduate teaching assistants. J. B. Robinson 11:20—139. Master-level programs in chem ical education. D. Mason, V. Williamson, D. R. Walker

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L. E. Garrison, Organizer, Presiding 10:30-12:30 Medicinal Chemistry 140. /V-(2-Naphthylmethyl) polyamine deriva tives are competitive inhibitors of trypanothione reductase and antitrypanosomal agents. M. W. Fennie, M. C. O'Sullivan, S. Jones, C. Bacchi 141. Assessment of the inhibition of trypanothione reductase and glutathione reduc tase by novel spermidine and spermine derivatives. M. Kobaslija, M. C. O'Sullivan 142. ATP- and BzATP-induced cell death in promyelocytic HL-60 cells. M. Dorrington, P. E. Vivas, F. A. Gonzalez 143. Bonding of mitomycin C and CC-1065 to DNA and chromatin. V. K. Dunlap, P. H. Draves 144. Characterization and precipitation of β-lactoglobulin using PEG and ethanol. V. Sharma, L. Moore, D. Kalonia 145. Effects of lutein on singlet oxygen pro duction in macular tissue. B. L. Jones 146. Evaluation of the inhibiton of rat liver glutathione-s-transferase by the glutathi one conjugate with 3-methyleneoxindole. H. Thomas, E. J. Brush 147. Free D-aspartic acid is reduced in Alzhe imer brain compared to normal human brain. Y. Reyes, T. Edwards, C. Stujenske, T. Mara, G. Fisher, F. Aniello, A. D'Aniello 148. Investigation of the effect of drying methods on the mechanism of drug re lease from microcrystalline cellulose beads. M. Bush, F. C. Mayville Jr. 149. Investigations of antioxidant properties of dietary supplements. R. F. McGill, C. C. Deibel, M. A. Deibel 150. Withdrawn. 151. Peptidomimetic-based inhibitors syn thetic schemes and QSAR-based studies. E. Macias, P. Tomboc, E. F. Healy 152. Pharmacokinetic comparison of two for mulations of a drug with low aqueous sol ubility. E. D. Gillies, S. E. Kern 153. Quantifying isoflavone levels in dietary supplements by HPLC. P. Luey, A. Tate, S. O'Shea 154. Structural determination of an MRI con trast agent. S. U. Dunham, G. Shelton 155. Structural studies of the SL4 region from human immunodeficiency virus type-1 PSI packaging signal. J. Mc Donald, G. Amarasinghe, J. Zhou, M. Rouse, M. Miskimon, M. Summers 156. Synthesis and study of a new class of antitubercular agents. M. J. Hearn, M. S. Terrot 157. Withdrawn. 158. Synthesis of carbocyclic 1,2,4-triazole nucleosides. S. Savage, S. Meyer, N. A. Van Draanen 159. Synthesis of δ-opioid agonists. L. Craft, J. C. DiCesare 160. Synthesis of ethyl-3-bromooxindoleacetate as a potential inhibitor of serine and thiol proteases. T. Iba, E. J. Brush 161. Synthesis of glutathione diester conju gates with 3-methyleneoxindole as poten tial prodrug inhibitors of anticancer target enzymes. S. J. Godin, J. Bowen, E. J. Brush 162. Synthesis of ionic liquids and their uses in typical organic reactions. F. Mattrey, F. C. Mayville Jr. 163. Synthesis of warfarin analogs to probe the active site of cytochrome P450-2C9. A. T. Wright, W. Trager, M. Tmka Organic Chemistry 164. Synthesis of 3,4-dicarbomethoxy-2cyano-5-arylpyrroles. F. Freeman, D. J. Kieu Lam 165. Synthesis of a,p-dichloro-p-nitrostyrene. K. Boss II 166. Synthesis of highly functionalized tetra hydropyrroles. F. Freeman, N. Tran 167. Role of nicotine in the pathogenesis of atherosclerosis. N. R. Williams 168. Ab initio study of carbocation intermedi ates in the biosynthesis of p-menthane monoterpenes. B. Samudio, R. E. LaFever, C. R. Kemnitz 169. 1 Η dynamic NMR study of 3,5-di-f-butyl1-oxa-3,5-diazacyclohexane. G. Lampert, J. H. Brown

170. 1 Η dynamic NMR study of 3,5-diethyl-1oxa-3,5-diazacyclohexane. K. Schwartz, J. H. Brown 1 7 1 . 1 H dynamic NMR study of 3,5diisopropyl-1 -oxa-3,5-diazacyclohexane. A. Oakland, J. H. Brown 172. 1 Η dynamic NMR study of 3,5-dimethyl1-oxa-3,5-diazacyclohexane. A. Theo bald, J. H. Brown 173. Absolute enthalpies of solvation of Cu + by acetonitrile determined by guided ionbeam tandem mass spectrometry and density functional theory. Μ. Τ. Rodgers, G. Vitale 174. Acid-promoted electrophilic aromatic substitution reactions in the formation of 1,2-diquaternary centers: An approach to the concise synthesis of (±)-cuparene and related natural products. N. Bizier, A. Brooks, B. P. Mundy, T. Poon 175. Addition homo-allyl nucleophiles to brigl anhydrides. B. E. Howard, J. Rainier 176. Addition of bromine chloride and iodine monochloride to carbonyl-conjugated, acetylenic ketones. D. M. Buczala, J. M. Wisenand, A. E. Chappell, V. L. Heasley 177. Alternative route to the key synthetic in termediate 6',7'-dimethoxy-2-nitro-1 phenylethanol in the synthesis of 3',4'dihydroxy-2-phenyl-2,3,4,5-tetrahydro[2,4]-benzoxazepine. T. M. Carroll II, T. A. Knoerzer 178. Alumina-supported potassium perman ganate oxidations of 1-octanol and 1-methyl-1-cyclohexene. C. E. Harris, J. L Mussman 179. Alumina-supported potassium perman ganate oxidations of 3-heptanol and 1-methyl-1-cyclohexene. C. E. Harris, B. J. Marquis 180. Expedient route to the fused tetracyclic 5-7-6-3 ring system of phorbol. S. E. Reisman, T. V. Ovaska 181. Analysis of hydrocarbons from hydriodic acid treated biomass. J. M. Robinson, L. D. Marrufo, M. U. Nzere, T. E. Rogers, J. M. Sadler 182. Analysis of pyrrolizidine alkaloids in two plants of the genus Lindelofia: L. anchusoides and L. longiflora. T. J. Hankins, J. L. Cuthbert, W. Peale, R. B. Kelley 183. Analysis of the major odorants found in the peel oil and juice of Citrus Clementine Hort. D. M. Cass Jr., J. A. Jell, M. G. Chisholm 184. Application of π-deficient heterocyclic sulfones toward synthesis of a-fluoro phosphonate esters. L. A. Bergolla, P. I. Garcia Jr., S. F. Wnuk 185. Asymmetric cyclization of ene-amines to pyrrolidines. S. W. Roberts, N. A. Van Draanen 186. Base and palladium-catalyzed 5-exo dig cyclization/Claisen rearrangement as a route to fused polycyclic ring systems. M. F. Bakaj, T. V. Ovaska 187. Blue/yellow/red: Thermal degradation of a fulgide yields 3-D memory candidate. J. M. Sullivan, W. L. Armstrong, M. C. Wells, W. J. Lees, M. A. Wolak 188. Carbene reactions of azirines. M. P. Seidel, J. O. Currie Jr. 189. Carbohydrate auxiliaries in hetero-DielsAlder reactions. S. P. Nichols, J. C. Di Cesare 190. Catalysis of cyclic carbonates from ep oxides and C 0 2 by cobalt(lll) porphyrins. J. M. McKay, R. L. Paddock, S. T. Nguy en 191. Catalytic transfer hydrogénation of cinnamyl alcohol. A. M. Schoffstall, S. J. Coleman 192. Chemical analysis of pyrrolizidine alkaloids isolated from Caccinia strigosa. A. J. Scott, S. P. Nord, J. S. Shirley, R. B. Kelley 193. Chemistry of 1,4-disubstituted-1,2,4triazolium ions and triazole carbenes. D. R. Haines, N. Siripong, A. C. Doran, Y. Lee, L. M. Wittenhagen 194. Comparing conformational behavior of Mosher amides. R. Lombard!, C. Parish


195. Comparison of ruthenium-based catalysts in a ring-closing metathesis reaction. J. Carter, J. Eakins, K. Kingsbury, L. Blasczcak 196. Conformational behavior of sterically hindered Kemp's molecules as models for tactic polyacids: A study using proton NMR and fluorescence spectroscopy. H. A. Lujan-Upton, D. Mangar, C. Grosanu 197. Cyclizations toward fused-ethers. F. C. Ai, S. P. Allwein, J. D. Rainier 198. Determination of the mechanism of quinoxaline formation. T. B. Clark, T. J. Dwyer 199. Developing methods toward the synthesis of precursors for anticancer drugs. R. W. Paschal, J. C. DiCesare 200. Development of a novel method for a-alkyl α-amino phosphonic acid synthe sis. W. P. Malachowski, K. M. Paolino 201. Dynamic NMR study of trifluorothioacetic acid. E. A. Noe, M. T. Stewart, D. M. Pawar, O. Horton 202. Effects of electron withdrawing group substitution on the photocleavage of a-(aryloxy)acetophenone derivatives. M. N. Higley, K. Benton, L. C. Harvey 203. Efforts toward asymmetric synthesis of quaternary carbon centers via intramolec ular Friedel-Crafts reactions. D. L. Waller, G. F. Majetich, M. Hargrove 204. Environmentally friendly nitration of sub stituted naphthalenes. S. A. Hughes, R. M. Fuller, H. E. Smith, V. J. Geisler 205. Enzymatic cleavages of ester aldol products. B. Patterson, S. Ludlum, N. A. Van Draanen 206. Forays into organodiboron chemistry. G. C. Schott Jr., T. J. Weismann 207. Formation and decomposition of 2-(2phenylethyl)-imidazoline. A. Abedini, R. Loeppky 208. Fractionation of biomass to polyols: Cat alyst and condition studies. J. M. Robin son, M. A. Bentley, C. E. Burgess, D. M. Lillard, E. H. Sanchez, J. T. Pon 209. Halogen and interhalogen reactions with 1tf,1H,7H-perfluoroheptene-1. D. F. Shellhamer, R. D. Allen 210. Halogen reactions with 4-bromo-1,1,2trifluorobutene-1. D. F. Shellhamer, C. M. Schlosser 211. Identification of new sesquiterpenes in African elephant temporal gland secre tions using SPME and GC/MS. T. E. Goodwin, W. R. Counts, R. A. Hughes, S. Schulz 212. Implementation of SPME and GC/MS to identify organic compounds in African ele phant urine. T. E. Goodwin, D. Mwanza, W. R. Counts, L. E. L. Rasmussen 213. Implementation of the titration of iron y/o zinc in an automatic titulator. M. Flores, G. Zapata, J. Rodriguez, L. Rojas 214. Improvements to the synthesis of polyhydroxylated pyrrolidines. L. J. Liotta, E. Leone, N. J. Greco 215. Incorporation of constrained c/s-proline dipeptides into larger peptides. R. J. Moreau, T. P. Curran 216. Interconversion of carbon sites in BCB cyclodecane. E. A. Noe, D. Moton, R. H. Sullivan, D. Cain, D. M. Pawar 217. Intramolecular Heck reactions of bromopyrroles. T. E. Goodwin, D. M. Szwedo, A. C. Blair, M. G. Banwell 218. Intramolecular reactions of a β-hydroxycarbene. R. A. Farlow, D. M. Thamattoor 219. Inverse demand [4+2] cycloaddition re actions of chiral allenamides. E. Mc Laughlin, R. P. Hsung 220. Investigation of reduction/oxidation mechanisms of benzoquinone mustards using cyclic voltammetry. M. E. Bourg, F. R. Hilgeman, F. S. Guziec Jr. 221. lodoketalization: A new double-bond functionalization reaction. Z. Nevérez, M. Mulero, J. A. Prieto 222. IR OH stretching band studies of methoxy and ethoxy alcohols in cyclohexane solution. J. D. Lewis, S. Lovorn, L. Mullins 223. Isolation and characterization of components from biologically active extracts of the fungus Cladosporium cladosporioides. J. W. McConnell, G. Belofsky, E. Levetin, J. A. Price III 224. Isolation and characterization of natural products from neuropharmacologically active extracts of Dalea purpurea. A. N. French, G. Belofsky, D. R. Wallace


225. Isolation and identification of pyrrolizidine alkaloids from Omphalodes verna. A-M. Robinson, M. M. Esser, R. B. Kelley 226. Kinetic studies of novel trifluoromethylsubstituted γ-silyl carbocations and their carbon analogs. S. J. Prévoir, L J. Tilley 227. Kinetic study of esterification reactions using horizontal attenuated total reflectance. K. Spencer, C. M. Utermoehlen, M. O. Killpack 228. Large-scale ring-closing metathesis synthesis of /V-Boc-3-pyrroline. M. L. Ferguson, D. J. O'Leary, R. H. Grubbs 229. Linden seed extraction and analysis. K. Baltazar, N. Gero, A. Yacoub, L. Stephens 230. Lithiated 4-phenyl-1,2,4,-triazoles and their reactions with electrophiles. D. R. Haines, T. J-T. Chen, A. Doran, L. Wittenhagen 231. Methods for the preparation of novel benzoquinone mustard derivatives. D. J. Fiterman, L. J. Guziec, A. Begleiter, F. S. Guziec Jr. 232. Microwave rotational spectroscopic analysis of dimethylselenenate. J. P. Papandrea, J. Z. Gillies, C. W. Gillies, E. Block 233. Mild efficient oxidation of secondary alcohols. L. C. DeSesso, S. N. Leang, J. H. Wynne 234. Model substrate for the Mitsunobu inversion reaction relevant to a projected synthesis of peloruside A. M. K. Smalley, T. R. Hoye, M. Tennakoon 235. Modeling the Evelyn effect. R. M. Anderson, J. O. Currie Jr. 236. Mosher amides: Temperaturedependent NMR studies. D. A. Allen, J. M. McKay, O. P. Priest 237. Mothballs to vanillin: An interesting multistep synthesis lab. N. Drapela, A. Vasquez, R. Aufort 238. Natural products from the desert plant Dalea versicolor with the potential to overcome antibiotic resistance. J. Ekart, G. Belofsky, K. Lewis, P. Hsiang, F. R. Stermitz 239. New method for quantifying antioxidant activity in wine. J. M. Simpson, Ε. Μ. Foley, J. Slak 240. New synthetic approaches toward pentacyclo[4.3.0.0 2 - 4 .0 3 - 8 .0 5 ' 7 ]non-4(5)ene. M. A. Forman, T. Booth, A. Gallo 241. NMR detection of intramolecular hydro gen bonds using isotopic perturbation techniques. T. E. Vasquez, D. J. O'Leary 242. NMR studies of hydrogen-bond net works. J. M. Bergset, D. J. O'Leary 243. NMR study of the internal hydrogen bonding in anils of salicylaldehyde. R. Eliason, M. Schultz 244. Novel supramolecular cage complex. D. Tahmassebi, C. Billstrom, Z. Sharrett, K. Clarke, T. Flatley, R. Politte 245. Nucleophilic aromatic substitutions on 3-bromo-4-phenyl-[1,2,4]-triazole to yield model adenosine analogs. M. S. Kosel, N. L. Kesek, D. R. Haines 246. One-pot synthesis of α,β-unsaturated esters from alcohols. L. Glover, A. R. Bressette 247. Optimization of the synthesis of Guerbet alcohols. Ο Μ. Baldwin, S. D. Mitchell 248. Organometallic mediated organic syn thesis: A reaction sequence for an ad vanced integrated laboratory. D. B. Ball, R. Wilson, J. Parks 249. Oxazaborolidines as functional mono mers. J. K. Sui, M. D. Price, M. J. Kurth, N. E. Schore

A Catalysis • Chemistry & Computers • Environmental Issues H Materials Ά' Medicinal & Pharmaceutical • Petroleum, Fuels & Related Chemistry ^ Presidential Series


250. Oxidation of secondary alcohols using microwave methodology. E. Mangione, L. Farber 251. Oxidation of trialkylboranes using alumina-supported potassium permanga nate: Conversion of terminal alkenes to boroic acids and alcohols. C. E. Harris, J. P. Eberhardt 252. Oxidation of trialkylboranes using alumina-supported potassium permanga nate: Conversion of internal alkenes to boronic acids and alcohols. Ο Ε. Harris, A. V. Bieliauskas 253. Partial rate factors for the nitration of 2-benzylpyridine. R. Eliason, J. Sternke, P. Carlsen 254. Pd-mediated isomerization and regioselectivityof5-vinyloxazolidinones.J.R.Lichtsinn, S. L. Peterson, S. Sankaranarayanan, P. S. Shanker, H. Yu, G. R. Cook 255. Pd(0)-catalyzed couplings toward po tentially chemotherapeutic retinoids. Β. Η. Lipshutz, D. B. Ball, L. Hegewisch 256. Photocyclization of a substituted dibenzoylbenzene. D. J. Crouse, A. K. McClendon, D. M. Hatch 257. Preparation of 2-(trimethylsilyl)methyl-1(/V,/V-dimethylamino)methylferrocene. M. A. Clymer, J. M. Ferguson 258. Preparation of 3-hydroxy-2-pyridinone chelators for the selective chelation of biomedically relevant cations. A. S. Gopalan, A. Olague, T. N. Lambert, S. Chittamuru 259. Preparation of novel thioamides. Κ. Υ. Chick, G. Medina, D. L. Neel, V. T. Nguy en, S. M. Schelble 260. Probing polyaniline/metal sensor selec tivity using gold/thiol interactions. D. W. Hatchett, M. Wilson, H. Sexton, R. Ruegner, L. McKinstry 261. Progress toward a new 1,8-naphthylbased chiral hypervalent iodine reagent. A. N. French, J. M. Jacobs, T. Wirth 262. Progress toward developing methods for the diastereoselective synthesis of imines. C. R. Richardson, J. C. DiCesare 263. Proposed photochemical mechanisms for organic and organometallic photochromic compounds. S. K. McCoy, J. C. Vickery 264. Putative quorum sensing metabolites produced by Emiliana huxleyi, a unicellular marine alga. P. Wade-Wohlin, J. A. Trischman, Τ. Μ. Wahlund 265. Rapid entry to all Ε-conjugated poly enes: A linchpin approach. Β. Η. Lipshutz, D. B. Ball, A. Lower 266. Rapid react IR method of monitoring es ter interchange catalysis. A. K. Taylor, R. M. Kissling, M. R. Gagné 267. Reaction of 4-phenyl-1,2,4-triazole with electrophiles: N-alkylation vs. C-alkylation. D. R. Haines, A. C. Doran, L. M. Wittenhagen 268. Ring-opening metathesis of heteroatom containing cycloadducts of cyclopentadiene. M. Ellis, S. B. King 269. Ritter reactions of alcohols and esters by solvolysis in formic acid. D. E. Lewis, G. C. Gullickson 270. Screening of plant extracts for neuropharmacological activity. S. L. Dodson, G. Belofsky, D. R. Wallace 271. Second-generation synthesis of silica gel anchored dendrimers. S. A. Henrie, J. K. Kropf 272. Selective deacetylation of carbohydrates using enzymes. W. Sutton, C. Quinn, M. Apostolidou, E. Kang, S. W. T. Choe 273. Selective reduction of a Iky I halides via titanium taddolate catalysis. L. C. Thompson, K. Knight 274. Selective ribosidation of 1,2,4-triazole. D. R. Haines, S. A. Chan, A. C. Doran, A. K. Larkin 275. Sodium azide: A mild and selective reagent for the cleavage of p-nitrobenzoic esters. M. T. Forrester, J. A. G. Vidal, R. B. Silverman 276. Solid-phase synthesis of an alanine surfactin analog. T. J. Hamai, A. Wood 277. Solution interactions of 1,2,4-triazolium ions with nucleophilic counterions. D. R. Haines, M. Chen, N. Siripong 278. Antiaromaticity of dialkyl-substituted fluorenylidene and indenylidene dications. J. L. Mynar, N. S. Mills, Ε. Ε. Burns 279. Solvent effects in the thiolate-disulfide exchange. S. M. Bachrach, J. L. Mynar

280. Steps toward novel poly(p-phenylenevinylene) derivatives: Synthesis of terephthalate esters and bis(hydroxymethyl)benzene precursors to 1,4-bis(chloromethyl)benzene monomers. L. S. Ostberg, M. A. Grimes, J. M. Crockett, E. M. Mitchell 281. Stereochemical studies of bicyclic ethers formed through cationic iodocyclization. C. J. Nichols, J. J. Parks 282. Studies directed toward the synthesis of eleutherobin. M. C. Mcintosh, T. G. Hargis 283. Studies on solid-phase synthesis of alkenyl ethers via the Takai reaction. B. Schultz, A. G. M. Barrett, U. Voigtmann, T. Arnauld 284. Substituent effects in 7-substitutedbicyclo[3.2.0]hept-2-ene systems as a mechanistic probe of the [1,3]-sigmatropic rearrangement. N. A. Strotman, P. A. Leber, C. M. Schlotterer 285. Synthesis and analysis of highly conju gated liquid-crystalline diphenylacetylene derivatives. F. M. Kimura, T. Wagerle, T. Crall, C-H. Lee, E. Scharrer 286. Synthesis and biological activity of α-hydroxyallenes. R. Wood O'Jon 287. Synthesis and characterization of 5-(mono 4-carboxyphenyl) 10,15,20 (triphenyl)porphyrin and 5-(mono 4-carboxy phenyl) 10,15,20-(tritolyl)porphyrin. A. O. Sieu, O. A. Hansburg, A. Shachter 288. Synthesis and characterization of a 12residue thiopeptide. A. K. Patel, N. Vivatrat, J. H. Miwa 289. Synthesis and evaluation of glutamatecontaining phosphonamidothionate inhibi tors of glutamate carboxypeptidase. C. J. Choy, A. Arrozal, A. R. Martinez, T. Girtsman, F. Ruado, C. E. Berkman 290. Synthesis and evaluation of model cy clic phosphonates as putative β-lactamase inhibitors. D. Neupane, P. Ly, C. E. Berkman 291. Synthesis and photolysis of 9-[(n5-cyclopentadienyl)dicarbonyl iron]-10-(phenylethenyOV-phenanthrene. L S. Simp son, Ν. Τ. Allison 292. Synthesis and reactions of 4-iodopentacyclo[4.3.0.02-4.03i8.05,7]nonane. M. A. Forman, C. Kelley, A. Gallo 293. Synthesis and reactivity of water-soluble dienes in Diels-Alder reactions. S. H. Towne, J. P. Lyssikatos, D. D. Von Riesen, S. K. O'Shea 294. Synthesis and spectral studies of fluorine-substituted tetraaryl porphyrins. H. E. Walker, J. L. Pomeroy, D. J. Swartling 295. Synthesis and study of polyhydroxylated pyrrolidines. J. M. Comita, L. Liotta 296. Synthesis of (+/-)-11-c/s-3-hydroxyretinal and studies directed toward enanti omeric resolution. D. R. Franck, N. Nesnas, K. Nakanishi 297. Synthesis of 2-methyl-3-trifluoromethylaniline. B. A. Schmid, Y. V. Kondratenko, R. M. Schwarz 298. Synthesis of 4,40-diguanidino-methylene 2,20-bipyridine as a potential ligand for phosphate and phosphonate ester binding and cleavage. H. L. Hillebrenner, R. P. Dixon 299. Synthesis of a building block for backbone-modified oligonucleosides. J. C. Leitzel, C. Smith, R. Glowinski 300. Synthesis of a hexadentate tetraamide ligand. E. S. Uffelman, G. C. Davis 301. Synthesis of a phosphonate DNA ana log: Probing the mechanism of the Bam HI endonuclease. R. Iha 302. Synthesis of a quinizarin cored dendrimer. K. E. Price, M. W. Thomsen 303. Synthesis of a resorcinarene-based metal-assembled deep-cavity cavitand. A. Fosse, R. G. Harrison 304. Synthesis of a serine protease inhibitor based on monocyclic β-lactams. W. P. Malachowski, L. A. Abrardo 305. Synthesis of a simplified compound possessing the biologically active function al groups of taxol. K. M. Schreck, D. Fish 306. Synthesis of a T4 lysozyme substrate. K. S. F. Lau, J. Hanson


307. Synthesis of acenaphthoporphyrins. P. J. Rauen, T. D. Lash 308. Synthesis of amphiphilic photoresponsive dendrons. D. V. McGrath, S. Sikder 309. Synthesis of an octa-substituted copper phthalocyanine monomer containing cinnamoyl moieties in each side chain. R. Singh, E. J. Osburn Atkinson 310. Synthesis of deuterium labeled com pounds. S. N. Mahapatro, M. A. Woltkamp, C. Nguyen 311. Synthesis of flavopereirine using the Westphal condensation. S. M. Bilyeu, G. D. Bennett 312. Synthesis of highly substituted indoles. M. H. Taday, A. R. Kennedy, J. D. Rainier 313. Synthesis of juglone using a "green" re agent. R. Eliason, C. Whipple, P. Carlsen 314. Synthesis of kainic acid analogs. K. Rein, L. Carcache, T. Podona 315. Synthesis of liquid-crystalline dipheny lacetylene derivatives. D. D. Young, M. Yoa, E. Scharrer 316. Synthesis of /V-acetyl-c/s-4-/V-alkylaminoprolines, potential β-turn templates. S. I. Bilimoria, T. P. Curran 317. Synthesis of new antimicrobial fatty ac ids. L R. Rivera, Ν. Μ. Carballeira 318. Synthesis of nitrogen heterocycles: Studies on the mechanism of nitrosative ring expansion. M. E. Pusey, F. J. Creegan 319. Synthesis of novel AMhiomethylated monocyclic β-lactams. A. L. Blum, M. I. Konaklieva, E. Turos 320. Synthesis of pentacyclo^.S.O.O2,4^3'8.05,7]non-4(5)-ene. M. A. Forman, E. Loutzenhiser, J. Stairs 321. Synthesis of peptides incorporating a constrained frans-proline dipeptide. Ε. Ε. Cavanagh, T. P. Curran 322. Synthesis of porphyrins with fused het erocyclic rings. S. M. Park, T. D. Lash 323. Synthesis of selected fluorophenylsubstituted β-lactams. A. Amry, E. A. Bak er, M. F. Rahman, M. I. Konaklieva, E. Tu ros 324. Synthesis of solid-phase catalysts for asymmetric alkylation. R. E. Ross, R. Polt 325. Synthesis of sulfonyl derivatives of glu tamic and 2-hydroxyglutaric acid as poten tial inhibitors of glutamate carboxypepti dase. T. A. Girtsman, C. J. Choy, C. E. Berkman 326. Synthesis of unnatural BPTI variants to study the cation-π interaction. L. E. Hall, A. McCurdy 327. Synthesis, characterization, and bioassay of novel elephant-derived sesquiter penes. T. E. Goodwin, R. A. Hughes, W. R. Counts, H. S. Riddle, S. W. Riddle, L. E. L. Rasmussen 328. Synthesis, characterization, and kinetics of N-substituted vinylpyridinium monomers and polymers. J. J. Thomas, C. Parish 329. Synthetic approaches to hexaoxa[6]peristylane and its derivatives. D. A. Otte, R. A. Farlow, S. B. Lovitz, D. M. Thamattoor 330. Synthetic approaches to N-substituted cage compounds for characterization by isotopic perturbation and NMR spectros copy. R. J. Howard, D. J. O'Leary 331. Synthetic route toward a C 48 fullerene fragment. J. P. Amara, L. T. Scott 332. Synthetic studies toward 1-amino-2nitrocyclopentanecarboxylic acid. R. T. Desmond, C. C. Smith 333. Synthesis of antifixed 7-methyl-1-bD-deoxyribofuranosyl-1H-imidazo[4,5-c]pyridin-4-ylamine. J. Nofar, J. S. Lucia 334. Thermal vs. photochemical MeTAD re actions. S. M. Perala, G. W. Breton 335. Thermolysis and synthesis of 3-methyl3-neopentyl-1,2-dioxetane: Activation pa rameters and chemiexcitation yields. C. J. Sapp 336. Toward polymeric anticancer drug cock tails from ring-opening metathesis poly merization. D. R. Anderson, K. J. Watson, S. T. Nguyen 337. Toxicity studies of the species Pluchea symphytifolia using artemia saline assay. D. Morales, L. Santos 338. Transition-state topologies of the amideacetal Claisen rearrangement for acetals of cyclic amides. B. M. Hackman, S. Avrantinis, G. W. Daub 339. Unusual oxidative rearrangement pro moted by DDQ. A. H. Ghaffari, D. A. Otte, D. M. Thamattoor 340. Use of microwave irradiation in the or ganic chemistry laboratory. M. Garcia, I. Montes, J. A. Prieto, M. Mulero, Z. Nevàrez

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341. UV-vis study of the inclusion complexes of oxolinic acid with cyclodextrins. E. Leyva-Guerrero, E. Monreal, E. Moctezuma, E. Tovar 342. Structural investigations of vapochromic responses of Pt(ll) complexes. L. Swenson 343. Water density and the effect on DielsAlder and Heck reactions in hightemperature water. L. Gron, S. Martin, K. Kautzman, C. Higgins Inorganic Chemistry 344. Synthesis of copper nanoparticles by chemical reduction in aqueous solution. G. Martinez, A. Robledo, L. Flores-Velez, O. Dominguez, G. Sanchez-Loredo 345. Analytical ultracenthfugation study on the interactions of the C2 domains of synaptotagmin I in the presence of calcium. J. J. Grbic, R. A. Garcia, H. A. Godwin 346. Chemistry of high-surface-area cerium oxide: The role of zirconium. M. K. Smekar, T. R. Richardson, D. R. Huntley 347. Combinatorial screening for the direct catalytic oxidation of benzene to phenol. C. W. Hamilton, E. Gardner, C. Marshall, L. Iton 348. Copper(ll) complexes of biologically rel evant ligands. A. Thayer, Z. Thawley, M. Malachowski 349. Copper(ll) aminoacidato complexes: Unexpected redox behavior. C. F. Schil ler, A. L. Linaburg, T. L. Venable 350. Withdrawn. 351. Determination of the solubility constants of ZnUF6 and (NH4)7U6F31. R. M. DuBreuil, R. A. Hermens 352. Effects of ligand sterics and electronics on epimerization of chiral titanium com plexes. A. R. Johnson, A. D. Schuler 353. Electrochemical reduction of aluminum complexes to aluminum metal at low tem perature and at low potential. Β. Μ. Ashead, S. U. M. Khan 354. Electrochemical studies of transitionmetal pyrylium complexes. M. J. Shaw, S. E. Ripperda, S. Light, J. N. Mertz 355. Electrohydrolysis recycling of waste halide salts into reusable acid and base. J. M. Robinson, E. B. Banuelos, M. A. Bent ley, S. K. Cook-DesOrmeaux, M. P. Hausam, E. J. Mechalke, J . T. Pon, T. E. Rogers, L W. Shull 356. Encapsulation of CdS nanoclusters in sol-gel matrices. M. R. Knecht, D. W. Wright 357. Exploring the chemistry of iron complex es to model the active site of the enzyme isopenicillin Ν synthase. S. L. Gwizdala, B. Hansert 358. Fullerene chemistry: The characteriza tion and derivatization of star polymer an alogs. L A. Schafer, D. R. Huntley 359. Group 6 organometallic complexes with amino acids as models of the decarboxy lation chemistry of vitamin B6. J. P. Hammen, R. S. Herrick 360. Highly electrophilic aldehyde groups in dicationic benzaldehyde complexes of ru thenium and iridium. D. J. Burkey, E. L Velarde, R. A. Stephan 361. Hydrothermal synthesis of a hollanditetype manganese oxide with interstitial chromium. P. Driscoll, K. Krukowska, M. Marvel, S. Ching 362. In situ generation of trans[Ru(pyridine)4(L)(solvent)]2+ obtained by CI abstraction from frans-[Ru(pyridine)4(L)(CI)]+. A. Kuber, H. Nandor, S. Hira, R. Petrichko, D. D. Von Riesen, C. Timpson 363. Incorporation of small transition-metal complexes into hexamolybdate and octamolybdate anions. T. H. Mills III, M. A. Bolcar 364. Interactions in hexanuclear magnesiumill) and cobalt(ll) carbamate complexes. J. B. Benedict, M. T. Caudle 365. Investigations of selenium and tellurium alkoxides. J. M. Iriarte-Gross, H. D. Arman, S. T. Decha-Umphai 366. Kinetics and mechanism of vanadium(V) oxidations. S. N. Mahapatro, A. Aguilar, E. Medina, Ε. Μ. Medina 367. Kinetics of formation of transition-metal compounds with a novel diol. B. L. Westcott, J. Woltz 368. Lipophilic metal complexes for chiral transport and separations. S. A. Weber, F. M. MacDonnell 369. Luminescent platinum group complex es: Developing new solid-state emitters. R. Eisenberg, J. F. Houlis, Z. J. Tonzetich

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370. Mediated growth of calcite crystals us ing well-defined aspartate oligomers. J. C. Stires IV, M. Schmidt 371. Modeling the interaction between anti malarial drugs and structural mimics of the malaria pigment. M. K. Zimmerli, K. R. Rodgers 372. Models for copper-containing proteins. I. Guzman, R. Okon, M. Malachowski 373. NMR investigation of tetraalkylammonium salts of heteropolyanions in nonpolar solvents. M. Kozik, P. Page, J. Paul, P. Sauers 374. Nonaqueous sol-gel routes to microporous manganese oxides. E. Welch, A. Bahadoor, S. Hughes, S. Ching 375. Optical signaling of barbiturate recogni tion using cholesteric liquid-crystal dis plays. R. C. Chambers, E. J. Bell, T. M. Clark, A. M. Mclnturf 376. Organic derivatized polyoxometallates: Compounds with novel amphiphillic and electronic properties. R. C. Chambers, D. J. Ankeny, H. Nelson 377. Platinum(ll) cyclometalated complexes with fluorinated ligands as potential blue phosphorescent emitters. C. Goh, S. A. Lamansky, M. E. Thompson 378. Polarized specular reflectance spectros copy of nickel dimethylglyoxime and relat ed compounds. A. R. Harding, R. L. Musselman 379. Preparation of molybdenum dipeptide complexes. I. E. Wrona, R. S. Herrick 380. Preparation of new binuclear palladium complexes. K. E. Clarke, S. Schreiner 381. Probing the origin of selective rebinding in molecularly imprinted polymers. M. A. Pribisko, N. M. Brunkan, M. R. Gagne 382. Probing the relationship between reac tivity and electrochemical properties for a series of copper(ll) complexes. R. White, M. Malachowski 383. Processing of iron oxide nanoparticles by spray pyrolysis/drying. A. Bravo, M. Wilson, T. M. Harris 384. Processing of low-density titania by solgel method. T. Swearingen, T. M. Harris 385. Processing of low-density vanadia by sol-gel method. C. Dewan, T. M. Harris 386. Proposed syntheses of new metallomesogens. S. M. Malinak, M. R. Ams, J. L. Kuebler 387. Pyrazole and pyrazolate complexes with selected first-row transition metals. R. A. Villa, B. Peter, R. G. Raptis 388. Reaction of copper(ll) chloride with picolinamide. T. Rogers, G. Seebach 389. Reactions of primary silanes with a zerovalent platinum dimer. C. L. Hodge, S. Schreiner 390. Redox chemistry of nitrosyl hydride. S. N. Mahapatro, H. T. Le 391. Role of metal ions in the biosynthesis of the Diterpenoid marribiin in the common horehound {Marrubium vulgare). A. D. Candia, R. E. LaFever 392. Schiff base complexes prepared from amino acids and glyoxal. J. R. Giguere, R. S. Herrick 393. Selenium crystal growth via solventothermal techniques. C. A. Dickerson, J. A. Cody 394. Silver oxidation of picolinamide and benzamide in acetonitrile. R. A. Fleming, G. Seebach 395. Study of stacking effects of metal por phyrin complexes using polarized specular reflectance spectroscopy. S. A. Stockalis, R. L. Musselman 396. Sulfur-hydrogen activation by platinumdiphosphine complexes. A. Nunemaker, S. Schreiner 397. Synthesis and characterization of a nov el water-soluble copper(ll) metalloporphyrin. T. M. Marracino, J. E. Bradshaw 398. Synthesis and characterization of chiral tetrahedral titanium complexes with amino acid-derived ligands. A. R. Johnson, C. B. Yoo 399. Synthesis and characterization of gold(l) complexes with new thiolate-type ligands. S. Attar, K. F. Goto 400. Synthesis and characterization of met athesis polymers using ruthenium carbene catalysts. S. R. Sieck, M. Mason, J. Heppert 401. Synthesis and characterization of novel ligand-bridged ruthenium complexes. R. J. Petrichko, S. M. Hira, A. L. Kuber, H. Nandor, C. J. Timpson, D. D. Von Riesen 402. Synthesis and characterization of novel multinuclear platinum complexes. K. A. Mies, S. Schreiner

403. Synthesis and characterization of phosphine ligands and their ketene complexes. E. Vazquez, D. B. Grotjahn, G. Bikzhanova 404. Synthesis and characterization of poten tial metallo-dendrimer catalysts for phos phate ester hydrolysis. C. C. Lee, L. D. Margerum, X. Yu 405. Synthesis and characterization of Schiff base complex-functionalized layered organosilicates. S. N. Thomas, I. L. Lagadic 406. Synthesis and characterization of tributyltin compounds of folic acid and n-benzoyl-l-glutamate. J. A. Walmsley, J. W. Boyd, J. B. Hightower 407. Synthesis and ring-opening metathesis polymerization of norbomene functionalized cobalt dicarbollide compounds. S. Burk, J. E. B. Johnson, G. J. Balaich, R. Chamberlin, K. Abney 408. Synthesis of a novel water-soluble ironOil) metalloporphyrin and its DNA modifi cation. J. A. Kitchens, J. E. Bradshaw 409. Synthesis of a novel water-soluble manganese(lll) porphyrin and its DNA interac tion. A. L. Pickens, J. E. Bradshaw 410. Synthesis of a polyfunctional ligand for early-late heterobimetallic complexes. A. R. Johnson, G. J. Pageau 411. Synthesis of an artificial electrontransfer metalloprotein. H. Ahmad, M. Y. Ogawa 412. Synthesis of brominated s-aryl-lcysteine S,S-dioxides as possible inhibi tors of kynureninase. R. S. Phillips, J. M. Anderson 413. Synthesis of modified zirconium phosphonates. E. S. Onyema, A. O. Fabikun, K. J. Donaghy 414. Synthesis of new iridium and rhodium diphosphine complexes. H. Lucas, S. Schreiner 415. Synthesis of palladium-pyrazole com plexes. C. M. Marrero, S. Perez, P. Baran, R. G. Raptis 416. Synthesis of SHAA and its binding to gadolinium3"1". B. C. Jeffus, J. E. Brad shaw 417. Synthesis of ternary rare-earth chalcogen and pnicogen compounds. C. Delp, L. Hoistad 418. Synthesis of trans-substituted metalloporphyrins. D. C. Smithson, E. J. Hayden, T. J. Reinert 419. Synthesis, characterization, and oxygen atom-transfer reactivity of a discrete monooxo-molybdenum(VI) complex. S. R. Davie, S. Mondai, Ν. Rubie, A. Somogyi, J. H. Enemark, M. L. Kirk, P. Basu 420. Synthesis, characterization, and reactiv ity of a zirconium complex containing a bowl-shaped ligand. R. M. Chin, M. Jarosh, J. Russell, R. J. Lachicotte 421. Synthesis, structure, and properties of an unusual, four-coordinate copper(ll) complex. I. Johansson, J. W. Gohdes 422. Thioether ligands and complexes capa ble of hydrogen bonding. G. Hernandez, D. B. Grotjahn, S. Van, D. Combs, G. Bikzhanova, G. E. Boldt, E. Vazquez 423. 119Tin NMR study of organotin chloride adduct formation. L. A. Margolis, J. M. Home, C. H. Yoder 424. Undergraduate experimental research in applied inorganic and materials chemis try. L. A. Feliu, D. L. Perry Computational Chemistry Cosponsored with Society Committee on Education Chemistry 425. Effects of solvation and methylation on alternative nucleophilic reaction pathways for bromide/allyl bromide. C. Brown 426. Theoretical calculation of the effects caused by the substituent R3 = -C 6 H 5 , -CH 3 , and - N 0 2 in the geometry and as sociation energy in compounds quadruply hydrogen-bonded of the 2-ureido-[1H]-pyri midinone dimers using the semiempirical method AM1. C. O. Estevez, J. Ortiz, M. Torres, A. Gonzalez, Y. D. L. Lozada, J. G. Estevez, L. D. Estevez


427. Computational and experimental study of the reactions of dicyanoazomethine ylides with dipolarophiles. F. Freeman, C. Au 428. Synthesis and characterization of carceplexes. D. F. Nogales, J. M. Crowfoot 429. Order-disorder. D. Lin, R. Garza 430. Computational study of aromaticaromatic interactions. B. Shipano, D. Parker, T. Nguyen, S. Brooks, S. BasuDutt 431. Ab initio calculations on XN 3 (X = H, F, CI, and Br) molecules. K. R. Heinzeroth, R. W. Schwenz 432. Ab initio studies on the interaction of sulfur dioxide and water. P. Fudacz, J. M. Standard 433. Instance of a novel hydrogen-bonding situation? J. E. Eilers, C. A. Rice 434. Antifreeze proteins at the ice/water in terface. P. Dalai, J. E. Knickelbein, F. Sônnichsen, A. D. J. Haymet, J. D. Madura 435. Carcinogenic potential of petroleum refinery emissions. S. Tinney, B. Shipano, S. Brooks, S. Basu-Dutt 436. Characterization of lithium battery electrolytes by computer modeling. Β. Κ. Moore, R. V. Whiteley Jr., J. O. Currie Jr., Κ. Ε. Johnson 437. Classical trajectory study: Pyrazine and carbon monoxide. S. Chapman, C. Hig gins 438. Computational analysis of the structure of MEK's active site and of its inhibitors. A. S. A. Gracon, M. C. Milletti 439. Computational studies of the reaction of OH radical with CI", S0 4 z ", and C0 3 z ". D. L. Schwartz, M. H. Hennessy, D. W. King 440. Crambin energy landscape using CHARMM and MOPAC2000. P. A. For ward, M. E. Gomez, J. D. Evanseck, J. D. Madura 441. Dehydrogenation of acetylene on sodi um and aluminum. M. L. Strange, E. D. Glendening 442. Dehydrogenation of ethylene on sodium and aluminum. C-H. Chen, E. D. Glenden ing 443. Dehydrogenation of formaldehyde on sodium and aluminum. Y-F. Chen, E. D. Glendening 444. Development of a polarizable potential model for acetonitrile. K. W. Germino, R. S. Taylor 445. Effect of ring strain on the thiolatedisulfide exchange. S. M. Bachrach, J. Woody 446. Hartree-Fock and density functional the ory calculations on a series of polychlorinated biphenyls. A. E. Clifton, M. C. Mil letti 447. Interactions of vanadate with alcohols probed by vanadiam NMR spectroscopy. Y. K. Luu, J. E. Hanson 448. LocusLink and RefSeq: Developing tools for genomic annotation and analysis. S. L Frankel, D. R. Maglott 449. Molecular modeling of HIV inhibitors. K. Sinclair, C. Parish 450. Molecular dynamics simulation of the uranyl-quartz interface. G. Bemis, R. Pabalan, J. A. Greathouse 451. Monte Carlo calculations for the excess molar volume for the mixture of />pentane and 2,5-dimethylheptane. K. L. Haataja, B. Chen, J. I. Siepmann 452. Nucleophilic addition to α,β-unsaturated dioxolanones. S. Beier, M. C. Milletti 453. Nucleophilic substitution of disulfides. S. M. Bachrach, T. Dao 454. OEP DFT methods applied to weakly interacting ionic systems. C. A. Fahlstrom, J. A. Nichols 455. Production enhancement through mo lecular modeling. L. Hale, E. A. Nalley, G. Funkhouser 456. Progress in a computational investiga tion of conformers of chiral hypervalent io dine compounds. S. J. Burpee, A. N. French, J. Haas, T. Wirth 457. Protein folding using an on/off lattice simulation protocol. M. P. Rumon, J. D. Evanseck, J. D. Madura 458. Quantum chemical data mining for in sights into classical chemistry. J. L. Rheinecker, P. J. MacDougall 459. Simultaneous determination of methyl salicylate, menthol, and eucalyptus oil by GC/MS. J. Froude Jr., S. Kiehn, C. Smith, E. A. Nalley 460. Study of backbone hydrogen motional parameters and entropy contribution using α-contoxin Gl. S. E. Wong, D. C. Chatfield

HTTP: / / P U B S . ACS.ORG/CEN

461. Theoretical study of structure and stabil ity of HN03-water clusters: ΗΝ0 3 (Η 2 0) η , η = 1-3. D. E. Bacelo, F. J. Sandoval Environmental Chemistry 462. Examining white oaks and chestnut oaks for wine-barrel making. S. Matta 463. Photocatalytic degradation of the insec ticide permethrin. G. Velazquez, E. Moctezuma, A. Hernandez 464. Serial extraction for radiolabeled dicamba and 2,4-DCP from soil. R. Brooking, K. Semple 465. Aliphatic hydrocarbons from epicuticular waxes and sediments from the coastal Florida Everglades: Implications in their application as indicators of organic matter sources. J. T. Chong, C. Lopez, R. Mead, R. Jaffe 466. Analysis and optimization of coal emis sions. M. Roth, W. Stigliani, C. Hanson 467. Analysis of organochlorine pesticides on the shoreline of Town Lake in Austin, Tex. C. A. Au, E. D. Niemeyer 468. Assessment of arsenic mobility in the golf courses of south Florida. J. Cabrera, M. Georgiadis, Y. Cai, K. Jayachadran 469. Assessment of sediment/water interac tions in a gulch carrying acid mine drain age. J. A. Jordet, T. R. Wildeman 470. Base metal and trace element concen· trations in stream sediments along the Pe cos River, from the southern Pecos wilder ness to Brantley Dam, north of Carlsbad, eastern New Mexico. E. A. Carey, L. A. Brandvold, V. T. McLemore 471. Baseline herbicide analysis of Carroll College field station stream water. D. M. Cleveland, J. J. Piatt 472. Can plants be used to remove lead con tamination from soil in mid-Michigan? R. J. Cottrell, S. P. Shepardson, D. S. Dalgarn, D. S. Karpovich 473. Characterization of toxic compounds in the underground aquifers along the north coast of Puerto Rico. C. M. Negron, O. Rosario, J. Mollinelli 474. Chemistry of several hot arsenic springs and a silicon terrace in Yellowstone Na tional Park. B. Waisley, R. E. Mielke, G. Southam, R. D. Foust Jr. 475. Composition of PM2.5 in the Salt Lake City EPA EMPACT Program. K. J. Fiet, R. W. Long, N. L. Eatough, D. J. Eatough, W. E. Wilson 476. Conversion of dichloroacetic acid to chloroform under water treatment condi tions. E. R. Moore, G. H. Purser 477. Cytotoxicity of selected plant extracts to microbial and cervical-cancer cells. R. D. Malmstrom, E. Kipp, A. Paul, G. Booth 478. Deposition of organic atmospheric com pounds through rainfall. I. Perez, R. Blan co, O. Rosario, T. Novakov, T. Kirschtetter 479. Detection of methyl fert-butyl ether uti lizing a direct aqueous injection method with GC/MS. T. A. Ruda, R. J. luliucci 480. Determination of herbicide contamina tion in two Iowa lakes using solid-phase extraction and high-pressure liquid chro matography. C. R. Scanlan 481. Determination of polycyclic aromatic hy drocarbons in the Chester River. A. M. Bellin, J. R. Locker 482. Determination of the toxicity of the her bicide Round-Up to Vibrio fischerii and Eisenia foetida. G. W. Bennett, J. T. Knight

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483. Developing an environmental model for the determination of the amount of sulfate and nitrate in particulate matter in wet and dry deposition based on meteorlogical conditions. A. J. Drauch 484. Effect of soil particle-size fractionation on the pyrolysis mass spectra of humic and fulvic acids. E. S. Erickson, C. Shang, J. A. Rice 485. Fish, water, and sediment analysis of Woonasquatucket River, R.I. M. L Lom bard!, S. K. O'Shea 486. FTIR analysis of the UV degradation of organic molecules on Ti0 2 and a-Fe 2 0 3 surfaces. D. A. Turnacliff, B. D. Allen, J. M. Truttmann 487. Introducing PCB analysis into environ mental chemistry laboratory. M. Qi 488. Investigation of western Washington soil health by microbial plating, DNA extrac tion, and ICP metal analysis. L. M. Cox, J. L. Higbee, J. R. Schultz 489. Investigations of high fecal coliform counts in a campus pond. N. A. Davis, V. R. Bryan 490. Kinetic and optimal moisture studies of methanotroph-enriched whole soil sam ples overlying coal-bed methane seeps. C. D. Adams, K. W. Mandemack, C. H. Mills, R. E. Milofsky 491. Lead concentrations in southeast Texas soil. E. Market, J. D. Ortego, C. Blanchard 492. Lead testing in area secondary schools using anodic stripping voltammetry. S. Bergren, S. Sadlo, J. H. Brown 493. Measuring microscopic particles carried in the air in Odessa, Tex. J. A. Chavez Jr., D. M. Post, G. Richardson 494. Monitoring the electrified microheterogeneous-catalyzed decomposition of a model organic pollutant, 2,3dichlorobenzoic acid, in aqueous media by solid-phase microextraction and GC/MS analysis. M. M. Merz, E. J. Osburn Atkin son, Z. Feng 495. Novel approaches to chromium remedi ation by reduction. A. E. Landis, T. A. Evans 496. Organ-specific accumulation of the pes ticide DDT in fish. R. M. Nowak, G. M. Lange, D. S. Karpovich 497. Photochemical degradation of 2,4-D and atrazine in well-defined media. D. A. Ghertner, T. Bertram, C. Langelier, D. W. King 498. Photodecomposition of N 0 2 . K. D. Belfield, J. J. Karpf, O. Yavuz 499. Protocol for the determination of MTBE in regional waters by GC/MS. W. A. Mealy, G. Kananen, N. Ngaine, A. G. Pot ter 500. Reaction pathway of phenol and monochloramine under simulated watertreatment conditions. D. Zoetewey, V. Heasley 501. Significance of discarding internal fluids in the analysis of trace organic contami nants in oysters. B. G. Johnson, J. L. Sericano 502. Solvent refining and decolorization of waste oil. J. M. Robinson, A. L. Washing ton, J. L. Cox, J. T. Davis 503. Sulfate release from 2-diisopropylaminoethylsulfonic acid, a derivative of the nerve agent VX, by taurine-utilizing bacteria. M. P. Labare, L. C. Hird 504. Speciation of zinc accumulated by Datu ra innoxia plant cells. R. A. Kelly, J. G. DeWitt 505. Toxic compounds formed in the disin fection of natural waters in the tropics. S. C. Nanita, O. Rosario 506. Treatment of mine drainage with sub surface-flow wetlands. B. Stephenson, T. M. Harris, W. A. Rosche 507. Treatment procedures for zinc wastes from academic laboratories. D. B. Alger, T. Nahir, J. Olivarez 508. Use of steel slag in the remediation of acid mine drainage. L. M. Brubaker, T. Wildeman 509. Water chemistry of Grand Canyon Na tional Park springs. V. Blackwood, W. Mason, R. D. Foust Jr. 510. Water-quality analysis of Chemung Riv er, Elmira, NY. A. M. Hollabaugh, R. P. Bennett 511. Water quality in the Sulphur River basin. J. Barker, C. Ballard, R. Shipp, C. Lynch 512. Wet weather impact on trihalomethane formation potential in tributaries of drinking-water reservoirs. R. M. Peters, E. A. Alkhatib

* Technician Education in the 21st Century cosponsored with Division of Chemical Technicians (see page 99)

MONDAY AFTERNOON Section A San Diego Marriott Marina D Chemical Dynamics at the Turn of the New Century: Nobel Laureates Look Back and Ahead Cosponsored with Division of Physical Chemistry

J. Van Houten, Organizer, Presiding 2:00—513. Unimolecular reactions and the strange mass-independent isotope effect in chemistry. R. A. Marcus, Y. Q. Gao, B. C. Hathorn 2:45—514. Chemistry of the atmosphere. F. S. Rowland 3:30—Intermission. 3:40—515. Some really moving stories. R. Hoffmann

Section Β San Diego Marriott Cardiff Teaching Analytical Chemistry in the New Century Cosponsored with Division of Analytical Chemistry

J. E. Pemberton, S. Van Bramer, Organizers J. E. Pemberton, Presiding 1:30—Introductory Remarks. 1:35—516. National survey of the undergrad uate quantitative analysis course from a faculty perspective. P. A. Mabrouk 2:05—517. Textbook and curriculum in the introductory quant course. D. C. Harris 2:35—518. Ensuring (regaining?) our place in the undergraduate curriculum. C. G. Enke 3:05—Intermission. 3:15—519. Use of the ACS voluntary indus try skill standards to design analytical lab oratory curricula. K. D. Hughes, C. White, R. Hofstader 3:45—520. Salt and sugar: The effect of sample size on sampling error in hetero geneous mixtures. D. D. Weis 4:05—521. Introducing multivariate analysis techniques in the undergraduate analytical chemistry curriculum. A. G. Cavinato 4:25—522. Our changing students: Comput ers and relevance in analytical chemistry. G. P. Foy, R. L. Foy


C. A. Kingsbury, S. M. Schelble, Organizers M. Druelinger, Presiding 1:30—Introductory Remarks. 1:40—523. Using modern tools to update the organic chemistry laboratory. L. S. Starkey 2:00—524. Combinatorial synthesis and dis covery of an antibiotic compound, a novel laboratory experiment. S. E. Wolkenberg, A. I. Su 2:20—525. Environmentally benign (green) organic chemistry laboratory curriculum at the University of Oregon. J. E. Hutchison, K. M. Doxsee, S. M. Reed, M. G. Warner, R. D. Gilbertson, W. B. Wan, G. Succaw


2:40—Intermission. 2:50—526. Combinatorial chemistry: Com bining research and teaching in the organ ic chemistry laboratory. T. A. Newton, H. J. Tracy 3:10—527. Environmentally friendly aromatic nitration using a supported catalyst. V. J. Geisler, R. M. Fuller, R. P. Witek, H. E. Smith, S. A. Hughes 3:30—528. Microscale organic experiments: Past, present, and future, and its influence on laboratory design. K. L. Williamson 3:50—Panel Discussion. M. L. Druelinger

Section D San Diego Marriott Green New-Fangled Ideas What Works? What Doesn't?

C. A. Bailey, Organizer, Presiding 1:15—Introductory Remarks. 1:20—529. Design for the future. C. A. Bailey 1:45—530. Technology in the classroom at Widener University. S. E. Van Bramer 2:10—531. Interactive learning modules for general chemistry. S. S. Perry 2:35—532. Bringing peer-led team learning to the community college. M. Adamczeski, D. S. Bartow 3:00—Intermission. 3:10—533. Incorporating research into the undergraduate curriculum at a small, pub lic liberal arts university, or how to have your cake and eat it too. Ν. Ε. Carpenter 3:35—534. "Value-added" of collaborative and problem-based learning in organic chemistry. L. C. Hodges, L C. Harvey 4:00—535. Making connections to the chem ist's workplace. J. V. Kenkel, P. B. Kelter 4:25—536. Labworks workstations and inquiry-based experiments at American University. K. J. Donaghy, J. Halverson, T. Maser

Section Ε Convention Center Sails Pavilion Undergraduate Research Posters

L. E. Garrison, Organizer, Presiding 1:30-3:30 Biochemistry 537. δ-9 Desaturase structure-function rela tionship. E. Vivas, C. Parish 538. Activity and specificity of various aryldiazonium salts as chemical nucleases. R. Kopper, J. W. Munos 539. Alkaline phosphatase activity under par tially denaturing conditions. R. A. Kopper, C. M. Carle 540. Alternative purification for embryonic chicken brain DNA polymerases. C. C. Brown, I. M. Simet 541. Amino acid and nucleotide concentra tions in Pommard pinot noir wine ferment ed with different strains of Saccharomyces cerevisiae. S. L. Hillyard, K. P. Wood man, M. S. Rice 542. Amino acid concentrations in wines de termined by HPLC analysis. R. E. Fox, A. M. Chiri, M. S. Rice 543. Amplification of MRP 1 in human breast cancer cell lines. M. Bradley, D. M. Dean 544. Analysis of aphanoplasmodial stage of the myxomycete Stemonitis flavogenita for kinesin and related cytoskeletal elements. Z. G. Burton, J. T. B. Collins 545. Analysis of kinesin and related cytoskel etal elements in the coralloid Plasmodium of the myxomycete Stemonitis flavogenita. J. T. B. Collins, S. J. Tucker 546. Analysis of protease synthesized by cyanobacterium Synechocystis sp. strain PCC 6308. E. M. Koelsch, A. J. Wolfson 547. Analysis of the cytoskeletal element mi crotubules and associated protein kinesin during spore germination of the myxomy cete Stemonitis flavogenita. W. J. Jermakowicz III, J. T. B. Collins 548. Analysis of trans-acting factors involved in vertebrate RNA processing. V. O. Vitkauskas, A. McCullough, S. Berget 549. Bacterial cell surface protein anchoring. A. M. Bernard, S. L. Jones, A. M. Lee, T. R. Marshall, J. F. Goers, M. N. Rigler, L. C. Blaszczak 550. Binding of DnaB helicase to singlestranded DNA. E. A. Rogers, M. Griep C & E N / M A R C H 5, 2 0 0 1

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551. Biochemistry I lab project: Development of protein assay experiments using a mi croplate photometer and investigation of protein quaternary structure using electro phoresis. S. S. Jain, J. L. Powers, C. Tran, R. Chabayta, V. L. H. Bevilacqua 552. Biocomputing: In vivo AND gate. J. R. Willard, B. Applegate, M. L. Simpson, J. Fleming, G. Sayler 553. Biophysical analysis of mouse karyopharin a. R. McConnell, Β. Μ. Reedy 554. Ceramide metabolite analysis. J. Prather, R. Jenkins, R. Swindell 555. Characterization of Staphylococcus au reus: Effects of cell density. J. L. Erlach, M. A. Fisher 556. Characterization of allergenic proteins isolated from a single peanut. R. A. Kopper, M. Zhou 557. Characterization of EL01, an enzyme involved in fatty acid elongation, in Saccharomyces cerevisiae. A. M. Staub, J. Jaworski, B. Blacklock 558. Characterization of rhodoquinone-10 precursors in Rhodospirillum rubrum. J. N. Shepherd, M. Hotchko, C. F. Clarke 559. Comparison of gravitropic responses in an auxin-insensitive tomato mutant, wild type, and the F1 hybrid. S. Zohouri, H. N. Ha, M. S. Rice 560. Comparison of phenylalanine-ammonia lyase expression in an auxin-insensitive mutant to a wild-type tomato. S. M. Mar cos Jr., D. P. Cohune, J. S. Adams, M. S. Rice 561. Comparison of whitefly resistance on Diageotropica mutant and wild-type toma to. K. C. Rincon, M. S. Rice 562. Control of Lucina pectinata hemoglobin I redox properties through site-directed mutagenesis: cDNA library preparation and gene cloning. J. A. Ramirez, R. G. Leon, J. L. Colon 563. Correlation of nucleotide excision repair capacity and cancer recurrence in stage I breast tumors. A. K. Blockinger, C. M. Kelly, L. D. Piersall, K. A. BeaudryRodgers, A. K. Shakir, W. S. Rubinstein, V. G. Vogel, J. MacNeil, J. J. Latimer 564. Covalent intermediates in "hydride equivalenf transfers with nicotinamide co enzyme models. J. L. Meitzler, R. A. Mehl, R. D. Libby 565. Custom synthesis of oligonucleotides for use as molecular probes. V. Evans, L. Ramos, E. Walters, E. F. Healy 566. Deacylation of the proteolipid protein by palmitoyl protein thioesterase 1. Κ. Κ. Gresh, M. A. Fisher 567. Deduction of the interaction between the AI subunit of factor VIII and protein C. A. M. Amoia, A. M. Monroe, L. O'Brien 568. Design and methodology of recombi nant methods for production of serine carboxypeptidase II. S. Nelson, M. KopeckiFjetland 569. Detection and characterization of trans glutaminase activity in plant sources. G. Rodriguez, B. Ashiagbor, M. KopeckiFjetland 570. Determination of cellular redox-state in dicators. K. A. Langhofer, E. D. Lankford, D. J. Reuland, S. Ganguli 571. Determination of the effects of pH on crystal growth of monoclinic turkey egg white lysozyme crystals. E. Rruka, L. Volaric 572. Developing RNA catalysts for the carboxylation of biotin. J. Sayes, A. Grove 573. Development of quantitative assay for glutathione reductase. P. Hagey, E. F. Healy

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574. Diepoxide interstrand cross-linking of 5S DNA. J. T. Millard, J. Goda 575. DNA-cytochrome c cross-linking from guanine oxidation: Dependence upon heme oxidation state. K. Nguyen, E. V. Rivas, P. Sanchez, E. D. A. Stemp 576. DNA-peptide cross-linking using the flash-quench technique: Dependence upon nucleophilicity. A. Gonzalez, M. Steryo, P. To, E. D. A. Stemp 577. DNA-protein cross-links generated by the flash-quench technique: Dependence upon DNA sequence. K. Kurbanyan, A. M. Lueras, S. Ward, E. D. A. Stemp 578. Effect of glucocorticoid on coronary ar tery endothelial function. S. Yang, C. A. Bonar, J. L. Estrella 579. Effect of isopentanol on the cytochrome P450: Mediated metabolism of acetamino phen. N. A. Zagurskie, M. A. Fisher 580. Effect of Pycnogenol on vitamin C deg radation. B. Umber, J. Parry, L. L. Kirk, K. Silliman 581. Effects of a- and β-hydroxyallenyl phosphine oxides on the growth of human breast carcinoma cells. S. E. Coope 582. Effects of a1(XI) collagen isoforms on the structural and functional properties of the vitreous humor. S. R. Kristovich, J. T. Oxford 583. Effects of aminophenol stereospecificity on the kinetics of tyrosinase in L-ascorbic acid. R. L. Rethage, M. A. Fisher 584. Effects of lipid A and components of the bacterial cell wall on the bactericidal action of lactoferrin. M. Heinnickel, M. A. Fisher 585. Effects of substrate structure on the re action pathway in chloroperoxidasecatalyzed peroxidation of phenols and an ilines. S. Schiavo, S. Home, L. Williams, R. D. Libby 586. Electron transfer between cytochrome i>5 and α-chains of hemoglobin. M. S. Wong 587. Elucidation of the biosynthetic pathway of rhodoquinone using R. rubrum mutant strain F11. J. N. Shepherd, T. L Spreier 588. Energetics of chiral selection by vanco mycin and an amino acid DNA aptamer. S. R. Sumrall, V. Viner, G. Viner, C. M. Rabai, T. J. Ward, G. R. Bishop 589. Enzyme stability in organic solvents. L. I. Vergara, E. Alvira, S. Gonzalez, B. Vega, G. Barletta 590. EPR binding studies of a spin-labeled cisplatin analog. B. Hicks, W. Grabow, K. A. Gardner 591. Eukaryotic DNA topoisomerase I kinet ics: The effect of substrate supercoiling. P. Arezina, M. A. Fisher 592. Exploring metal substitution for the structure determination of a metal-binding peptide. M. J. Jose, S. U. Dunham 593. Expression of horse cytochrome c in Escherichia coli. M. Lind, C. Patel, G. J. Pielak 594. Feverfew: The biochemical transforma tion of parthenolide. M. K. McVoy, W. Gray, C. Myers, J. Blumer 595. Flanking sequence effects on DNA in terstrand cross-linking preferences of diepoxides. S. Srivatsan, J. T. Millard 596. Free-radical production in chloroperoxidase-catalyzed peroxidatic reactions var ies with substrate structure. J. M. Jones, L. Williams, S. Home, R. D. Libby 597. Gel mobility shift assays of flexibility en hanced binding of BIV Tat peptide to TAR RNA. R. Dees, E. M. Pulido, B. Lustig, E. D. Collins 598. Heat labile component of alarm sub stance in Ostariophysian fishes. L. Louisi ana II, N. Korpi, C. Jasperse, B. Wisenden, J. Provost 599. Horseradish peroxidase-catalyzed oxi dation of hydroxyurea: Evidence for nitric oxide production. E. M. Sommers, S. B. King 600. Identification of nucleoside and DNA adducts formed by S-(1-acetoxymethyl)glutathione, a compound modeling dihaloalkane-glutathione conjugates. B. J. Morris, G. A. Marsch, F. P. Guengerich 601. Impact of bioaerosals and outdoor pol lutants on pulmonary function. D. L Mc Connell, W. Potter, D. McKittrick, D. Schonfield 602. Implementation of tunable diode laser spectroscopy for noninvasive breath diag nostics. A. K. Burn, W. T. Potter, K. Symcox, C. Redden 603. In vitro reconstitution of Cue-1 biogene sis. N. B. Bay, E. Carlson, W. R. Skach

604. In vitro sequence-specific gene target ing by triplex-forming oligonucleotides. M. A. Haley, E. J. Chuang, I. V. Panyutin, I. G. Panyutin, R. D. Neumann 605. Increased oxidant-induced intestinal cell death in low glucose is associated with prolonged cellular redox imbalance. N. J. Sieber, M. H. Jennings, T. Y. Aw 606. Inhibition of glutamate carboxypeptidase by phosphoryl and thiophosphoryl derivatives of glutamic and 2-hydroxyglutaric acid. A. R. Martinez, H. Lu, R. J. Ng, C. C. Shieh, C. E. Berkman 607. Investigation of cross-linking between DNA and ruthenium-peptide conjugates using the flash-quench technique. A. M. Lueras, K. D. Copeland, E. D. A. Stemp, J. K. Barton 608. Investigations into the protein-protein in teractions between the cytosolic routing determinants of the peptide processing enzyme PAM and the kinase PCIP2. S. M. Lynn, B. D. Caldwell 609. Investigations of the effect of NSAIDs on antibiotic susceptibility in Staphylococ cus aureus. L. M. Glasgow, J. Baker, B. D. Caldwell 610. Isolation and investigation of the role of HMG1 in diepoxide cross-link recognition. T. F. Frazar, J. T. Millard 611. Isolation, purification, and kinetic prop erties of rat hepatoma class 3 aldehyde dehydrogenase. B. C. Aaker, R. Lindahl, D. C. Hawkinson 612. Kinetic exclusion assays to quantify DNA-protein interactions. H. M. Thomp son, R. Blake III, A. Bengrine 613. Kinetic studies of bovine catalase. J. L. Cipollini, J. A. Cramer 614. Mechanistic analysis of human Eg5 monomer, Eg5-367. C. L. Hanigan, S. P. Gilbert 615. Metal ion stabilization of G-tetrads con taining 6-thioguanosine. S. U. Dunham, J. C. Drees 616. Methylmercury in Alaskan Yup'ik Eski mo. R. F. N. Rothschild, L. Duffy 617. Modeling sucrose metabolism: The elasticity of invertase. M. D. Neale, J. Chase 618. Modeling carbohydrate-carbohydrate in teractions in the glycosphingolipid signal ing domain. A. M. Malkowski, T. Sartori, T. Sasaki 619. Molecular determinants of Vj gating po larity in Connexin 32 hemichannels. S. Y. Rivkin, S. Oh, T. A. Bargiello 620. Molecular recognition of T-G mis matched base pairs by imidazolecontaining analogs of distamycin. M. Lee, K. Cox, C. Price, M. Le 621. Nature of DNA-protein cross-links pro duced via the flash-quench technique. C. Kosinski, K. Kurbanyan, E. D. A. Stemp 622. NMR studies of stannin: A 9-kDA mem brane protein that mediates cell apoptosis. J. Lewis, A. Mascioni, G. Veglia 623. Novel fluorescent spermine derivatives. K. Bryden, E. Csuhai, J. Gerwe 624. Nuclear magnetic resonance studies of cannabinoid receptor second extracellular loop peptides. T. P. Albright, V. L. H. Bev ilacqua, P. H. Reggio 625. PhotoSELEX employing 5-(4-benzoylphenyl)-dUTP and 5-(4-azidophenyl)-dUTP for the bFGF target. M. Z. Cunningham, L. Gold, M. C. Golden 626. Pregnane X receptor regulates bile acid homeostasis. J . M. Ashcroft, J . Staudinger, C. D. Klaassen 627. Presenilin I L286V: Comparison be tween direct expression and GST fusion protein production. J. McDonald, B. Valenan i, M. Pierce, K. Fantasia, K. Cetto, S. Spencer, L. Gentile 628. Presenilin-I: To be or not to be? M. deLivron, L. Gentile 629. PS-II: Definition and verification of TM6/ TM7 structural domains. E. Gammelin, C. Nash, L. Gentile 630. Purification and crystallization of E2AHLF(N) constructs for X-ray crystallogra phy. M. W. Everett, G. McDermott 631. Purification of apcfib. V. Nguyen, O. Matveeva, D. limoto 632. Withdrawn. 633. Redox regulation of pyruvate dehydro genase activity. E. D. Lankford, D. D. Welman, K. A. Langhofer, D. J. Reuland, S. Ganguli 634. Redox tuning in E. coli iron superoxide dismutase. J. Fisher, E. Yikilmaz, A-F. Miller

635. Respiratory-deficient yeast response to paraquat and nitrotyrosine. J. R. Kimball, J. R. Schultz, O. L. Stubblefield 636. Role of phosphorylation in egg activa tion. J. D. Legassie, C D . Thaler 637. Screen to disrupt sctl, a second-site suppressor of Chlamydomonas reinhardtii, crdt F. Soto, J. Moseley, S. Merchant 638. Solid-state deuterium NMR study of the effect of cholesterol and detergents on membrane elasticity. E. M. Dykstra, G. V. Martinez, S. Lope-Piedrafita, M. F. Brown 639. Sphingomyelin-cholesterol-glycerophospholipid interactions in liposomes. M. R. Nelson, C. R. Miller 640. Stability of DNA duplexes containing 6-thioguanine. S. U. Dunham, R. Mabaera 641. Structural analysis of 6-thioguanine in duplex DNA by NMR spectroscopy. S. U. Dunham, H. E. Olson 642. Structural analysis of a DNA duplex containing 6-thiodeoxyguanosine by ESR and NMR spectroscopy. S. U. Dunham, B. O. Tuncak 643. Structure-function study of the biotrans formation of fatty acids by human liver mi crosomes and recombinant UGT2B7. S. N. Stewart, J. M. Little, A. RadominskaPandya, A. R. Jude 644. Studies of genetic transformation effi ciency using various cobalt compounds to make competent cells. A. Dietrich, A. Zanella, M. E. Hatcher 645. Studies on the biosynthesis of acetylene dicarboxamide. L. E. Brunson, G. C. Mc Donald Jr., C. D. Taylor, E. W. Blakeney 646. Synthesis and characterization of cis and trans disubstituted tetraphenylporphyrins and their metal complexes. U. Simonis, R. P. Wu 647. Synthesis and testing of a new photoaffinity label for an opioid peptidase. M. Allen, E. Csuhai 648. Synthesis of a calcium-binding pentapeptide using the Sheppard method of solid-phase synthesis. N. A. Van Gorder 649. Testing of new spermine analog inhibi tors for an opioid peptidase. J. Park, E. Csuhai 650. Thermodynamic characterization of the Anabaena group I intron structure. Z. A. Filip, C. E. Rohlman 651. ThermoSELEX employing 5-modified dUTPs for the bFGF target. R. J. McGill, T. H. Koch, M. C. Golden Polymer Chemistry 652. Porphyrin interactions witih poly[dGdC] 2 and poly[dl-dC]2 DNAs. L. A. Degoricija, A. Armstrong, A. Shachter 653. Systematic study of the phase behavior of poly(styrene-b-isoprene). P. Nelson 654. Characterization of hydrogen cyanide polymers by electron spin resonance and atomic force microscopy. F. S. E. Helfrich, M. P. Eastman, T. L. Porter, R. T. Weber 655. Characterization of self-assembling twodirectional arborol gels and a fluorescent analog. B. Lyles, P. Russo 656. Charge-state formation in p,p'dihalodiphenylpolyenes. K. Kuhl, C. W. Spangler 657. Controlled drug release from EVAcorganosilicate nanocomposites. S. H. Cypes, W. M. Saltzman, R. A. Gemeinhart, E. P. Giannelis 658. Effect of copolymer additives on a poly mer blend studied by Monte Carlo simula tions using a Linux Beowulf cluster. J. L. Higbee, D. A. Waldow 659. Inverted molecular micelles: A new ar chitecture for silica-surfactant selfassembly and porous silicates. S. B. Voytek, M. Moeller, T. Glauser, J. L. Hedrick 660. Manufacture and electrochemical char acterization of nanobattery systems. R. J. Hanoch, M. Papenfuss, D. Teeters 661. Mobility of DNA on cationic supported lipid bilayers. A. Marton, E. J. Stancik, D. J. Olson, J. M. Johnson, S. G. Boxer, G. G. Fuller

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662. Modified siloxanes and their corrosion protective properties. S. M. Nottestad, L. Ellingson, D. Tallman, G. Bierwagen 663. Molecular modeling of chemical drag re ducers. M. L. Hazelwood, A. Demirdal, N. E. Takach, D. C. Teeters 664. Nanoelectrochemical characterization of polymer materials used in batteries. A. Embrey, D. Teeters 665. Polymerization of D,L-lactide by ferric alkoxide catalysts. S. M. Monnier 666. Synthesis and characterization for a novel polyelectrolyte-polyaniline complex. D. R. Paulson, T. Viswanathan 667. Synthesis and characterization of C 60 end-capped octafunctional polystyrene stars. K. N. Russell, D. Taton, Y. Gnanou 668. Synthesis and characterization of novel substituted poly(oxy-1,4-phenylene)s. M. R. Santos, K. McGrady 669. Synthesis and properties of multiwall carbon-nanotube-reinforced polymer com posite fibers. A. P. Presler, R. Andrews, T. Rantell 670. Synthesis and two-photon upconverted fluorescence of fluorenyl succinimidecontaining copolymers. K. D. Belfield, S. Andrasik 671. Synthesis of molecularly imprinted poly mers using combinatorial chemistry. R. W. Davis, J. C. DiCesare 672. Synthesis of polyaniline and its deriva tives. M. D. Temple, S. K. Manohar 673. Synthetic studies and molecular model ing of furan-pyrrole copolymers. R. McConnell, K. Powell, S. Baker, W. Godwin 674. Synthetic studies and molecular model ing of furan-thiophene copolymers. R. McConnell, S. Baker, K. Powell, W. Godwin 675. Theoretical aspects of oligoester hydrol ysis. L E. Meemken, A. H. Johnson, H. Ni, M. D. Soucek 676. Water-glycol polymer separations. K. A. Stawowy Jr., K. C. Lilje Chemical Education 677. Beyond the classroom: Supplemental instruction. K. M. Fisher 678. New inorganic laboratory experiment: Synthesis of [ReO(DMSAr-]. C. Downum, E. C. Lisic 679. Design and implementation of a peda gogical research project to assess the ef fectiveness of a specially designed ramp in explaining electron configuration to in troductory chemistry students. J. C. Earlywine, M. J. Kurtz 680. Evaluation of the peer-led team learning instructional model: Why does it work? C. Hutson, M. Curtis, R. E. Blake Jr. 681. Implementing problem-based experi ments into the undergraduate organic chemistry laboratory curriculum. C. C. Amesbury, T. A. Knoerzer 682. Theoretical studies of the effects caused by the substituents on R1 and R2 position in the monomer of the 2-ureido4[1 A7]-pyrimidinone in the formation of the hydrogen bond in the dimers using the semiempirical method AM1. Ε. Ε. Ramos, C. O. Estevez, J. F. Estevez, J. Ortiz, J. G. Estevez 683. Analysis of discovery-based vs. exposi tory teaching methods in an all-woman, first-year, chemistry laboratory setting. L Wolf, L. Volaric 684. Applying the guided inquiry approach in the qualitative organic analysis experi ment. A. Maldonado, I. Montes 685. Cartoons for chemistry: Computer simu lations for complex concepts. J. L. Evans Jr., J. L Smith, S. E. Freemyer 686. Chem-2-Chem: Comprehensive statisti cal results. R. Baez-Galib, M. F. Acuna, W. Resto, H. Colon-Cruz, G. VicenteCrescioni, M. D. C. Sanchez, F. Abdal lah, M. Colon, A. Lebron, Y. Ortiz, F. Soto, M. Burgos, G. Vicente, I. Nieves, J. Velazquez, J. Vazquez, C. Cordero, D. Diaz, E. Calderon, Y. Ortiz 687. Controlling the LabWorks interface with palm PCs. M. E. Morgan, J. R. T. Bales, B. A. Rueter 688. Determining the effectiveness of computer-based tutorials as training devic es for analytical instrumentation. L. Wingard, L. Volaric 689. Development of a National Chemistry Week Kid's Fair for elementary students. G. Fiji, M. Ly, C. Wall, T. Bolanos 690. Development of a novel chemistry in structional toolbox. J. L. Evans Jr., S. E. Freemyer, J. L. Smith


691. Integration of environmental issues into high school science classes. A. Diener, V. R. Bryan 692. Interactive software and molecular visu alization. L. M. Coward, J. R. Appling 693. Nuclear education through interactive learning. L M. Arrigo 694. Organic Chem-2-Chem: A novel tutoring program in organic chemistry. L. A. Feliu, R. Baez-Galib, G. Vicente-Crescioni, Y. Naaldijk, D. Melendez 695. Peer-led team learning: Active learning strategies to support success in introduc tory chemistry courses. N. L. Flintoff, K. Shoop, B. Sommers, J. Wittwer, A. G. Cavinato 696. Promoting chemical education in the classroom through chemistry outreach at MSUM. C. J. Petersen, S. G. Dunkirk 697. Semiconducting polymers for multidisciplinary undergraduate education. M. Mey er, A. Merritt, J. Jones, J. Schaller, C. Watkins, K. Kingsbury, D. Braun 698. Synthesis of tris(methanol)hexa-pacetato-p3-oxo-triruthenium(ll) acetate: An undergraduate laboratory experiment. C. T. Lloyd, J. H. Wynne, G. W. Mushrush, K. M. Davies 699. Math and science Upward Bound Camp at B.S.C. J. M. Velazquez, J. Otero 700. Use of 13C NMR spectroscopy in under standing isomerism. R. Page, N. A. Van Draanen 701. Using phase-transfer catalysis in the first step of the synthesis of carpanone. O. L. Reiter, K. R. Cousins Analytical Chemistry Cosponsored with Society Committee on Education 702. Comparison of pigment analyses of paintings by members of the Taos Society of Artists. J. M. Labrie, C. Goshorn, L. M. Riehle, J. Eckelbarger, R. A. Pribush, R. P. Walson 703. Ionic chromatographic method for the analysis of anions in drinking water. L Martinez, L. Fuentes, Y. Sandoval, E. Nunez 704. Preparation and characterization of mixed oxide nanoparticles prepared by re active sputtering on amorphous Teflon. S. L. Smolinski, M. L. Myrick, J. Karanamuni, O. Soyemi 705. Absolute enthalpies of solvation of Na + and Mg + by acetonitrile determined by guided ion beam tandem mass spectrom etry and theoretical calculations. M. T. Rodgers, A. B. Valina 706. Colorectal cancer mutation detection using capillary electrophoresis. S. Sutton, G. Thomas, S. Soper 707. Determination of arsenic and mercury contamination on repatriated Native Amer ican artifacts. G. Wentworth, P. T. Pal mer, N. Caldararo 708. Pulsed plasma synthesis of superhydrophilic films. A. J. Griggs, V. Ley, R. B. Timmons 709. Reaction rates of tertiary alkyl halides. E. M. Larson, H. Y. Kim, Y. Arai, H. Lu cas, J. Butler 710. Source of apportionment of toxic organ ic compounds associated to fine aerosols in Carano, Puerto Rico. J. A. Rodriguez, R. Morales, O. Rosario, D. Reyes, B. Jimenez 711. Effect of R1 binding on the electrochem ical reduction of R2 in ribonucleotide re ductase. S. L. Roth, T. Zlateva, M. Stankovich 712. Role of active site residue arginine-218 in firefly luciferase bioluminescence. N. C. Portier, B. R. Branchini, R. A. Magyar, M. H. Murtiashaw 713. Tribromomethane in swimming pool wa ter. J. Otts, J. Hardee 714. Spectroscopic and calorimetric investi gations of gramicidin S: Temperaturedependent studies. D. M. Sperger, H. O'Donnell, R. Nascimento, G. C. Jones 715. Diffusion-ordered NMR and molecular modeling study of chiral polymerized sur factants. S. A. Wedge, K. F. Morris 716. Acid-base reaction chemistry within re verse micelles formed in liquids and su percritical C0 2 . J. L. Molloy, E. D. Niemeyer 717. Activity coefficients for the dot-com gen eration. A. Loflin, R. W. Clark, J. M. Bonicamp

718. Investigation of peptide-micelle associa tion equilibria by means of molecular mod eling, fluorescence quenching, and dif fusion-ordered NMR spectroscopy. E. A. Feyen, K. F. Morris 719. NMR investigation of peptide-micelle association equilibria. H. J. Nkulabi, K. F. Morris 720. Analysis of amyloid p-A4-related pep tides, amyloid protein fibrils, and their in teractions by capillary electrophoresis. D. P. Schrum, M. Worthington 721. Analysis of berberine hydrochloride en capsulated in a sol-gel matrix. D. H. Alex ander, M. O. Iwunze 722. Analysis of cuticular hydrocarbons of Formica exsectoides (Forel), (Hymenoptera: Formicidae) using gas chromatography/mass spectroscopy. J. M. O'Neill, G. S. Paulson, J. N. Richardson 723. Analysis of fountain pen inks by capil lary electrophoresis: A forensic science project. D. P. Schrum, D. Mueller 724. Analysis of fragrances using a new in strumental method. S. T. Patrick, C. C. Joyner, P. C. Chen 725. Analysis of scattering phenomena and penetration depth of SW/near-IR light in fish tissue. C. A. Fahlstrom, A. G. Cavi nato 726. Analysis of toasted Kentucky white oak using gas chromatography/mass spec trometry. A. Sample, G. Seebach 727. Atomic force microscopy of organosiloxane-modified spherical silica parti cles. E. A. Childress, C. H. Matthews, A. C. Friedli 728. Burn rates of fuel/oxidizer pyrotechnic compositions. C. J. Mocella, J. Conkling 729. Catalytic cracking of poly(ethylene terephthalate) by solid acid catalysts. M. Franzen, N. Hesse, R. L. White 730. Chemiluminescence detection in capil lary electrophoresis using an ultrafast cocatalyzed peroxyoxalate chemiluminescent reaction and electrokinetic reagent delivery. C. Kuyper, K. Denham, J. Mur ray, R. Milofsky, J. Dickson 731. Chemistry of art: Ceramic glazes with chromium and lead. A. Vogt, D. Selter, G. Seebach 732. Comparison of E. coli growth on gold wafers with various PAA and PAA/PEG layers. M. A. Wheeler, B. Kocsis, R. M. Crooks 733. Conformational effects on the mass spectrometry of peptides. A. J. Fincher, C. J. Cassady 734. D-Aspartic acid in microwaved vs. con ventionally heated milks and infant formu lae. P. Bradley, T. Edwards, Y. Garcia, M. Hernandez, R. Hernandez, R. Gaviria, M. Tsesarskaja, G. Fisher, E. Man 735. Detailed studies of matrix-analyte inter actions in matrix-assisted laser: Desorption ionization. E. Cast, G. Kinsel 736. Determination of 2,4-dichlorophenoxyacetic acid transport from a football field to a locker room using HPLC/DAD. A. G. Belova, A. C. Dema 737. Determination of hydrogen peroxide in ocean water using a chemiluminescent flow-injection analysis system. C. R. Mor gan, A. Burr, S. M. Theberge, D. W. King 738. Determination of lead in soil samples. M. Patel, H. Altmiller 739. Determination of methylmercury with SPME and capillary GC with electron cap ture detection. R. B. Ambler, D. R. Mc Dowell 740. Determination of solution and thin-film properties of octa-substituted phthalocyanines by electrochemical and LangmuirBlodgett techniques for solar cell applica tions. L. Y. Chow, J. F. Scott, E. J. O. At kinson 741. Development of a magneto-chromatographic technique using nanocomposite technology. J. A. Boettcher, L. E. Stephens 742. Discovery of bengamides S, T, U, and V. R. M. Valadao, P. Crews, Z. Thale


743. Effects of pH and dissolved organic ma terial on phosphate adsorption in soils. A. J. Dooms, C. J. Dunlap 744. Effects of thermal annealing on conduc tive colloidal Au multilayer films. A. Reindl, A. J. Osisek, J. N. Richardson 745. Electrochemical characterization of quinone-containing monolayers toward development of redox switches. D. M. Ash, S. L. Hiley 746. Exploring smog haze formation by solidphase microextraction analysis of compet itive absorption experiments. E. R. Black wood, L. P. Shelby, B. A. Gilbert, D. O. De Haan 747. Factors affecting sampling and analysis of chlorinated pesticides using solid-phase microextraction. D. W. Lehmpuhl, S. R. Hess, D. J. Troftgruben 748. Field extraction procedure for the analy sis of polycyclic aromatic hydrocarbons in environmental samples. H. J. Doyen, A. Bystol, J. Whitcomb, A. D. Campiglia 749. Flow injection analysis of superoxide in aqueous solution: A quantitative determi nation using the chemiluminescent probe MCLA. N. E. Boland, D. W. King 750. Free-radical intermediates in the Fe(ll)luminol chemiluminescence system: Appli cation to ultratrace analysis of Fe(ll). S. B. Lovitz, C. Xiao, D. W. King 751. Gas chromatographic analysis using FID detection of nicotine concentration in cigarette smoke particles. J. F. Grabowski Jr., A. de Souza-Goding, J. M. Van Doren 752. Headspace solvent microextraction. A. L. Theis, M. A. Jeannot 753. Hybrid rocket motor efficiency mea sured by OH absorption spectroscopy. M. W. Teague, A. D. Disch, A. M. Wright 754. Hydrophilic metalloporphyrins tethered to alkanethioate monolayers. D. A. Goldsheft, H. Van Ryswyk 755. ICP detection of copper and nickel in wastewater. J. Chor, H. Altmiller 756. Identification of natural varnishes by FTIR and fluorescence spectroscopy. E. Florczak, D. K. Ngy, L. J. Jones III 757. Immobilization of horseradish peroxi dase in poly(/>isopropyl acrylamide) deriv atives. D. N. Horoszewski, A. R. Guada lupe 758. Interaction of sulfanilamide with p-aminobenzoic acid. H. Agen-Davis, M. O. Iwunze 759. Investigation of the microenvironment surrounding model solutes randomly dis persed in poly(dimethylsiloxane). W. M. Hayter, E. D. Niemeyer 760. Iron-tannin complexation: A possible di etary method to prevent hemosiderosis in captive animals. V. J. Williams, J. Fan, W. Tramontano 761. Laser ionization/mass spectrometry: A probe for studying atmospheric chemistry. J. Hargrove, Z. Karpiel, D. Robichaud, R. Frechen, J. Middleton, C. Uranga, S. He witt 762. MALDI probes of protein/self-assembled monolayer interactions. A. D. George, G. R. Kinsel 763. Measurement of glutamate and aspar tate in protein hydrolysates without inter ference from glutamine and asparagine. R. N. MacCoss, M. J. MacCoss, D. E. Matthews 764. Measuring excipient-excipient interac tion using atomic force microscopy. R. O. Martinez, A. Morales 765. Mechanistic investigation of copper1,10-phenanthroline chemiluminescence. A. M. Isham, C. Xiao, D. W. King 766. Metal-containing particle incorporation into polyaniline. D. L. Bates 767. Mixed-valence properties of stacked metalloporphyrin oligomers. N. S. Joshi, H. Van Ryswyk 768. Modeling gas chromatographic retention mechanisms using ab initio molecular or bital calculations. H. L. S. Holmes, Ν. Μ. Trease, M. E. Pratt, T. D. Horvath, M. C. Milletti 769. Modeling peak profile asymmetry of ba sic compounds in reversed-phase highperformance liquid chromatography. J. R. Krance, B. J. Stanley 770. New method for in vitro determination of insulin fibrils formation. S. Flores-Torres Sr., E. Agdeppa, J. R. Barrio 771. Noninvasive drug detection on paper currency using Raman microspectroscopy. N. Wong Shi Kam, K. F. Schrum

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772. Oil of catnip by supercritical fluid extrac tion. J. P. Louey, H. Shaeffer, N. Peter sen, D. Salotti 773. Optimization of a continous zero-angle reflecting TOF mass spectrometer. J. Messerly, P. Trent, C. Hanson 774. Optimization of a fermentation method for white grape juice. S. Maupas, R. Cote, T. Bolanos 775. Oxidation of constituents in baby formu la. S. M. Brown, C. Josefson 776. Photochemistry of oligomeric analogs to conducting polymers. T. L. Gustafson, A. C. Blair, F. DeLucia Jr. 777. Photoinduced electron transfer across aerosol-OT reverse micellar interfaces. K. L McCann, M. L. Schwab, R. E. Riter 778. Phytochemical analysis and bioassay of lady's thumb {Polygonum persicaria). M. Waselus, L. D. Pedersen 779. Quantitative determination of hypochlo rite using voltammetry. A. Bergren, J. H. Brown 780. Reactions of alkali and inorganic halides with nitrogen and sulfur oxides using Ra man spectroscopy and AFM. C. L. Nel son, C. D. Zangmeister, J. E. Pemberton 781. Retention times in isothermal pressureprogrammed gas chromatography. J. A. Gerbec, T. M. Nahir 782. Simultaneous spectroscopic determina tion of transition-state metals. K.Tansiongco, H. Altmiller 783. Solvent microextraction combined with high-performance liquid chromatography. P. M. Tourand, M. A. Jeannot 784. SPE and H PLC solvent flow studies for dendrimeric sorbents. S. A. Henrie, J. L Fletcher 785. Study of charge-transfer mechanisms across bilayer membranes by scanning electrochemical microscopy. E. A. Hueske, A. J. Bard 786. Surface-enhanced Raman-scattering determination of nitrite and nitrate in natu ral waters at the picomolar level. Ε. Ζ. Gannon, B. Neely, B. D. Gilbert 787. Synergy and processivity in hydrolysis of cellulose by cellobiohydrolases I and II. V. P. Malyvanh, B. R. Evans, J. Wood ward 788. Synthesis and characterization of a uni versal potential standard: Ferrocenylimine polyethylene glycol. S. Martin, P. A. Mabrouk 789. Synthesis and characterization of two dirhodium complexes. K. K. Kutz, B. Han, J. Shao, Z. Ou, Κ. Kadish, J. L. Bear 790. Synthesis and mass spectrometric char acterization of aluminum-containing com pounds. P. A. Limbach, M. E. Griggs, C. Patrick, J. A. Ragas 791. Analysis of ancient Aztec clay and or ganic materials. H. Grounds 792. Qualitative and quantitative analysis of nitrocellulose lacquers using FTIR-ATR. A. E. Lindsey, A. K. Mccasland Keller 793. Use of Raman spectroscopy for the identification of plastics in the undergradu ate lab. S. A. Karnya, K. F. Schrum 794. Verification and optimization of a novel fluorescein formulation process to detect latent bloody prints on dark surfaces. S. S. Shiraga, A. T. Conrad, R. L. Schwartz, T. A. Trozzi 795. When two are better than one: Syner gistic separations using mixtures of macrocyclic glycopeptides. C. M. Rabai, S. R. Sumrall, T. J. Ward

A Catalysis • Chemistry & Computers • Environmental Issues M Materials lAr Medicinal & Pharmaceutical • Petroleum, Fuels & Related Chemistry ^ Presidential Series

94

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M A R C H 5,

2001

Physical Chemistry 796. Electrophysiological effects of ethosuximide. E. Hampton, D. Sherman 797. 1,1,2-Tetramethylcyclopropane ringopening kinetics: Some shocking results. K. Wilkinson, S. Wilkinson, S. Hughes, J. Schlier, B. L. Kalra, D. K. Lewis 798. Kinetics of the thermal isomerization of 1,1,2,2-tetramethylcyclopropane. J. Schli er, J. Cho, S. Hughes, V. Katsva, D. Mish, B. L. Kalra, D. K. Lewis 799. Adsorption of biomolecules onto polyelectrolyte multilayers: Adsorption kinetics and film morphology. S. M. Cheal, D. E. Gragson 800. Characterization of foams used in drill ing fluids. F. Harjo Jr., E. Ozbayoglu, N. Takach 801. Correlation effects on the electronic coupling element for electron transfer. S. Daniels, R. J. Cave 802. Dendrimers as templates in azo dye ag gregation. L. A. Perelman, Κ. Κ. Karukstis 803. Determination of the location of interac tion of ethanol in phosphatidylcholine uni lamellar vesicles using nuclear magnetic resonance spectroscopy. H. C. Gaede, C. B. Quinones, T. J. Malia 804. Determination of the rotational tempera ture and rovibrational spectrum of the ArCO van der Waals complex formed in a pulsed slit jet expansion. A. J. Anschutz, R. L. Gehrung, M. D. Schuder 805. Determining the human source of the most potent greenhouse gas: SF5CF3. E. E. Ferrenz, J. R. Forman, J. F. Faulk, A. S. Nichols, C. Arumainayagam 806. Dynamics studies of gas-phase photodissociation by time-resolved FTIR spec troscopy. M. Ortiz-Suarez, N. Morales, Y. Gong, M. Perez, B. R. Weiner 807. Effect of 1 -propanol on the photodegradation of CCI4 in aqueous solutions by Ti0 2 . P. J. Garabelli, L. M. Franson, L. B. Lewis 808. Effect of pH and concentration on the 254-nm photochemistry of adenosine: Re active precursors of the principal product, adenine. A. Diaz, C. Crespo, L. Martinez, A. Gonzalez, R. Arce 809. Withdrawn. 810. Effects of electrochemical cycling for lithium intercalation and removal on HOPG surfaces. A. M. Moore, Κ. Ε. John son 811. Effects of surfactants on single-bubble sonoluminescence: An interdisciplinary approach. E. J. Osburn Atkinson, D. Schnitzler, J. Murray, S. Bricher, B. Bradfield, J. Martinez, J. Nott 812. Electrical conductance of dilute lactic acid and sodium lactate solutions at ele vated temperatures and pressures. G. Zimmerman, J. Gadsden, K. Hevener, A. Locklayer, D. King 813. Electrochemistry and fluorescence spectroscopy of uranium compounds in room-temperature ionic liquids. J. C. Durivage, J. C. Vickery, D. A. Costa, W. J. Oldham Jr., W. H. Smith 814. Electrolyte effects on the morphology of the graphite electrode in Li-ion batteries studied by scanning electron microscopy. C. T. Veazey, K. E. Johnson 815. Energy decomposition analysis of hydrogen-bonding interactions. Η. Κ. Privett, Y. Mo, J. Gao Gao 816. Factors affecting the stability of foams used as drilling fluids. N. Rodrigues, A. Lourenco, N. E. Takach, F. Harjo Jr. 817. Fura-2 as a calcium chemosensor. K. M. Maner, L. Fuentes 818. Gas-phase reactions of transition-metal ions: Effects of electron configuration and size-to-charge ratio. K. M. Stone, L. M. Babcock, J. C. May 819. Hydrogen bonding in a series of alco hols with increasing hydrophobic nature. B. DeGuia, E. D. Siebert 820. Implementation of pulsed-laser-based nanosecond luminescence and pumpprobe experiments in the physical chemis try laboratory. R. D. Saito, R. Viswanathan 821. Insights into collisional energy transfer through classical trajectory calculations. R. L. Sansom, D. F. Coker, A. S. Mullin 822. Interactions between porphyrins and DNA studied by resonance Raman spec troscopy. S. Frey, J. de Paula 823. Internalization kinetics of CD14. J. A. Gegner, B. Retnasingham, H. Collins, D. Dunn, L. Dooley, J. Weber, M. Dantice

824. Investigation of gramicidin S using vi brational spectroscopy and semiempirical calculations. S. A. Broadbent, G. C. Jones Jr. 825. Investigation of the Grotthuss mecha nism via water conductivity. S. M. Wilson, G. C. Jones Jr. 826. Investigation of the photophysics of porphyrin-based macromolecules. Ν. Υ. Dolney, H. L. Anderson, T. Screen, T. Goodson III 827. Ion trap mass spectrometry of Ca and Sr hydroxide clusters. M. Meade, V. Mikealikov, A. Stace 828. Ion-molecule chemistry in boron tribromide cluster ions. D. A. Hales, N. Wil liams, B. Kautzman 829. Ion-molecule chemistry of boron tribromide cluster ion growth. D. A. Hales, B. Kautzman, N. Williams 830. Kinetic study of the effects of pH and temperature on the hydrolysis of 2-(4nitrophenyl)-3-(/V,/V-dimethylamino)-2butenenitrile. S. P. Messina, P. G. Jasien 831. Kinetics and mechanism of the reac tions of CI atoms with naphthalene. C. Quant, B. Nguyen, C. Frez, M. Luu, D. Robichaud, S. Hewitt 832. Laser-induced incandescence measure ments in turbulent ethylene diffusion flames. V. E. Curtis, T. M. Ticich, R. L. Vander Wal, M. W. Millard 833. Metachromatic dyes on oxides: New humidity-sensing materials. N. L. Littlefield, E. J. Puchkova, S. R. Coon 834. Modeling of laser excitation and energy redistribution in small molecules. J. Burns, K. Seu, B. L. Gourley 835. Modeling of the acetone-chloroform vapor-liquid equilibrium system. D. Gil ford, C. M. Greenlief 836. Molecular dynamics studies of aqueous anion interactions with uranyl-quartz sur face complexes. R. J. O'Brien III, J. A. Greathouse, R. T. Pabalan 837. Molecular modeling of calcium montmorillonite. E. W. Storm, J. A. Greathouse 838. On the importance of linear free-energy relationships in studying solvolytic behav ior. M. J. D'Souza, D. N. Kevill 839. Optically polarized 129Xe NMR study of model membranes. H. C. Gaede, E. J. Neelans, C. Leonard 840. Optimization of ion source for glow discharge/SIFT apparatus. L. H. Atwood, L. M. Babcock 841. Performance of an indenofluorene co polymer in organic light-emitting diodes. J. R. Murray, J. C. Scott, V. Y. Lee, R. D. Miller, D. Marsitzky 842. Phosphorescence of oxytocin and vaso pressin: A partial structure determination. J. Dragavon, K. Rousslang 843. Photolysis of p-nitrobenzoic acid on Agcoated Au colloidal metal films via surfaceenhanced Raman scattering at 633 nm. D. Laker, J. Mirkovic, B. D. Gilbert 844. Piezo-optic coefficients measured by a Michelson interferometric method and ex cess Gibbs energy measured by laser light scattering for binary mixtures of water or aniline with miscible alcohols. J. L. God win, G. R. Van Hecke 845. Profiling catanionic vesicles using fluo rescence spectroscopy. C. E. Devereaux, Κ. Κ. Karukstis 846. Reaction of Fe and Ni at intermediate energies. S. Liddick 847. Second harmonic rotational anisotropy of the (100), (110), and (111) faces of sili con and its relation to surface geometry. D. J. Solis, D. E. Gragson 848. Semiempirical studies of amine adsorbtion onto clay surfaces. J. W. Leitch, J. A. Greathouse 849. Solvent effects on the electronic absorp tion spectra of Reichardt's dye: An experi mental and computational study. L. L. We ber, P. G. Jasien 850. Spectroscopic characterization of mi crodomains within dendrimer-surfactant supramolecular assemblies: Single- and double-tailed surfactants. S. C. Thonstad, Κ. Κ. Karukstis 851. Spectroscopic investigation of CTAB/ SOS unilamellar vesicles. K. F. Goto, K. K. Karukstis 852. Withdrawn. 853. Spectroscopy of CuSe and comparisons with CuO and CuS. A. K. Lambeth, L. C. O'Brien 854. Studies in 3-D hydrophile-lipophile bal ance. C. M. Baldwin, J. T. Guthrie II

855. Study of the activation energy of the carbonyl release from a metal carbonyl complex. S. Lieb, C. Newman 856. Study of ultrathin multilayer polyelectrolyte films using a quartz-crystal microbal ance. M. F. Runyan, D. E. Gragson 857. Surface-enhanced Raman scattering using silver/gold alloy colloidal metal films. K. Godwin, B. D. Gilbert 858. Synthesis and characterization of alumi num nanocrystals: Steps toward a super conducting nanocrystal circuit. A. H. Kurtz, H. Park 859. Synthesis of a silicone polymer and cross-linking of acrylate pendent groups through vibrational overtone polymeriza tion. K. J. Wilson, D. Snavely, D. Mc Carthy 860. Temperature-dependent molar absorptivities for dicarbonyl compounds in water. J. A. Joens, J. C. Rodriguez 861. Thermodynamic studies of the selfassociation of sterically hindered tertiary alcohols through hydrogen bonding at low concentrations using near-IR spectrosco py. J. L. Humston, P. E. Rider 862. Tortuosity factor for permeant flow through a fractal solid. R. Garza-Lopez, L. E. Naya, J. J. Kozak 863. Ultrafast transient grating measure ments: Time resolved and frequency dis persed. K. A. Walowicz, I. Pastirk, M. Comstock, M. Dantus 864. Use of chemical monitors for detection and quantitation of excited-state Cu + ions in the gas phase. N. Adolf, L. M. Babcock Award Symposium: Harry Gray cosponsored with Division of Inorganic Chemistry (see page 131) + Technician Education in the 21st Century cosponsored with Division of Chemical Technicians (see page 99) M O N D A Y EVENING Convention Center Sails Pavilion Sci-Mix 8:00-10:00

M. Z. Hoffman, Organizer, Presiding 52, 54, 99, 71, 65, 72, 90, 66, 91, 102, 64, 63, 67, 101, 107, 68, 77, 79, 97, 105, 58, 116,106,100. See previous listings. Successful Student Affiliates Chapter Posters Cosponsored with Society Committee on Education

L. E. Garrison, Organizer, Presiding 865. What is the ACS scholars program? What does it take to become a scholar or a mentor? M. Delgado, R. Rohde 866. Broad spectrum of innovative activities worked by the ACS student affiliate pro gram at the University of Puerto Rico, Rio Piedras campus. S. Nanita, I. Montes 867. Chemical recipe of success. J. DeGuzman, C. Lomperski, J. Briones, L. Borer 868. High school student mentoring program facilitated by the University of Southern Maine Chemistry Club. A. Wilson, K. LaVasseur, H. Rodgers, J. McCormick, J. Seguin, A. Jarrg, F. Muehleisen, C. Pru dente, D. Crockett 869. Reactive National Chemistry Week. M. F. Acuna, G. Vicente-Crescioni, M. Vicente-Crescioni, Z. Rodriguez 870. Achievements and goals of the SMAACS organization. M. E. Banahan, K. M. Wojtas, E. M. Koelsch, A. J. Dooms, K. A. J. Wilson, K. M. Antol 871. Achieving the goals of the University of Central Oklahoma SAACS. L. Long, Q. V. Phan 872. ACS student affiliates chapter at Bridgewater State College: Showing the campus and community that chemistry is fun! H. Thomas, M. Thompson, T. Balin, A. Driscoll, B. Lacey, K. Moran, N. Thayer, K. Vincent, E. J. Brush 873. ACS student affiliates: Urban style! C. E. MacGowan, J. Hopkins, W. Lynch


874. Activities of the Texarkana College Chemistry Club/SAACS. C. Lynch, C. Ballard, J. Barker, R. Shipp 875. Adventures of the chemistry club of Saginaw Valley State University. K. A. Stawowy, R. Vedrode, D. R. Huntley, D. S. Karpovich 876. Aggie chemists: Making solutions in the 21st century. S. N. Liddick 877. Alchemist Club activities at Missouri Western State College. K. Brackman, T. Demmel 878. Outreach program performed by the chemistry club at the University of Southern Maine and designed to supplement the Maine Learning Results Program for high school science teachers. J. McCormick, J. Seguin, A. Jarrg, F. Muehleisen, D. Crockett, A. Wilson, K. LaVasseur, H. Rodgers, C. Prudente 879. Atomic activities of an outstanding student affiliates chapter. M. F. Acuna, G. Vicente-Crescioni, M. Colon 880. Banging balloons to show school spirit. D. Cummings 881. Becoming an element in the community: Montana Tech SAACS. J. Davenport, J. Weldon, J. Seitz, J. Norman, D. A. Coe, D. Hobbs, A. Stierle, D. B. Stierle 882. Boston University's Chemia: Rebuilding a success! R. L. Sansom 883. Budgeting from zero. C. D. King, J. H. MacNeil 884. Building future scientists. J. Butler, D. Buczala, C. Frederick, R. R. Bravo, D. Licata, S. Lyon, M. Merritt, A. Ryan, S. Seelig, S. Singh, B. Tang, R. Unruh 885. Cafe chemistry. E. Mangione, J. Simeone, E. Greenough, H. Scaeffer, R. Peters, M. Lauzon, V. George, S. McCann, C. Distefano, D. Valez, A. Minei, K. Haskell, L. Farber 886. Cameron University SAACS activities support chemistry. A. Tabatabai, J. Froude Jr., L. Hale, E. A. Nalley, C. Smith 887. Carroll College connects with scouting. M. K. Froemming, A. J. Anschutz, D. M. Cleveland, M. D. Schuder 888. Chemistry club at Southern Oregon University. C. Anderson 889. Chemistry club on campus and in the community: Activities of the 2000-2001 SIUE student affiliates chapter. M. J. Shaw, K. Zipfel, T. Zipfel, R. Buen, K. A. Johnson, M. Shabangi 890. Chemistry in the Bayou. V. E. Curtis, L. J. Sherry, K. M. Kruse, A. C. Robinson, T. M. Ticich 891. Chemistry matters at Washington College: Revival of the ACS student affiliates program. M. A. Bolcar 892. Chemistry phobia busters. D. Medina, R. Carol, Y. Serrano 893. Chemistry: Coming in through the kitchen. X. Murtoz, J. Suerez 894. CheMystery: Who dunnit? J. Loy, S. O. Ho, C. Yung, E. Hajimie, M. Ho, P. Chow, D. E. Harwell 895. Creative ways to celebrate NCW: Dress as your favorite element. B. A. Rydzewski, E. R. Blackwood, A. J. Fincher, M. D. Temple, R. B. Ambler 896. Developing student professional and academic skills for success. R. Morales, G. Laureano, I. Rosado-Lozada 897. Duquesne University student affiliates CISA program for 2000-2001. J . E. Knickelbein, G. C. Schott, E. Hampton, B. M. Ashead, P. Forward, M. Knecht, T. Schuerle, S. R. Davie, S. S. Matta 898. Eastern Oregon University student affiliates chapter. N. L. Flintoff, R. A. Hermens 899. Exciting chemical education through celebrations, community involvement, research, and lectures. E. L. Hunter, J. L. Higbee, L. M. Cox, J. R. Schultz 900. Get addicted to chemistry with the WMU SAACS chapter! D. L. Durkee, A. M. Marino, J. L. Zigterman 901. Getting involved: University of Georgia SAACS. J. Tillman, M. Neely 902. Hands-on chemistry magic through successful fundraising and chapter growth. K. A. Todd 903. How does the FIU-SA chapter collaborate? Let us show you the ways. J. Merilien, J. Chong, C. Almazan, C. M. Lopez, K. Dufeal, T. Lalla, Z. C. Morales-Martinez 904. Innovative activities grants. P. A. Vahjen 905. IVCC's spectrum of activités. L. L. Kazmierczak, A. K. Liddle, J. Lischewski, J. C. Smith, R. C. Byrne


906. Journey to an excited state: Feel the energy of Seton Hill. K. P. Shane, A. Yurcevich, A. M. Staub, C. L. Hanigan, E. Matz, J. Cipollini, S. Patel 907. Kids + chemistry = fun: University of Idaho student affiliates activities. J. M. Leitch, S. LaMont, K. Henscheid, J. Robinson, R. Rogers, N. R. Natale 908. KidsChemistry year 2: An extension of outreach series. N. Tuttle, R. Smith, I. Stewart, M. Miller, J. Chang, B. Singer, E. Hyun, J. Wachter, S. Harrison, P. Apel 909. Lighting up chemistry. R. Jenkins 910. Loyola Marymount University chemical society. C. Quinn, B. Novak, E. Wilson 911. LSU SAACS: The chemistry between us. C. M. Sayes, R. Dunn, P. Limbach 912. Making chemistry cool. D. A. Bagley 913. Making high school students more aware of the chemical field. L. A. Abrardo, M. Delivron, K. Paolino 914. MATC chapter chemistry education awareness and community service. B. R. Rubanka, Κ. Ε. Miller 915. MTSU SAACS activities in 2001: For mulating the future. E. A. Childress, Ε. Ε. Speckner, F. F. Minier, C. A. Cooley, M. L. Hagan, H. D. Arman, S. T. DechaUmphai, T. T. B. Le, G. D. White, A. C. Friedli 916. National Chemistry Week success with Barry University ACS student affiliates. C. Stujenske, C. Raele, Y. Garcia, V. Papadimitriou, J. Solano, G. Fisher 917. New developments in outreach activities of the ACS student affiliates at the State University of New York College at Oneonta. L. Mokay, S. Mooney, B. Albanese, T. Naples, A. Cemiglia, L. Johnson, J. M. Sullivan, D. A. Cornell, K. Romberg, J. L. Sager, M. C. Wells 918. Community involvement using chemical experiments. A. T. Schwartz Sr. 919. North Dakota State University chemistry club. R. R. Wertish, L. C. Kemmet 920. Partnerships: The keys to a successful student affiliates chapter. J. A. Ramos, A. T. Awad, S. Kopecky 921. Promoting chemistry through chemistry club. T. Lien, J. Greenley, A. Hutchenson 922. San Jose State student affiliates activi ties. R. Dees 923. Santa Clara University chemistry club: Our role in the community of science scholars. L. S. Brunauer, P. Dionisio, K. Gillis, C. Gonzalez, E. Orazem, R. Paez 924. Science club activities at Nazareth Col lege of Rochester. C. C. Amesbury, A. M. Amoia, T. A. Knoerzer 925. Science Outreach Program for Educa tion at Northwestern University. E. Y. Ma, J. J. Grbic, S. Nguyen, A. D. Ashton, O. P. Priest 926. Withdrawn. 927. SSU Chemistry Club: Explore the op portunities. S. Sadlo, S. Bergren, J. H. Brown 928. Striving for excellence through achieve ments. A. A. Villaloboz, C. E. Alvarez, P. Graves, R. Solis 929. Student affiliates make it a success at Mizzou. J. A. Rust 930. $10,000 Project. S. Jarnjevic, S. Gupta 931. Union University SAACS: Making a dif ference in the community. S. J. Mabry, M. S. Yau, J. K. Kropf, C. M. Baldwin, R. F. Johnston 932. University of Rochester Undergraduate Chemistry Council: Creating "bonds" be tween students, faculty, and the real world. Z. J. Tonzetich, L. J. Rothberg, A. Chambers, A. Ayub 933. Washington and Jefferson SAACS: Forming special bonds. C. L. Barnes, A. B. Adamek, T. A. Ruda, L. L. Moore 934. Wildcats on the prowl: University of Ari zona Chemistry Club. S. R. Halper, E. Ballard, J. Brekan, E. Jon, M. Kaplan 935. Wonderful, wacky world of the Manhat tan College/College of Mount Saint Vin cent SAACS chapter. A. Burns, V. J. Wil liams, K. Colacioppo 936. Y-Chem: Brigham Young University's student affiliates chapter. K. Jensen, J. McCready, T. Sabin, S. Matheson

Section C

TUESDAY MORNING Section A

San Diego Marriott Delmar

San Diego Marriott Marina D

NSF-Catalyzed Curriculum Development

Educating Elementary School Educators

S. H. Hixson,

Organizer

S. L. Phillips, Organizer, Presiding

V. M. Bragin,

Presiding

8:00—Introductory Remarks. 8:05—937. Integrative inquiry course exclu sively for preservice teachers. S. L. Phill ips, K. Stone 8:25—938. Big ideas in science: A first course for preservice teachers. T. Holme, J. Lewis, W. Kean 8:45—939. Depth vs. breadth: Do students learn chemistry concepts as well with inquiry-based methods as with traditional lecture methods? M. J. Sanger 9:05—940. Enriching the pedagogical con tent knowledge of preservice chemistry teachers. M. L. Miller, M. B. Nakhleh 9:25—941. Hands-on science training and modeling for elementary school teachers. D. A. Katz 9:45—Intermission. 9:55—942. Make it elementary! (with multisensory learning). L. J. Jones 10:15—943. Physical science professional development for in-service teachers. S. K. Lunsford, B. Basista 10:35—944. Saint Mary's College Teacher Science Institute: Teaching and learning by guided inquiry. D. A. McCarthy, J. J. Bellina 10:55—945. Science methods for elementa ry teachers at Adams State College. L. Sutphen, M. B. Jones, H. N. Dixon 11:15—946. Teaching real chemistry to ele mentary school teachers. A. Sarquis, L. Hogue 11:35—947. Science: Power laboratories of fered at Saint Mary's College. T. L. O. Barstis

Section Β San Diego Marriott Cardiff Teaching Analytical Chemistry in the New Century Cosponsored with Division of Analytical Chemistry

J. E. Pemberton, S. Van Bramer, Organizers S. Van Bramer, Presiding 8:15—Introductory Remarks. 8:20—948. Community-based environmental chemical analysis: Public service learning and case studies for instrumental analysis. J. A. Gardella Jr. 8:45—949. Can a research-based laboratory serve the needs of students in instrumen tal analysis? R. Mi lof sky 9:10—950. How salty are your chips? S. E. Groves, F. A. Settle Jr. 9:35—951. Bringing process analytical chem istry to the classroom. L. A. Melton, W. W. Henslee, J. P. Chauvel 10:00—Intermission. 10:10—952. Materials characterization proj ect: A student's view of problem-based learning. C. L. Nelson, J. CastroSanchez, J. E. Pemberton 10:35—953. Artful chemistry: Teaching ana lytical chemistry through the study of art objects. M. V. Merritt 11:00—954. Introducing electroanalytical methods into the undergraduate curricu lum. W. J. Pietro 11:25—Panel Discussion.


8:40—Introductory Remarks. 8:45—955. NSF programs to support under graduate education. R. K. Boggess, V. M. Bragin, S. H. Hixson 9:10—956. LUCID: A new model for computer-assisted instruction in chemis try. T. A. Wolfskill, D. M. Hanson, W. Huang 9:35—957. Networked virtual laboratory as a flexible learning environment for solution chemistry. D. Yaron, R. Freeland, D. Lange, J. Milton, M. Karabinos 10:00—Intermission. 10:10—958. Assessing problem-solving skills with gateway examinations. T. Holme 10:35—959. Organic chemistry text for firstyear students. I. D. Reingold 11:00—960. Virtual mass spectrometry labo ratory. J. J. Grabowski, M. E. Bier 11:25—961. Physical chemistry on-line: Es tablishment of a multi-institutional learning environment for physical chemistry stu dents. T. J. Zielinski

Section D San Diego Marriott Green New-Fangled Ideas On-Line and Distance Learning

C. A. Bailey, Organizer, Presiding 8:15—962. Getting the most from the use of electronic homework. J. D. Spain 8:40—963. Presentation of calculation-free problems via the Web. G. R. Wiger 9:05—964. Electronic text and WebCT-augmentation of traditional lecture: Scheme and data. R. M. S. Gregorius 9:30—965. WebCT: The good, the bad, and the possibilities. S. E. West 9:55—Intermission. 10:05—966. Internet-based testing in fresh man chemistry. C. H. Atwood, J. G. Mar tin, J. A. Caughran 10:30—967. Lecture, laboratory, and the World Wide Web: Striking the balance. J. Reeves, R. Casanova, D. Kimbrough, B. Heath 10:55—968. Distance-learning laboratories in introductory chemistry courses: Making the grade, missing the boat, and other cli ches. D. R. Kimbrough, J. Reeves 11:20—969. Creating an on-line class: Prior ities, pleasures, and pitfalls. W. Volland 11:45—Concluding Remarks. Award Symposium: Harry Gray cosponsored with Division of Inorganic Chemistry (see page 131)

TUESDAY AFTERNOON Section A San Diego Marriott Marina D Web-Assisted Learning in Chemistry Virtual Laboratory Experiments with the Web

R. D. Foust Jr., Organizer H. Freiser, Presiding 1:30—Introductory Remarks. 1:40—970. Virtual biochemistry laboratory at the Nobel e-Museum. S. Forsén 2:00—971. DVAction: A database of digital video and images available for the creation of multimedia laboratory materials. L. R. Hunsberger, M. C. Dougherty, R. B. Wilson, C. T. Jones, R. M. Klausmeyer 2:20—972. Web-based molecular-level inquiry laboratory activity. M. R. Abraham, J. I. Gelder, K. A. Haines 2:40—973. Web-based calculation aids for general chemistry laboratory: Help that follows students home. J. K. Nauman, J. Maxka 3:00—Intermission. 3:10—974. Using the Web as a virtual prelab for organic chemistry. F. J. Creegan C&EN/MARCH5.2001

95

CHED/CHASATECHNICAL PROGRAM

3:30—975. Laboratory support via the Web. G. R. Wiger 3:50—976. Computer-based "content" for Web-mediated general chemistry. S. K. Lower 4:10—977. Wireless Web and handheld computers in general, organic, and inor ganic chemistry. C. R. Ward, D. P. White, J. H. Reeves, J. B. Levy 5:00—Division Business Meeting.

Section Β San Diego Marriott Cardiff Teaching General Chemistry in the New Century Methodology and Curriculum

L. L. Jones, J. G. DeWitt, C. E. Berkman, J. V. Zeile, Organizers J. V. Zeile, Presiding

Section C San Diego Marriott Delmar Teaching Inorganic Chemistry in the New Century Cosponsored with Division of Inorganic Chemistry

P. Dorhout, Organizer, Presiding 1:00—Introductory Remarks. 1:05—985. Teaching solid-state chemistry using virtual reality. P. K. Dorhout 1:25—986. Integration of computational chem istry into the advanced inorganic chem istry laboratory. W. P. Anderson, J. B. Foresman 1:45—987. Inorganic synthesis for advanced undergraduates. J. Arnold 2:05—988. From the wood shop to crystal engineering: Teaching 3-D chemistry. J. D. Martin 2:25—989. National Science Foundation summer program in solid-state chemistry. R. B. Kaner, M. J. Sailor, M. E. Thompson 2:45—Intermission. 2:55—990. Bringing the frontiers of chemical research into the inorganic classroom. M. J. Geselbracht

A Catalysis •


•


Ν Materials "Jc Medicinal & Pharmaceutical •


^

Presidential Series

C&EN/

Section D Holiday Inn on the Bay Pacific Β & C

M A R C H 5, 2 0 0 1

11:10—1012. General chemistry kinetics ex periment based on conductance measure ments. T. E. Woerner, M. A. Rehder, A. L. Crumbliss 11:35—1013. Interactive laboratory report and grading with PCs. M-H. Kim, D. Manos, S-Y. Ly, T-K. Hong, W. L. Dickinson

Section C San Diego Marriott Delmar • Computational Chemistry and Molecular Modeling Instruction Introductory and Undergraduate Courses Cosponsored with Biotechnology Secretariat and Division of Computers in Chemistry

J. L. Nauss, Organizer, Presiding

Award Symposium in Honor of Barbara P. Sitzman

M. Z. Hoffman, Organizer

1:40—Introductory Remarks. 1:45—978. Using group learning and guided inquiry in general chemistry. R. S. Moog, J. N. Spencer 2:10—979. Guided inquiry at Duke Universi ty. M. A. Anderson, M. P. MontagueSmith 2:35—980. Peer-led team learning as a method to improve student attitudes and perceptions in science. M. Adamczeski, H. Fuller 3:00—Intermission. 3:10—981. Developing new strategies to en hance student learning in general chemis try. M. Z. Hoffman 3:35—982. Chemie im Kontext. A new ap proach to teaching chemistry. I. Parchmann, P. M. Nentwig 4:00—983. San Francisco State University's new general chemistry curriculum. C. E. Berkman, J. G. DeWitt, U. Simonis, R. J. Trautman, J. V. Zeile 4:25—984. Bringing systemic change to community college chemistry: Challenges and rewards. M. Villarba, C. Collins, J. Chadwick, J. Magner, T. Su

96

3:15—991. Inorganic experiments through the back door. J. M. Burlitch 3:35—992. Illustrations of the process and communication of scientific research using examples from materials science. A. B. Ellis, C. G. Widstrand, K. J. Nordell 3:55—993. Predicting the products of inor ganic reactions: A study of student perfor mance. J. C. Schott, G. M. Bodner 4:15—994. Inorganic "Jeopardy": Descriptive chemistry in a game show format. J. Van Houten 4:35—995. Inorganic materials education: Modifications for lifelong learning. W. E. Jones, C-J. Zhong, M. S. Whittingham, E. J. Cotts

M. P. Goodstein, Presiding 1:40—Introductory Remarks. 1:50—996. Award Address (James Bryant Conant Award in High School Chemistry Teaching, sponsored by Albemarle Corp.). Excellence in science teaching: How do we get there? B. P. Sitzman

WEDNESDAY MORNING Section A

8:30—Introductory Remarks. 8:40—1014. Molecular modeling of tran sition-state species. Β. Η. Nordstrom 9:10—1015. Exercises, assessment, and the results of assessment of Spartan. J. B. Ealy 9:40—1016. Quantum mechanics and the chemistry of materials. L. W. terHaar 10:10—Intermission. 10:20—1017. Electrostatic potential maps: Use and misuse. A. J. Shusterman 10:50—1018. Laboratory sequence in com putational methods for introductory chem istry. J. A. Cody, D. C. Wiser 11:20—1019. One inexpensive approach for incorporating molecular modeling into the undergraduate curriculum. W. P. Ander son


Section D

Web-Assisted Learning in Chemistry Nuts and Bolts: How to Get Started

San Diego Marriott Green Assessment: Mountain of Achievements or Slippery Slope

J. Maxka, Presiding 8:30—997. Better chemistry through Linux. G. E. Karcz, R. D. Foust Jr. 8:50—998. How many are too many? Manag ing on-line growing pains. D. G. Sauder, E. L. Harvey, M. H. Towns, T. J. Zielinski 9:10—999. Just-in-time teaching: A WWW window into the knowledge your students bring to your classroom. R. E. Blake, M. Curtis, C. Hutson 9:30—1000. Sticky situation: Organizing your web-site the sticky way. Ε. Κ. Shelley, R. D. Foust Jr. 9:50—Intermission. 10:00—1001. Do you see what I'm saying? J. Weien, R. D. Foust Jr. 10:20—1002. Does your information highway have Curb-Cuts? G. E. Karcz, R. D. Foust Jr. 10:40—1003. Evolution of a Web-based chemistry learning site. R. C. Banks 11:00—1004. From digital resource to on line course. F. O. Garces

Section Β San Diego Marriott Cardiff Teaching General Chemistry in the New Century Concepts and Topics

L. L. Jones, Presiding 8:00—Introductory Remarks. 8:05—1005. Bridging to the lab: Webdeliverable pre-lab thinking modules for general chemistry. R. Tasker, L. L. Jones, R. Sleet 8:30—1006. Advantages of animations. W. Volland 8:55—1007. Visualizing molecular orbitals, hydridization, and resonance, and periodic trends from the Caltech chemistry anima tion project. N. S. Lewis, N. Oldark 9:20—1008. Demystifying and clarifying the concept of chemical bonding. Y. V. Gankin, V. Y. Gankin 9:45—1009. Greasing the skids: Projects de signed to facilitate the use and assess ment of educational technologies. J. Reeves, C. R. Ward, D. White 10:10—Intermission. 10:20—1010. Chemistry is easy with mutliple intelligence learning. L. J. Jones 10:45—1011. Research experience expo sure for first-year university students. J. D. Evanseck, D. Malagon

J. Hill, Organizer, Presiding 8:10—Introductory Remarks. 8:15—1020. Getting started in program as sessment and evaluation. C. W. Bowen 8:35—1021. Program assessment: Closing one feedback loop and beginning another. M. S. Douglas, A. R. Jude, D. K. Reach, R. T. Swindell, F. L. Setliff 8:55—1022. Assessment planning in the California State University. J. C. Hill 9:15—1023. Outcomes assessment program at CSU San Bernardino. D. F. Maynard 9:35—1024. Outcomes assessment via the World Wide Web. G. R. Wiger, J. L. Lyle, H. L. Martinez, O. Seely Jr., N. Sturm 9:55—Intermission. 10:05—1025. Developing and implementing an assessment plan for an introductory chemistry course. M. A. Scharberg 10:25—1026. Lab assessment of the Wartburg College chemistry program. W. T. Zemke, D. C. Hampton, D. P. Drolet 10:45—1027. Placing students in general chemistry sequences: Seventeen years of using the 1981 ACS Toledo exam. J. R. Pipal, W. E. Bentz 11:05—1028. One model for large-scale as sessment: Advanced placement chemistry examination. W. R. Robinson 11:25—1029. Recreational testing. I. D. Eubanks 11:45—Concluding Remarks.

WEDNESDAY AFTERNOON Section A San Diego Marriott Marina D Web-Assisted Learning in Chemistry Web-Based Tutoring and Testing

2:10—1033. Web-based readiness testing for introductory science courses. J. Max ka, K. Falconer, B. Cruickshank, C. A. Maglione, C. L. Marshall 2:30—1034. GRADE 4: Graph recognition al gorithm developed for education. J. M. Salvador 2:50—Intermission. 3:00—1035. NMR spectroscopy learned and delivered on the Internet. A. Grushow, A. J. Brandolini 3:20—1036. Predicting 1 H NMR spectra of organic molecules. J. T. Ippoliti 3:40—1037. Assessment of student use of Web-based materials compared to class performance. D. R. Bedgood 4:00—1038. Organizing student assessment choices in large lecture sections with webbased databases. T. A. Holme

Section Β San Diego Marriott Cardiff Teaching Physical Chemistry in the New Century Cosponsored with Division of Physical Chemistry

R. W. Schwenz, T. J. Zielinski, Organizers T. J. Zielinski, Presiding 1:30—Introductory Remarks. 1:35—1039. Teaching physical chemistry through materials science. M. A. White 2:05—1040. Physical chemistry of photolith ography: Kinetics measurements and sim ulations at the nanoscale. F. A. Houle, W. D. Hinsberg 2:35—Intermission. 2:45—1041. Interdisciplinary approaches to teaching physical chemistry: A course on the physical basis of chemistry and biolo gy. J. de Paula 3:10—1042. Using current research to teach physical chemistry. G. C. Weaver 3:35—1043. Innovation and the need for evaluation. R. S. Cole, M. Towns 4:00—1044. Changing ACS DivCHED phys ical chemistry exam. R. W. Schwenz

Section C San Diego Marriott Delmar • Computational Chemistry and Molecular Modeling Instruction Upper-Level and Graduate Courses Cosponsored with Biotechnology Secretariat and Division of Computers in Chemistry

J. L. Nauss, Presiding 1:00—Introductory Remarks. 1:10—1045. Computational chemistry skills course. J. D. Madura, J. D. Evanseck 1:40—1046. Computational chemistry in un dergraduate instruction and research. K. D. Jordan 2:10—1047. Macromolecular modeling for computer novices. L. F. Ten Eyck 2:40—Intermission. 2:50—1048. Molecular modeling instruction at the University of Houston. J. M. Briggs 3:20—1049. Graduate-level molecular mod eling courses. D. Kosztin 3:50—1050. Molecular modeling in the un dergraduate curriculum. T. W. Shattuck, S. U. Dunham, D. W. King, S. U. Dunham, D. M. Thamattoor, J. T. Millard, B. P. Mundy, R. R. Conry, M. H. Hennessy 4:20—1051. Integration of Cerius2 and In sight 98 for biomaterials modeling instruc tion. A. H. Goldstein

J. I. Gelder, Presiding 1:00—Introductory Remarks. 1:10—1030. Investigation of student use of Web-based tutorial materials and under standing of chemistry concepts. W. J. Do novan, M. B. Nakhleh 1:30—1031. Web-assisted learning in the traditional classroom. S. E. Van Bramer 1:50—1032. OWL Web-based homework system: Improved student learning. W. J . Vining, B. Botch, R. O. Day, D. Hart, B. Woolf



Section D

Section C

San Diego Marriott Green

San Diego Marriott Delmar

Teaching Biochemistry in the New Century Cosponsored with Division of Biological Chemistry and Biotechnology Secretariat

Teaching Biochemistry in the New Century Cosponsored with Division of Biological Chemistry and Biotechnology Secretariat

M. A. Fisher, H. M. Gunderson, Organizers H. M. Gunderson, Presiding 1:30—Introductory Remarks. 1:35—1052. Developing a B.S. degree in biochemistry. J. L. Powers, V. L. H. Bevilacqua, L. L. Combs 2:00—1053. Development of an ACS-certified biochemistry degree. D. M. Stearns 2:25—1054. Role of thermodynamics in in troductory biochemistry. R. A. Alberty 2:50—Intermission. 3:00—1055. A biochemistry course designed for chemistry majors (and other majors?). M. Werth 1056. Withdrawn. 3:25—1057. Design an experiment. E. J. Levy 3:50—Concluding Remarks.

THURSDAY MORNING

8:30—Introductory Remarks. 8:35—1074. Java and XML: Powerful part ners for interactive learning in biochemis try. E. K. O'Neil, C. M. Grisham 9:00—1075. Longitudinal assessment of the active learning environment of an inquirybased biochemistry computer lab curricu lum. D. W. Sears 9:25—1076. Using computers to teach bio chemistry outside of the classroom. P. H. Draves 9:50—Intermission. 10:00—1077. New model for biochemistry I laboratory. V. L. H. Bevilacqua, J. L. Powers, D. P. Hurst, P. H. Reggio 10:25—1078. Research projects to prepare undergraduate biochemistry majors for graduate-level research. B. W. Hicks 1079. Withdrawn. 10:50—Concluding Remarks.

THURSDAY AFTERNOON


Section C San Diego Marriott Delmar

M. A. Fisher, Presiding

Section A

4:10—1095. Core of the new paradigm in graduate training in the physical sciences at UC Irvine: A graduate laboratory course in chemical and materials physics (ChaMP). B. D. Fahlman, V. A. Apkarian, P. Taborek

Section A

Laboratory Practical Exams and Other Hands-On Testing

D. A. Katz, Organizer, Presiding 1:00—Introductory Remarks. 1:05—1096. Laboratory practical exam and its applications to other small-scale test ing. D. A. Katz 1:25—1097. Small scale on a large scale: USNCO lab practicals. L. T. Eubanks 1:45—1098. Practical examinations in the or ganic chemistry laboratory. S. Reed 2:05—1099. Successful purifications in or ganic lab? Making it realistic to grade the practical exam. J. C. Leitzel, J. G. Young, Q. D. Shelby, R. Glowinski 2:25—Intermission. 2:35—1100. Use of laboratory practical ex ams in analytical chemistry and instrumen tal analysis to enhance the undergraduate experience. F. J. Novotny 2:55—1101. Hands-on testing: A mini-work shop. D. A. Katz


General Oral Papers

General Oral Papers

D. L. Pringle, Organizer, Presiding 8:30—1058. Need for multiple intelligence teaching. L. J. Jones 8:50—1059. Teach them through touch. L J. Jones 9:10—1060. Artificial intelligent chemistry laboratory. D-M. Shin, Y-T. Byun, J. H. Moon 9:30—1061. Instrumental analysis experi ment on the HPLC determination of tau rine in sports drinks. D. L Orth 9:50—1062. Joy of summer research. A. K. Bose, M. S. Manhas, S. Rumthao, S. N. Ganguly, A. H. Sharma, S. Fahrenholtz 10:10—1063. Liberal arts chemistry: A squandered opportunity. N. J. Tro 10:30—1064. Peer-led team learning in gen eral chemistry. A. Tenney 10:50—1065. Chemistry education in Cuba in the new century. H. L. Taft 11:10—1066. Equipment-of-the-month club: A field study report. A. K. Bose, A. H. Sharma, N. Makar, N. Lavlinskaia, B. Fer nandez


R. W. Schwenz, Presiding 8:30—Introductory Remarks. 8:35—1067. Electronic structure theory in the physical chemistry laboratory: Model ing of energies and spectra. J. B. Foresman 9:00—1068. Using symbolic mathematics in physical chemistry: The Mathcad docu ment collection. T. J. Zielinski 9:25—1069. Increasing use of personal com puters in physical chemistry courses. R. A. Alberty 9:50—1070. Preparing chemists for the com putationally intensive 21st century: An ex ample using Mathcad. W. T. Grubbs 10:15—Intermission. 10:25—1071. Engaging students in learning physical chemistry. D. M. Hanson 10:50—1072. Linking faculty and students through physical chemistry on-line. A. Grushow 11:15—1073. Group learning and guided in quiry in physical chemistry. J. N. Spencer, R. S. Moog

HTTP://PUBS. ACS.ORG/CEN

CHAS

D. L. Pringle, Presiding 1:00—1080. Teaching chem and biochem with mutiple intelligence methods. L J. Jones 1081. Withdrawn 1:20—1082. Comprehensible conception concerning chemical reactions. Y. V. Gankin, V. Y. Gankin 1:40—1083. Make your own polarizers from gel glue. J. M. Salvador 2:00—1084. Building for the future: Expand ing your horizons in science and mathe matics in middle Tennessee. J. M. IriarteGross 2:20—1085. Characterization of polyindole. I-U. Haque, R. Hussain 2:40—1086. Geometric control of reduction potential in oxomolybdenum centers: Im plications to the serine coordination in DMSO reductase. S. R. Davie, P. Basu, N. Rubie, C. J. Carrano, M. L. Kirk, B. S. Hammes 3:00—1087. Pentacoordinated AB5-type main-group molecules favorably adopt sp2 hybridization in the central atom: Bonding without d-orbital participation. X. Sun


A. Grushow, Presiding 1:00—Introductory Remarks. 1:05—1088. Integrating computational chem istry into the physical chemistry laboratory: A "wet" lab/"dry" lab experience. S. A. Schaertel, M. E. Karpen, J. Henderleiter 1:30—1089. Using molecular dynamicsbased free-energy simulations to teach thermodynamics. M. E. Karpen 1:55—1090. Applied physical chemistry problems. J. I. Selco, T. L. Longin 2:20—1091. Tallest person in the world. H. Harris 2:45—Intermission. 2:55—1092. Pollution police. J. I. Selco, J. L. Beery 3:20—1093. Nobel Prize-winning chemistry: An experimental module in conducting polymers. K. M. Kulinowski, J. R. Loscutova, J. E. Kacher 3:45—1094. Nonlinear Raman spectroscopy in undergraduate curriculum. R. Kalyanaraman, C. Thompson

MONDAY MORNING San Diego Marriott Atlanta Developing Training Programs for Use in Academia and the Workplace

W. K. Kingsley, Organizer 8:00—Introductory Remarks. 8:05—7. Survey of over 70 university and workplace safety training practices. W. K. Kingsley, R. Stuart 8:30—8. Safety survival skills at the Centers for Disease Control & Prevention: From the classroom to the Web room. R. J. Green, P. W. Galloway, R. H. Hill Jr. 8:55—9. Safety training programs for the in dustrial research laboratory. K. P. Fiviz zani 9:20—10. Laboratory safety training for the Northern Arizona University chemistry de partment: A hands-on approach. J. K. Nauman 9:45—11. Preparing a chemical emergency response training program for in-house use. N. Langerman 10:10—Intermission. 10:20—12. Restroom postings: An effective means to communicate safety. A. V. Bayless 10:45—13. Safely educating undergraduate laboratory students: Why we work with the Web. J. G. Palmer, S. M. Kennedy 11:10—14. Using humor in laboratory safety training. B. Greene, H. Beeson 11:35—15. Waste management in under graduate laboratories of the Chemistry In stitute of UNICAMP/Brazil. R. C. C. M. Micaroni, M. I. M. S. Bueno, W. F. Jardim 12:00—Concluding Remarks.

MONDAY AFTERNOON San Diego Marriott Atlanta

DIVISION OF CHEMICAL HEALTH & SAFETY J. Kapin, Program Chair

SOCIAL EVENTS: Executive Committee Sun Social Hour, Mon Programming Committee, Tue Board Meeting, Tue BUSINESS MEETING: Tue

SUNDAY AFTERNOON San Diego Marriott Atlanta Handbook of Chemical Safety

R. J. Alaimo, Organizer 1:00—Introductory Remarks. 1:10—1. Applications of laboratory ergonom ics. J. Kerst 1:30—2. Chemical laboratory safety training. K. P. Fivizzani 1:50—3. Large ΔΡ creates a non-ideal gas. G. Whitmyre 2:10—Intermission. 2:30—4. Corrosives and their consequences. J. A. Young 2:50—5. Preparing for the unexpected cryo genic hazards. G. Whitmyre 3:10—6. Disposal of chemical wastes. R. W. Phifer 3:30—Concluding Remarks.


Handbook of Chemical Safety

R. J. Alaimo, Organizer 1:00—Introductory Remarks. 1:10—16. Industrial hygiene exposure as sessment: Data collection and manage ment. P. Hewett 1:40—17. Industrial hygiene exposure as sessment: Analysis and interpretation. P. Hewett 2:10—18. Environmental controls and liabili ties. J. Harless 2:40—Intermission. 3:00—19. Flood contingency plans. R. A. Hathaway 3:30—20. Research laboratory building de sign. J. S. Baum 4:00—21. Chemical hygiene plan: Ten years later. G. H. Wahl 4:30—Concluding Remarks.

TUESDAY MORNING San Diego Marriott Atlanta/Chicago Industrial Hygiene Perspectives on Lab Safety

A. Graham, Organizer 8:00—Introductory Remarks. 8:05—22. Assessing laboratory chemical ex posures in an academic and biomedical research setting. J. I. Parham, R. G. Costello, R. J. Emery, K. D. Cavender 8:30—23. Risk assessment tool for laborato ry use (LAB RAT). N. Langerman 8:55—24. Techniques to control chemical exposures. J. A. Silvers 9:20—25. Industrial hygiene monitoring for laboratories. J. Stedman-Lyde 9:45—26. Integration of safety programs continued: Daily on-call program. D. M. Decker 10:10—Intermission. 10:20—27. Experiences in mercury spill cleanup at UCLA. J. Raab 10:45—28. Bioterrorism and select agent toxins. R. H. Hill Jr., M. L Hemphill, J. Y. Richmond 11:10—29. Industrial hygiene findings in Navy labs. A. Graham 11:35—30. County of San Diego hazardous incident response team. N. Vent 12:00—Concluding Remarks.

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TUESDAY AFTERNOON San Diego Marriott Atlanta/Chicago

2:30—15. MapMaker: A tool for productbased library optimization. J. I. Manches ter, R. A. Czerminski, J. Patterson, D. S. Hartsough 3:00—16. Web tools for library design. M. Bradley 3:30—17. Web-based tools for compound selection, library design, and compound acquisition. A. R. Leach

CINF

Safety Issues in Combinatorial Chemistry

N. Langerman, Organizer 2:00—Introductory Remarks. 2:05—31. Evolution of combinatorial chemis try. L. P. Eastman 2:35—32. Discover the energetic aspect of molecules in early development. B. Fan 3:05—Intermission. 3:25—33. Safety engineering during the de sign of the IRORI Autowash 10K. N. Langerman 3:55—34. Hazardous waste minimization and management related to combinatorial chemistry processes. M. Colburn 4:25—Panel Discussion. San Diego Marriott Torrey 5:00 Division Business Meeting.

San Diego Marriott Atlanta/Chicago

MONDAY MORNING

R. W. Snyder, Program Chair

Technical Intelligence Cosponsored with Division of Chemistry & The Law and Division of Industrial & Engineering Chemistry

OTHER SYMPOSIA OF INTEREST:

S-K. Lin, P. F. Rusch, Organizers

T. Trippe, Organizer

Designing Focused Libraries for Drug Discovery: Hit to Lead to Drug (see Division of Computers in Chemistry, Mon, Tue, page 108)

9:00—18. Future of electronic chemistry pub lication. S. M. Bachrach 9:30—19. Science of synthesis: Transforma tion of a classical tertiary reference work for synthetic chemistry into a comprehen sive electronic source of evaluated infor mation. G. F. Herrmann 10:00—20. Stanford University's HighWire Press: Continuing to raise the bar in elec tronic journal publishing. V. Reich, G. A. Baysinger 10:30—21. Supplementing full-text journals with factual databases. J. Rumble Jr., A. Y. Lee, D. Blakeslee, S. Young 11:00—22. Electronic chemistry publication in China. W. Zhao, R. Xu, S-K. Lin

8:30—34. New technologies supporting tech nical intelligence. A. J. Trippe 9:15—35. Role of technical intelligence in re search selection and assessment: A study of 20 chemical firms. M. E. Rerek 10:00—36. Coaching, mentoring, consulting roles in technical intelligence. S. P. Cristina 10:45—37. Market strategy using patent data analysis. M. D. Bauer

BUSINESS MEETING: Mon

R. Vernon, J. M. Kapin, Organizers

SUNDAY MORNING

8:00—Introductory Remarks. 8:05—35. Laboratory health and safety on the Web at BGSU. R. Murphy 8:30—36. Case study on the opportunities and benefits of technology for chemical management. T. Diamantidis, A. Logan 8:55—37. Chemical inventory management and tracking via the Web: Wishful thinking or practical reality? L. M. Gibbs 9:20—38. College of Chemistry at UC Berke ley on-line health and safety manual: An efficient method of communicating safety and health information in a multidisciplinary setting. K. W. Dreger 9:45—Intermission. 10:00—39. Chemical safety resources (and other good stuff) at www.ehs.ucdavis.edu. D. M. Decker 10:25—40. Customer-centered website. P. C. Koger 10:50—41. Crusading for safety through the UC Santa Cruz EH&S website. L. F. Mor ris 11:15—42. Health and safety websites com pared. R. N. Vernon 11:40—Panel Discussion.

Hyatt Regency Regency C Web-Based Information Sources

R. W. Snyder, J. C. Holt, Organizers 8:30—1. Keynote Address. Chemical infor mation and the Web: Past, present, and future. S. R. Heller 9:00—2. Universal approach to Web-based chemistry using XML and CML. P. Murray-Rust, H. S. Rzepa, M. Wright 9:30—3. ChemGuide and PublishersGuide: A novel portal concept. R. Deplanque, J. T. Bohlen, M. Langner 10:00—4. From custom R&D Web imple mentations to fully operational e-commerce sites: Technology and examples. S. Ash, J. Bandy 10:30—5. Traditional on-line services vs. the Web: Do you get what you pay for? R. A. Wolff, E. Shanbrom 11:00—6. NIST computational chemistry comparison and benchmark database. R. D. Johnson III

SUNDAY AFTERNOON

WEDNESDAY AFTERNOON

Section A Hyatt Regency Regency C

• New Techniques in Occupational and Environmental Exposure Assessment and Control L. Willmon,

Organizer

98

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M A R C H 5,

Electronic Chemistry Publishing Cosponsored with Chemical Structure Association S-K. Lin, P. F. Rusch,

1:00—Introductory Remarks. 1:10—43. Practical aspects of setting occu pational exposure limits for pharmaceuti cals. R. H. Ku 1:35—44. Solvent stills in academic research laboratories: A comparison of old and new technologies. S. F. Pedersen, K. W. Dre ger 2:00—45. Code compliance issues associat ed with solvent drying systems. R. Benton 2:25-^46. Developing a mercury thermome ter exchange program to minimize labora tory mercury exposures. L. McLouth 2:50—Intermission. 3:15—47. Efficacy of hexafluorine decontam ination for treating hydrofluoric acid burns. A. H. Hall 3:40—48. Noninvasive diagnostic instrument measuring ethane and pentane expired air. L. Owusu, T. Weber, D. Chatfield 4:05—49. Parotid saliva as biomarker to monitor environmental exposure. W. Wu, T. Weber, D. Chatfield, J. Cornejo-Bravo 4:30—50. Validation of a new colorimetric perchloroethylene measurement system as a method of detecting vapor concentra tion in air. L. A. Willmon, B. Samimi, D. Chatfield, J. Alcaraz 4:55—Concluding Remarks.

2001

Hyatt Regency Regency C


Electronic Chemistry Publishing Cosponsored with Chemical Structure Association

Winning Approaches to Chemical Safety on the Web

San Diego Marriott Atlanta/Chicago

TUESDAY MORNING Section A

DIVISION OF CHEMICAL INFORMATION

SOCIAL EVENTS: Reception, Sun Luncheon, Tue

WEDNESDAY MORNING

32. Online journal Molecules: Five years of experience. S-K. Lin, D. J. McPhee 33. Pharmacophore models for identification of environmental estrogens. Q. Xie, W. Tong, H. Fang, H. Hong, R. Perkins, D. M. Sheehan

Biotechnology and Pharmaceutical Patents cosponsored with Biotechnology Secretariat (see page 69)

Section Β Hyatt Regency Regency D Web-Based Information Sources

R. W. Snyder, J. C. Holt, Organizers 1:00—12. SPARK: A tool for discovering structure-property-activity relationship knowledge. Y. Martin, J. Delazzer, E. Danaher 1:30—13. Text and (con)text in molecular vi sualization. F. T. Marchese 2:00—14. Dymond linking: Point-and-click structure and reaction searching. A. Lawson, C. Leonard

Advances in 3-D Searching and Pharmacophores: Applications Cosponsored with Division of Computers in Chemistry and Division of Medicinal Chemistry

MONDAY AFTERNOON

O. F. Giiner, Organizer


8:30—38. Development and application of pharmacophore model of BK openers and blockers. Κ. Η. Kim 9:00—39. Combiphores: Combining ligandbased and structure-based pharmaco phores. R. Griffith, J. B. Bremner, P. A. Keller 9:30—40. Pharmacophore modeling investi gation of all-trans retinoic acid inhibitors. O. O. Clement, V. C. O. Njar 10:00—41. Pharmacophore-based molecular docking. D.Joseph-McCarthy, B. E.Thom as III, J. C. Alvarez 10:30—42. Using molecular dynamics to ex plain and predict the differences in affini ties of two series of radiometal-cyclized hormone analogs. A. L. Perryman, T. P. Quinn 11:00—43. Multiple binding modes in Co MFA. S. Balaz, V. Lukacova 11:30—44. Design and synthesis of novel nonsteroidal anti-inflammatory drug of high selectivity to human cyclooxygenase-2 on the basis of QSAR studies. T. M. El-Gogary, Y. Shérif, G. Dahab, M. Attia, M. Kabil

Electronic Chemistry Publishing Cosponsored with Chemical Structure Association

S-K. Lin, P. F. Rusch, Organizers 1:30—23. Electronic conference on synthetic organic chemistry. S-K. Lin, A. Gutnov, S. Lin, C. D. Nager 2:00—24. Hunting for free chemical journal articles on the World Wide Web. S. Yu 2:30—25. Ullmann's Encyclopedia of Indus trial Chemistry. From print to electronic. A. Eckerle 26. Withdrawn. 27. Withdrawn. 4:00—Division Business Meeting. 4:30—Open Meeting. Committee on Publications and Committee on Chemical Abstracts Service. R. W. Snyder Pharma Informatics: Integration of Bioinformatics and Cheminformatics cosponsored with Biotechnology Secretariat (see page 69)

Organizers

1:30—7. Chemistry preprint server: A revolu tion in chemistry communication. J. R. Weeks, B. A. Vickery 2:00—8. Electronic journals from the Royal Society of Chemistry. J. S. Humphrey, R. Parker 2:3fJ—9. Electronic chemistry conferences: Seven years of CONFCHEM. S. E. Van Bramer, D. Rosenthal, B. Tissue 3:00—10. Electronic chemistry publishing: A librarian's perspective. D. L. Roth, K. Doug las 3:30—11. Integrated Web publications for crystallography. B. McMahon

Section Β Hyatt Regency Regency D

MONDAY EVENING Convention Center Sails Pavilion Sci-Mix

R. W. Snyder, Organizer 8:00-10:00 28. Artificial neural network model of MDCK cell permeability. B. Steere, R. Fraczkiewicz, L. Takahashi, L. Salphati, M. B. Bolger 29. Application of the electron-conformational method of pharmacophore identification and bioactivity prediction to group I metabotropic glutamate receptors. E. Rosines, I. B. Bersuker, J. E. Boggs 30. Bringing decision-making computational chemistry tools to the combinatorial chem ist's desktop. M. R. Frierson III, M. R. Frierson 31. CoMFA and CoMSIA 3-D QSAR studies of epidermal growth factor receptor ty rosine kinase inhibitors. J. K. Buolamwini, H. Assefa

TUESDAY AFTERNOON Section A Hyatt Regency Regency C Technical Intelligence Cosponsored with Division of Chemistry & The Law and Division of Industrial & Engineering Chemistry T. Trippe, Organizer 2:00—45. Application of benchmarking, gap, and technology analysis. M. M. Coburn, M. M. Matteo, D. J. Greenwood



2:45—46. Do patent models reveal techno logical capabilities? J. Klavans 3:30—47. Patent analysis as science and art: Why you should hire a consultant to help with your patent analysis. M. E. Mogee, A. Breitzman 4:15—48. Identifying undervalued compa nies via patent analysis as a means of highlighting merger/acquisition targets. A. F. Breitzman Sr., P. Thomas

Section Β Hyatt Regency Regency D Advances in 3-D Searching and Pharmacophores: Novel Approaches Cosponsored with Division of Computers in Chemistry and Division of Medicinal Chemistry

O. F. Giiner, Organizer 1:30—49. Identification of molecular reactive sites with an interactive volume rendering tool. P. J. MacDougall, C. E. Henze 2:00—50. Shape- and feature-based ap proach to virtual library and database screening. S. Putta, C. Lemmen, J. Greene, P. Beroza 2:30—51. Modeling of ion complexation and extraction using substructural molecular fragments method. A. Varnek, G. Wipff, V. Soloviev 3:00—52. Drug-receptor interaction features in pharmacophore identification. I. B. Bersuker 3:30—53. Topomer shape similarity search ing of familiar compound databases. R. D. Cramer, R. Jilek 4:00—54. Enhancements in catalyst confor mational model generation: Scientific and testing considerations. C. Freeman, J. Li, J. Sutter, M. Waldman 4:30—55. On validating 3-D diversity meth ods: Introducing total pharmacophore di versity. G. Makara, E. Wintner 5:00—56. OSPPREYS: An oriented substitu ent pharmacophore property space. E. J. Martin, T. J. Hoeffel

WEDNESDAY MORNING Section A Hyatt Regency Manchester C Technical Intelligence Cosponsored with Division of Chemistry & The Law and Division of Industrial & Engineering Chemistry

T. Trippe, Organizer 8:30—57. Application of text mining in strate gic technical planning. P. Frey, N. New man, R. J. Watts, A. L. Porter 9:00—58. Beyond searching: Organizing, an alyzing, and presenting patents with Bizlnt Smart Charts for Patents. D. Q. Webb, J. A. Willmore 9:30—59. Pharmaceutical intelligence: Disin formation from press releases? P. R. Steele 10:00—60. Patent analysis via "morphogenetic patent sets." T. E. Clifton III, D. J. Pratt 10:30—61. Using IFI's Concordance of IPC to US Patent Classification to enhance patent analysis. D. K. Slaughter, H. M. Allcock 11:00—62. Patent analysis tools to explore potential R&D projects: Are lead-free prod ucts an important new thrust for the elec tronics marketplace? L. D. Schwartz

Section Β

8:3rj—64. Structure-based data-mining soft ware for correlating compound classes and gene expression. P. E. Blower, C. Yang 9:00—65. Application of statistical methods to the prediction of B3LYP-optimized poly hedral water cluster geometries. D. J. Anick 9:30—66. Asymmetric similarity in action. C. J. Blankley, D. J. Wild 10:00—67. Effective analysis of data-mining results. M. Waldman, O. F. Giiner 10:30—68. Inductive identification of good partial match queries for 3-D flex search ing. R. D. Clark, E. Abrahamian, P. Fox, T. W. Heritage 11:00—69. Feature selection for chemical structure data mining using MDL keys. D. R. Henry, T. M. Albert, D. E. Nassau, J. L. Durant 11:30—70. Analyzing reaction information for combinatorial chemistry. J. Gasteiger, O. Sacher, A. Herwig

WEDNESDAY AFTERNOON Section A Hyatt Regency Manchester C Technical Intelligence Cosponsored with Division of Chemistry & The Law and Division of Industrial & Engineering Chemistry

1:30—71. Defensive publishing: The key to gaining and keeping the competitive ad vantage. R. Cantrell 2:15—72. Ugly symmetry: Revised informa tion theory and its application. S-K. Lin 3:00—73. Intelligent queries by using uncer tainty knowledge base system. M. Fathi, R. Hosseini 3:45—74. Who's researching the research ers: Practicing safe surf. J. Duberman

Section Β

Structure-Based Data Mining Cosponsored with Division of Computers in Chemistry and Division of Medicinal Chemistry

R. W. Snyder, Organizer 1:00—75. Unlocking corporate data stores with a decision analytics framework for technical decision making. S. Kenner 1:30—76. Virtual screening: How are we do ing? M. E. Snow, J. Dunbar, L. Narasimhan, C. Humblet 2:00—77. New perspectives in virtual highthroughput screening. J. R. Chretien, M. Pintore, F. Ros 2:30—78. Virtual screening: Is data mining up to the challenge? G. S. Cowan, A. Calvet, K. Johnson 3:00—79. Automated database tool for ana lyzing screening hits. J. Shen 3:30—80. SIV: A synergistic approach to the analysis of high-throughput screening data. A. R. Leach, D. V. S. Green, M. M. Hann, G. Harper, A. R. Whittington 4:00—81. Structure-based data mining of high-throughput screening data. S. Reiling 4:30—82. Impacting PhysChem property prediction and chromatography simulation with user training. R. S. DeWitte, M. McBrien, E. Kolovanov

THURSDAY MORNING

Structure-Based Data Mining Cosponsored with Division of Computers in Chemistry and Division of Medicinal Chemistry

General Papers


Hyatt Regency Regency C General Papers

R. W. Snyder, Organizer 1:00—88. Impact of aggregation, navigation, and the new economy on research infor mation. D. J. Brown 1:30—89. B2B electronic commerce and the chemical industry. G. Moritz 2:00—90. Advances in CML application. A. Dransfeld 2:30—91. LABTrack: Introducing a legal electronic lab notebook. R. M. Stember 3:00—92. Migrating successful CD products to the Web: Challenge or opportunity? F. Macdonald, D. Proctor

TECH

R. W. Snyder, Organizer 9:00—83. Adaptive evolutionary design of "fast-follower" structures. G. Schneider 9:30—84. Automated computational method for forward synthesis. W. J. Mydlowec, J. Yu, G. Lanza

MONDAY AFTERNOON San Diego Marriott San Francisco * Technician Education in the 21st Century Cosponsored with Division of Chemical Education

C. J. Murphy, Organizer 1:00—Introductory Remarks. 1:05—7. Chemical Technology Program Ap proval Service: An ACS approval service for two-year chemical technology pro grams. E. R. Fisher, J. W. S. Stevenson 1:30—8. Enrollment trends in community col lege chemical technology programs: A new analysis. J. V. Kenkel, D. Coulson 1:55—9. Connecticut's College of Technolo gy: A collaborative initiative between high er education and industry. K. WosczynaBirch 2:20—Intermission. 2:30—10. Thirty years and still going strong: The Chemical Technology Program at St. Louis Community College at Florissant Valley. D. G. Friedman 2:55—11. Use of the ACS Voluntary Industry Skill Standards to design analytical labora tory curricula. C. L. White, K. D. Hughes, R. Hofstader 3:20—12. Science in a Technical World: A new ACS curriculum for high school stu dents. M. J. Tinnesand 3:45—Concluding Remarks.


A. M. Lanzafame, Organizer

DIVISION OF CHEMICAL TECHNICIANS D. M. Butterfield, Program Chair

Hyatt Regency Manchester D


R. W. Snyder, Organizer

THURSDAY AFTERNOON

T. Trippe, Organizer

Hyatt Regency Manchester D

8:00—63. Automated mining of protein struc tural similarities using reduced variable representations. V. Karlov, D. Beglov, E. Koistinen, D. Timotijevic, C. Padilla, J. Zheng, K. Ramnarayan

10:00—85. Comparison of the DOCK and CHARMm-dock in various protein-ligand complexes. M. Jalaie, M. Vieth, D. H. Robertson, J. A. Erickson 10:30—86. Identifying common mechanisms of toxicity groups for pesticides. P. M. Wagner, R. B. Perfetti 11:00—87. Validation study of conformer generators using PDB ligand structures. D. H. Robertson, M. Jalaie, D. J. Cum mins, M. Vieth

SOCIAL EVENTS: Luncheon, Sun Workshop/Breakfast, Tue Dinner, Tue BUSINESS MEETING: Sun, Tue, Wed, Thu

MONDAY MORNING San Diego Marriott San Francisco * Technician Education in the 21st Century Cosponsored with Division of Chemical Education

C. J. Murphy, Organizer 8:30—Introductory Remarks. 8:35—1. Only the shadow(er) knows. C. A. Hinkfuss, P. K. Chvilicek, D. S. Hilgers 9:00—2. How can gap analysis be modified to serve as a tool for designing a profes sional development plan for chemical technicians? O. G. Gaglione, J. W. Ros en, J. V. Kenkel 9:25—3. PACT Research Profile Project. A. M. Sarquis, L. Hogue 9:50—Intermission. 10:00—4. Calling all techs! Calling all techs! Submit your stories here. J. V. Kenkel 10:25—5. Foundations for the future: Les sons learned from building industry/ education alliances in the chemical pro cess industries. J. W. S. Stevenson 10:50—6. Promotion of a qualified chemical process technology workforce: The steady growth of an alliance. J. M. Sabourin 11:15—Concluding Remarks.

8:00-10:00 13. Student group activities: An important component of the learning experience in a chemical technology program. K. Lauer, K. Hayden, M. Fritz, R. Soman 14. Adventures in chemistry and physics. T. E. Wilson, D. L. Janes 15. What is a TAG? A. M. Lanzafame, T. Schank, D. M. Butterfield 16. TECHnicians make it happen! M. Meyer, V. M. Mautino 17. High-throughput research at Dow Chem ical Co. R. D. Krystosek, B. H. Bartos 18. Determination of oxide layer thickness of aluminum nanoparticles. B. L. Smith, B. S. Jorgensen, J. R. Busse, W. C. Danen 19. Design of a process in a stainless steel actinide-processing glovebox. P. Banks

WEDNESDAY MORNING San Diego Marriott Columbia 2 TAGs, TECH, and Student Affiliates: The Start of a Beautiful Friendship Cosponsored with Society Committee on Education

T. Schank, Organizer 8:30—Introductory Remarks. 8:35—20. Answering the big questions: Where do I go from here and how do I get there? How the ACS fits in. C. E. Uzelmeier III 9:15—21. Student TECHs can be student af filiates too! L. E. Garrison 9:35—Intermission. 9:45—22. Students in chem tech degree pro gram interact with industry and ACS through NSF-sponsored program and oth er avenues. C. White 10:05—23. Chem tech students learn from industrial interactions. J. T. Kittel, S. S. Marine 10:20—24. What is TAG and TECH? How do I become a member? J. Engelman 10:40—Concluding Remarks.


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WEDNESDAY AFTERNOON

SUNDAY AFTERNOON

San Diego Marriott Columbia 2

Hyatt Regency Cunningham A-B

Oral and Poster Session General Chemistry

The Attorney Is In: What Are Your Questions?

A. M. Lanzafame, Organizer 1:00—Introductory Remarks. 25. Withdrawn. 1:05—26. Quantification of additives in hy drocarbon polymers using extended range mid-IR. J. F. O'Keefe, T. Ploszaj 1:25—27. Design of a process in a stainless steel actinide-processing glovebox. J. L. Lugo 1:45—28. Technetium problem in Hanford waste tanks. E. Bauer, J. G. Bernard, D. M. Liepman, R. M. Chamberlin, J. B. Arterburn, A. Gonzales, M. Pannala, D. E. Berning 29. Withdrawn. 2:05—Concluding Remarks.

CHAL

M. A. Katz, Program Chair SUNDAY MORNING Hyatt Regency Cunningham A-B

1:30—7. The attorney is in: What are your questions? M. Grossman

MONDAY MORNING Hyatt Regency Cunningham A-B

DIVISION OF COLLOID & SURFACE CHEMISTRY

Section Β

R. Nagarajan, Program Chair

Forensic Law

C. Campbell, Organizer 9:00—8. Presentation of DNA typing evi dence to courts and juries. G. W. Clarke 9:30—9. New DNA technology in the court room. C. J. Plourd 10:00—10. Nonhuman DNA testing for law enforcement purposes. J. Ruth 10:30—11. DNA profiling technologies: Past, present, and future. M. J. McGinniss 11:00—12. Use of forensic DNA testing in the new millennium. R. C. Giles 11:30—13. DNA testing from the laboratory viewpoint. H. Klann Jr.

Hyatt Regency Cunningham A-B 12:00—Division Business Meeting. Chester, Chester, Chester: A One-Man Play

Η. Μ. Peters, Organizer 1:30—14. Chester, Chester, Chester: A oneman play by George Shea summarizing the life of Chester Carlson, the inventor of the Xerox copying process. Η. Μ. Peters

Start-Up Companies and Tech Transfer

TUESDAY MORNING

D. H. Jaffer, Organizer

Technical Intelligence cosponsored with Division of Chemical Information (see page 98)

9:00—1. Patent strategy for start-ups. C. F. Hauff 9:30—2. Domain names and trademarks. M. Cabanski 10:00—3. Ownership of IP rights, nondisclo sure agreements, and confidentiality agreements. D. H. Jaffer 10:30—4. IP licensing for start-ups. A. Dow 11:00—5. Financing and structuring a start up. S. M. Wurzburg 6. Withdrawn.

COLL

M. Grossman, Organizer

MONDAY AFTERNOON

DIVISION OF CHEMISTRY & THE LAW

9:40—3. Celebrities and scoundrels of sur face science. J. Israelachvili 10:10—4. Fifty years of colloid-related re search: A personal account. H. Brenner 10:40—5. Surface fluctuation spectroscopy of thin wetting films. J. A. Mann Jr., G. H. Wegdam, D. Fenistein, P. Crouser, W. V. Meyer 11:10—6. Surface chemistry in the history and future of adhesion science. J. P. Wightman

TUESDAY AFTERNOON Technical Intelligence cosponsored with Division of Chemical Information (see page

WEDNESDAY MORNING Technical Intelligence cosponsored with Division of Chemical Information (see page 99)

WEDNESDAY AFTERNOON Technical Intelligence cosponsored with Division of Chemical Information (see page 99)

THURSDAY MORNING Patent Issues in the Bioinformatics Age cosponsored with Biotechnology Secretariat (see page 70)

OTHER SYMPOSIA OF INTEREST: Nanoelectrochemistry (see Division of Analytical Chemistry, Tue, page 77) Recent Advances in Microfluidics (see Division of Analytical Chemistry, Thu, page 78) Surface Properties of Natural Fibers (see Cellulose, Paper & Textile Division, Sun, Mon, page 84) Computational Studies of Molecular Electronic Devices (see Division of Computers in Chemistry, Tue, page 109) Defense Applications of Nanomaterials (see Division of Industrial & Engineering Chemistry, Wed, page 125) General Papers in Advanced Materials and Nanotechnology (see Division of Industrial & Engineering Chemistry, Thu, page 126) New Chemistry of Fullerenes and Nanotubes (see Division of Industrial & Engineering Chemistry, Sun, Mon, page 121) Membrane Technology in Petroleum, Petrochemical, and Gas Processing (see Division of Petroleum Chemistry, Thu, page 155) Synthesis and Characterization of Novel Micro/Meso Materials for Petrochemical Processing (see Division of Petroleum Chemistry, Tue, Wed, page 155) Advances in Controlled Drug Delivery (see Division of Polymeric Materials: Science & Engineering, Thu, page 174) Macromolecular Self-Assembly at Surfaces and Interfaces (see Division of Polymeric Materials: Science & Engineering, Sun, Mon, Tue, Wed, page 167) SOCIAL EVENTS: Social Hour Reception, Mon Luncheon, Tue BUSINESS MEETING: Mon

SUNDAY MORNING Section A Wyndham Emerald Plaza Opal

A Catalysis •


•


Ν Materials ^


Looking Back and Looking Forward: 75th Anniversary of Division of Colloid & Surface Chemistry

R. Nagarajan, Organizer, Presiding 8:30—Introductory Remarks. 8:40—1. Past and future of monodispersed colloids. E. Matijevic 9:10—2. Photochemistry, photophysics, and their contributions to and from colloid and surface chemistry. D. G. Whitten

Wyndham Emerald Plaza Crystal Ballroom I M Molecules as Components in Electronic Devices Electrical Measurements of SAMs and Single Molecules

M. Lieberman, M. A. Reed, Organizers M. A. Reed, Presiding 8:30—7. Stress-induced conductivity of alkanethiol self-assembled monolayers. K-A. Son, H. Kim, J. E. Houston, J. G. Kushmerick 8:55—8. Tuning the electrical properties of alkanethiol nanoassemblies using internal peptide bonds. S. M. Reed, J. Gunderson, J. Kroon, R. S. Clegg, J. E. Hutchison 9:20—9. Molecular rectification in selfassembled monolayer metal-insulatormetal junctions. M. L. Chabinyc, X. Chen, R. E. Holmlin, H. O. Jacobs, M. A. Rampi, G. M. Whitesides 9:45—Intermission. 10:00—10. Molecular quantum-dot cellular automata: Surface attachment and STM spectroscopy. M. Lieberman, Z. Li, F. Peiris, G. S. Snider 10:25—11. Investigation of gated electron transfer in ferrocene-based self-as sembled monolayers. C. Engtrakul, L. R. Sita 10:50—12. Fabrication of electronic molecu lar devices for memory application. Y. Chen, S-H. Kim, D. Stewart, D. Ohlberg, X. Li, S. Williams

Section C Wyndham Emerald Plaza Diamond 1 H Dynamics of Self-Organization of Amphiphiles and Colloids Micelles

P. Alexandridis, N. L Abbott, Organizers J. F. Holzwarth, L. M. Walker, Presiding 8:30—13. Self-organization of colloidal sus pensions in confined geometries. D. T. Wasan, A. D. Nikolov 9:00—14. Monte Carlo studies of selfassembly in microheterogeneous fluids. J. I. Siepmann, J. M. Stubbs, B. Chen, L. Zhang 9:30—15. Molecular dynamics simulation studies of surfactant systems. R. Allen, S. Bandyopadhyay, J. C. Shelley, M. Y. Shel ley, M. L. Klein 10:00—16. Aggregation dynamics of func tional polymers in aqueous solutions influ enced by surfactants. J. F. Holzwarth, Y. Li, M. J. Kositza, S. Couderc, E. WynJones, D. M. Bloor 10:30—17. Brownian motion, concentration fluctuations, and viscoelasticity in surfac tant solutions. J. H. van Zanten, S. Amin, R. M. van Zanten, T. W. Kermis, S. J. Dees 11:00—18. Effects of electrostatic interac tions on the rheology and structure of wormlike micelles. L. M. Walker, M. H. Truong


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Section D Wyndham Emerald Plaza Diamond II Catalysis Award Symposium Honoring Alexis T. Bell

E. Iglesia, B. Trout, Organizers Ε. Iglesia, Presiding 8:30—Introductory Remarks. 8:35—19. Surface science of active sites in metal catalysis. G. A. Somorjai 9:05—20. Molecular design and character ization of active surfaces for molecularlevel understanding and development of catalysis. Y. Iwasawa, T. Shido, K-l. Fukui 9:35—21. Incorporation and characterization of Sn in Pt/Sn-MCM-41 reforming cata lysts. G. L Haller, N. Yao, P. D. Fox 10:05—Intermission. 10:15—22. Molecular design and synthesis of heterogeneous catalysts. T. D. Tilley 10:45—23. Recent atomic-scale insight into hydrodesulfurization catalysts. H. Topsoe, J. Lauritsen, S. Helveg, A. B. V. Carlsson, M. Brorson, B. S. Clausen, J. K. Norskov, F. Besenbacher 11:15—24. n-Pentane isomerization on strong solid acids: Tungstated zirconia. H. Knôzinger

Section Ε Wyndham Emerald Plaza Topaz Inter- and Intramolecular Forces in Biological Systems Cosponsored with Division of Biochemical Technology

J. Wong, J. H. Hoh, Organizers, Presiding 8:30—Introductory Remarks. 8:35—25. Kinetics of bond formation and dis sociation between surface-bound cell ad hesion receptors. P. Bongrand, A. Pierres, A. M. Benoliel 9:05—26. Adhesive dynamics: Interplay be tween molecular properties and the dy namics of adhesion. D. A. Hammer, M. King, D. Tees, K-C. Chang 9:35—27. Direct visualization of neutrophil aggregation in couette flow: Effect of shear rate on two-body collision efficiency. S. I. Simon, T. A. Quinn, F. A. Mcintosh, C. Green, H. L. Goldsmith 9:55—Intermission. 10:15—28. Probing adhesion protein func tion by direct force measurements. D. Leckband 10:45—29. Probing the interaction between leukocyte function-associated antigen-1 and intercellular adhesion molecule-1 by force spectroscopy. X. Zhang, A. Chen, V. T. Moy 11:05—30. Quantification of the botrocetindependent binding force between von Willebrand factor and glycoprotein Ib-IX using optical tweezers. M. Arya, G. Romo, J. A. Moake, J-F. Dong, L. V. Mclntire, J. L. Lopez, B. Anvari 11:25—31. Systematic errors in estimation of Bell model parameters for receptor-ligand bond dissociation from forced unbinding assays. D. F. J. Tees, J. T. Woodward, D. A. Hammer

Section F Wyndham Emerald Plaza Crystal Ballroom II Chemistry at Solid Surfaces Surface Dynamics

C. B. Mullins, Organizer G. O. Sitz, Presiding 8:30—32. Abstractive chemisorption of oxy gen on Al(111). M. Binetti, O. Weisse, E. Hasselbrink, A. J. Komrowski, A. C. Kummel 9:05—33. Collision-induced chemical pro cesses on a chlorinated silicon surface. T. K. Minton, J. Zhang 9:40—34. Reactions of hyperthermal energy oxygen ions with oxidized Si(100). C. L. Quinteros, T. Tzvetkov, X. Qin, D. C. Ja cobs


10:15—35. Inelastic interaction of atoms and molecules with metal surfaces. Z. S. Wang, G. R. Darling, M. Persson, D. Bird, S. Holloway 10:50—36. Eley-Rideal reactions between H atoms on metal and graphite surfaces. B. Jackson 11:25—37. Theoretical calculations of disso ciative adsorption of methane on an lr(111) surface. G. Henkelman, H. Jonsson 12:00—38. Simulation of trapping-desorption at high surface temperatures. C. B. Mul lins, C. Reeves, J. Stiehl, G. Sitz • • A Emission Control through Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 70)

SUNDAY AFTERNOON Section A Wyndham Emerald Plaza Opal Looking Back and Looking Forward: 75th Anniversary of Division of Colloid & Surface Chemistry

R. Nagarajan, Presiding 2:00—81. Roadmap for surface chemistry and catalysis for the 21st century. G. A. Somorjai 39. Withdrawn. 2:3fj—40. Thermodynamically stable disper sions. E. Ruckenstein 3:00—41. Electrophoretic fingerprinting to characterize any colloidal dispersion. R. L. Rowel I 3:30—42. Formulations and fundamentals. R. D. Tilton 4:00—43. Spontaneous spreading of liquid drops by Marangoni flows. D. T. Wasan, A. D. Nikolov, A. Chengara, K. Koczo, G. A. Policello 4:30—44. Simple colloids in simple environ ments conquered in the past: Complex real-life nanoids to be conquered in the fu ture. P. Somasundaran

Section Β Wyndham Emerald Plaza Crystal Ballroom I Η Thin Films: Preparation, Characterization, and Applications Molecular Films

J. L. Stickney, M. P. Soriaga, Organizers L. A. Bottomley, Presiding 2:00—Introductory Remarks. 2:05—45. Keynote Address. Electrical and optoelectronic properties of thin films of molecular materials. A. J. Bard, C. Liu, F-R. F. Fan, F. G. Gao, M. Buda 2:45—46. Phthalocyanine thin films: Transfer efficiency and ordering influenced by sub strate preparation. R. A. P. Zangmeister, A. S. Drager, D. F. O'Brien, N. R. Arm strong 3:05—47. Ultrathin films of conjugated poly mers prepared by electrodeposition on modified conducting surfaces for electrical and optical applications. C. Xia, R. C. Advincula 3:35—48. From monolayers of anchored polymers to free-standing elastomeric membranes. W. A. Goedel, F. Mallwitz, C. Peyratout, R. Heger 3:55—49. Controlled switching of surface chemistry using tethered molecular ma chines. D. L. Huber, B. C. Bunker, J. G. Kushmerick, C. M. Matzke, J. F. Stoddart, J. Cao, J. O. Jeppesen, J. Perkins 4:15—50. Dynamics of ultrathin block copoly mer film dewetting by environmental atom ic force microscopy. D. N. Leonard, P. E. Russell, S. D. Smith, R. J. Spontak 4:35—51. Chemical force microscopy of SAMs by adhesive force mapping with pulsed-force-mode atomic force microsco py. M. Fujihira, H. Okui, U. Akiba 4:55—52. Microcantilever-based sensing of surface-confined host-guest interactions. L. A. Bottomley, M. A. Poggi, P. T. Lillehei, A. Adenyi

Section C Wyndham Emerald Plaza Diamond 1 H Dynamics of Self-Organization of Amphiphiles and Colloids Vesicles

S. Lee, K. J. Stebe, Presiding 2:00—53. Origins of stability of equilibrium vesicles. J. A. Zasadzinski, H. Jung, B. Coldren, C. McElvey, E. W. Kaler 2:30—54. Dynamics of vesicle formation and growth in mixed anionic/cationic surfactant systems. T. A. Hatton, A. Shioi, P. D. T. Huibers, A. Bose, P. Johnson 3:00—55. Alteration of vesicle mechanics by soluble amphiphiles. C. Yong, R. M. Ra phael, K. J. Stebe 3:30—56. Polymersome membrane dynam ics: From lateral diffusion to electroporation. D. Discher, J. C-M. Lee, H. Aranda, H. Bermudez, D. Hammer, F. Bates 3:50—57. Physical properties of novel carbohydrate-based phospholipid bilayers. G. S. Hird, S. Lee, T. J. Mcintosh, M. W. Grinstaff 4:20—58. Kinetics of morphological changes in block copolymer aggregates. S. Burke, A. Eisenberg 4:50—59. Amphiphilic block copolymer mi celles dispersed in water: Controllable anisotropy and switchable morphologies. D. Bendejacq, V. Ponsinet, M. Joanicot

Section D Wyndham Emerald Plaza Diamond II Catalysis Award Symposium Honoring Alexis T. Bell

B. Trout, Presiding 2:00—60. Predicting rates of elementary sur face reactions by ab initio methods. J. Sauer, M. Sierka 2:30—61. Experimental and theoretical stud ies of surface intermediates in olefin epoxidation. M. A. Barteau 3:00—Intermission. 3:10—62. Quantum and statistical mechani cal approaches to studying catalytic reac tions in zeolites. A. K. Chakraborty 3:4fj—63. Pressure-enthalpy driven molecu lar dynamics: A simple and efficient meth od for thermodynamic state point sam pling. E. J. Maginn, L. I. Kioupis 4:10—64. Computational investigations of zeolite catalysis. R. Q. Snurr, S. A. McMil lan, L. A. Clark, L. J. Broadbelt 4:40—Discussion and Concluding Remarks.


J. Wong, J. H. Hoh, Presiding 2:00—Introductory Remarks. 2:05—65. Laser-tracking microrheology: Me chanics of polymer networks and of cell motility. S. C. Kuo 2:35—66. Measuring local mechanical re sponse with multiple particle tracking. M. T. Valentine, A. Bausch, H. Stevens, D. A. Weitz 2:55—67. Cytoskeletal forces directly influ ence stress fiber assembly and disassem bly. K. D. Costa 3:25—68. Force transmission between a pair of hydrodynamically coupled micro spheres. L. A. Hough, H. D. Ou-Yang 3:45—Intermission. 4:05—69. Modeling force coupling in the out er hair cell. R. M. Raphael, W. E. Brownell, A. S. Popel


4:25—70. Role of pH-sensitive copolymers on liposome stabilization. S. Giasson, R. Stomp, M. Pezolet, J-C. Leroux, E. Roux 4:45—71. DNA condensation and bundle for mation: Forces vs. entropy. M. J. Stevens

Section F Wyndham Emerald Plaza Crystal Ballroom II Chemistry at Solid Surfaces Semiconductor Surface Chemistry

T. K. Minton, Presiding 2:00—72. Chemical and thermal reduction of thin films of copper(ll) oxide and copper(l) oxide. P. D. Kirsch, J. G. Ekerdt 2:20—73. Kinetics and gas-surface dynam ics of GaN homoepitaxial growth using seeded supersonic molecular beams. H. H. Lamb 2:45—74. Combining experimental and theo retical methods to examine semiconductor surface chemistry. C. M. Greenlief 3:10—75. Silicon-germanium alloy chemical vapor deposition chemistry and kinetics. J. G. Ekerdt, P. S. Parkinson 3:35—76. Identification of radical growth pre cursors in chemical vapor deposition. S. F. Bent 4:00—77. Probing the chemistry of dielectric thin-film growth. J. E. Crowell, L. D. Flores 4:25—78. Mechanisms and energy transfer for reactions of NHX radicals during NH 3 plasma processing of metal and polymer substrates. E. R. Fisher, C. I. Butoi, M. L. Steen 4:45—79. IR and X-ray photoelectron spec troscopic studies of the reactions of hydrogen-terminated crystalline Si(111) and Si(100) surfaces with Br2, l 2 , and ferrocenium in alcohol solvents. N. S. Lewis, J. A. Haber 5:05—80. Low effective surface recombina tion velocities produced by an inversion layer at Si/liquid contacts. D. J. Michalak, W. J. Royea, N. S. Lewis • • À Emission Control through Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 70)

MONDAY MORNING Section A Wyndham Emerald Plaza Opal Looking Back and Looking Forward: 75th Anniversary of Division of Colloid & Surface Chemistry

R. Nagarajan, Presiding 9:00—82. Past accomplishments and future prospect of colloid chemical approach to advanced materials synthesis. J. H. Fendler 9:30—83. Contact angles and solid surface tension. A. W. Neumann 10:00—84. Surfactant at interfaces: Adsorption and structure. W. Ducker, A. Tulpar, W. Lokar 10:30—85. Atomic, ionic, and molecular electrochemistry at solid surfaces. A. T. Hubbard 11:00—86. Physical chemistry of surfaces. A. W. Adamson

Section Β Wyndham Emerald Plaza Crystal Ballroom I M Thin Films: Preparation, Characterization, and Applications Electrode-Solution Interface

J. L. Stickney, M. P. Soriaga, Organizers G. Jerkiewicz, Presiding 8:30—87. Keynote Address. Atomic-scale characterization of metal-electrolyte inter faces. K. Wandelt 9:10—88. Liquid-surface interactions in nanoporous silicon films. D. Derr, M. J. Sailor, J. Tran

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101

COLUTECHNICAL PROGRAM

9:30—89. AFM imaging of liquid films: From droplet profiles to molecular interactions. F. Mugele, T. Becker, S. Herminghaus, T. Pompe 9:50—90. Superconformai electrodeposition of copper. T. P. Moffat, D. Wheeler, J. Bonevich, D. Kelly, G. Stafford, W. Huber, A. Stanishevsky, D. Josell 10:20—91. Electrochemical nanostructuring with an STM. D. M. Kolb, G. E. Engelmann, J. C. Ziegler 10:50—92. Functionalization of underpotentially deposited metal layers with metals, organics, and ions. P. E. Laibinis, G. K. Jennings, R. Michalitsch, S. Takami, P. Castano 11:10—93. Silver UPD on Pt(111) in H 2 S0 4 : Temperature dependence of the process. G. Jerkiewicz, Z. Radovic-Hrapovic

Section C Wyndham Emerald Plaza Diamond 1 M Dynamics of Self-Organization of Amphiphiles and Colloids Polymer-Surfactant Interactions

Y. Morishima, R. D. Tilton, Presiding 8:30—94. Polyion-surfactant interactions: From stable vesicles to DNA compaction. B. Lindman, E. Marques, R. Dias, A. Khan, M. Miguel 9:00—95. Dynamic properties of a network structure formed by micellization of amphi philes covalently linked to polyelectrolytes as their side chains. Y. Morishima, A. Hashidzume, T. Noda 9:30—96. Interaction of conventional surfac tants with the block copolymer F127. E. Wyn-Jones, D. M. Bloor, R. Xu, Y. Li, S. Couderc, J. F. Holzwarth 10:00—97. Polyelectrolyte/ionic surfactant interactions in aqueous solutions: Effects of polymer molecular weight, surfactant ar chitecture, and added cyclodextrin, probed by dynamic mechanical, fluorescence, and NMR spectroscopy. P. Alexandridis, I. S. Chronakis, S. Ahn, M. Tsianou 10:20—98. Optimization and control of polyelectrolyte/surfactant interactions. H. Brew, D. M. Bloor 10:40—99. Study of complex formation be tween poly(ethylene oxide) and a cationic surfactant. K. Y. Mya, A. M. Jamieson, A. Sirivat 11:00—100. Manipulation of nonequilibrium adsorbed layers by polymer-surfactant in teractions. R. D. Tilton 11:30—101. Structural rearrangements in the negative bilayer lipid membrane in duced by adsorption/desorption of syn thetic polycations. A. Yaroslavov, V. Kabanov Section D Wyndham Emerald Plaza Diamond II

M. A. Reed, Presiding 8:30—102. Micron-sized gold architectures for molecular information storage. Z. Liu, A. A. Yasseri, D. F. Bocian, W. G. Kuhr, J. S. Lindsey

A Catalysis Chemistry & Computers

•


H Materials ^


•


^

Presidential Series

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5, 2 0 0 1

Section D

MONDAY AFTERNOON Section A Wyndham Emerald Plaza Opal Looking Back and Looking Forward: 75th Anniversary of Division of Colloid & Surface Chemistry

2:00—122. Heterogeneous catalysis: A sur face science perspective. D. W. Good man 2:30—123. Computer simulation studies of adsorption. W. A. Steele 3:00—124. Molecular simulation of nanoscopically confined fluids. K. A. Fichthorn 3:30—125. Molecularly thin lubricant films: The old and new nanotechnology. C. M. Mate 4:00—126. Orientations of liquid crystals on nanostructured surfaces. N. L. Abbott 4:30—127. Colloids as models of simple condensed matter. R. Rajagopalan

J. Buriak, Presiding

Section Β

Η Thin Films: Preparation, Characterization, and Applications Metal Thin Films

J. Wong, J. H. Hoh, Presiding

C. Korzeniewski, Presiding

8:30—Introductory Remarks. 8:50—109. Looking inside molecular bonds with dynamic force spectroscopy. E. A. Evans 9:20—110. Single molecule interactions of ligands to receptors embedded in biological membranes using AFM. F. Kienberger, C. Borken, D. Blaas, H. Mueller, H. Schindler, P. Hinterdorfer 9:40—111. Probing the mechanics of single molecules with local probe techniques. S. Altman, P-F. Lenne, K. Herbert, T. Scholz, C. Tischer, H. Hôrber 10:00—Intermission. 10:05—112. Unfolding bacteriorhodopsin and unbinding CSA by AFM-related techniques. Η. Ε. Gaub 10:35—113. Force-induced denaturation of RNA. U. Gerland, R. Bundschuh, T. Hwa 10:55—114. Mechanical studies of transcrip tion. M. D. Wang 11:25—115. Instrumentation for high-speed atomic force microscopy in liquid and in air. T. A. Sulchek, C. F. Quate

2:00—128. Keynote Address. Electrochem ical epitaxial growth, structure, and electrocatalytic properties of noble metal thin films on Au(111) and Au(100). K. Uosaki, S. Ye, T. Kondo, H. Naohara 2:40—129. Surface electrochemical studies of Pd electrodeposited on Pt electrode surfaces. M. P. Soriaga, E. A. Lafferty, Y-G. Kim 3:10—130. Electrochemical properties of Pd/ Pt(111) adlayers. J. M. Feliu, B. Alvarez, V. Climent, A. Rodes 3:40—131. Electrodeposition of discontinu ous thin films of metals on graphite. R. M. Penner 4:10—132. Electrodeposition from molten salts: Metal and semiconductor thin films. F. Endres, W. Freyland 4:40—133. Adsorption of xanthate and multi layer film formation with metals. M. Hepel, M. Scendo 5:10—134. Structural and kinetic studies of CO adlayer properties on platinum. C. Korzeniewski, D. Kardash

Section C

Section F Wyndham Emerald Plaza Crystal Ballroom II

Wyndham Emerald Plaza Diamond 1

Chemistry at Solid Surfaces Ice and Liquid Surface Chemistry

H Dynamics of Self-Organization of Amphiphiles and Colloids Phase Behavior and Microemulsions

8:30—116. Atom scattering from atomic sur factants. G. M. Nathanson 9:05—117. Molecular beam studies of gas interactions with crystalline and amor phous ice surfaces. J. B. C. Pettersson 9:40—118. Molecular beam studies of nanoscale films of amorphous solid water. B. D. Kay, P. Ayotte, Z. Dohnâlek, G. A. Kimmel, R. S. Smith, K. P. Stevenson, G. R. Teeter 10:15—119. The first layers of water on Ru(001) studied by collision-induced desorption and work function measurements. Y. Lilach, L. Romm, M. Asscher 10:50—120. Ab initio study of hydroxyl exchange on (0001) α-ΑΙ 2 0 3 surface. V. Shapovalov, T. N. Truong 11:10—121. Adsorption and dissociation of water and methanol on stepped SrTiO3(100) surfaces. L-Q. Wang, K. F. Fer ris, G. S. Herman • • A Emission Control through Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 70)

M Molecules as Components in Electronic Devices Methods of Interfacing Molecular Devices with Chip Surfaces

M. Lieberman, Organizer

Wyndham Emerald Plaza Crystal Ballroom I

Inter- and Intramolecular Forces in Biological Systems Cosponsored with Division of Biochemical Technology

Wyndham Emerald Plaza Diamond II

R. Nagarajan, Presiding

Section Ε Wyndham Emerald Plaza Topaz

J. E. C rowel I, Presiding

H Molecules as Components in Electronic Devices Electrical Measurements of SAMs and Single Molecules

•

8:55—103. Using probe lithography and selfassembled monolayers to fabricate proto type molecular electronics circuits. R. L Carroll, C. Gorman 9:20—104. Negative differential resistance molecular devices. W. Wang, J. Chen, M. A. Reed 9:45—Intermission. 9:55—105. Design considerations in chemi cal assembly of electronically reconfigu rable molecular switching arrays for mem ory and logic. J. R. Heath, C. P. Collier, Y. Luo, E. R. Wong 10:20—106. On the mechanism of resonant conductivity in conjugated molecules. R. R. Birge, S. Datta, D. Singh, F. Zahid, A. W. Ghosh, P. Damle 10:45—Intermission. 10:55—107. Measuring and controlling molecular-scale properties for molecular electronics. P. S. Weiss 11:20—108. Transient molecular quantum wells form from the electronic interaction between organic molecules and the metal surface. G. Dutton, X. Zhu

J. G. E. M. Fraaije, P. D. Fletcher, Presiding 2:00—135. Alkylpolyglucosides: Phase be havior and microstructure. E. W. Kaler, H. Edlund, Β. Baser 2:30—136. Dynamics of polymer surfactant morphology formation. J. G. E. M. Fraaije, G. J. A. Sevink, A. V. Zvelindovsky 3:00—137. Understanding the kinetics of phase stability under hydrothermal condi tions in periodic silica/surfactant compos ites. S. H. Tolbert, A. F. Gross, V. H. Le 3:20—138. Surfactant phase behavior in emulsion polymerization. S. Sundaram 3:40—139. Dynamic processes in microemulsions and emulsions. P. D. Fletcher 4:10—140. Structure and dynamics of rodshaped microemulsions. D. C. Steytler, C. A. Lewis, A. L. Price, B. H. Robinson, J. Eastoe, V. Degiorgio, F. Mantegazza 4:3fJ—141. Small-angle neutron scattering studies of water in carbon dioxide micro emulsions. C. T. Lee, K. P. Johnston, H. D. Cochran, G. D. Wignall 4:50—142. Process intensification in the preparation of colloidal polymer latexes by flow-induced phase inversion emulsification of thermoplastic melts. L. Tong, G. Akay

2:00—143. Novel chemical architecture at silicon-organic interfaces. S. K. Coulter, X. Cao, L. Fang, J. Liu, M. P. Schwartz, R. J. Hamers 2:25—144. Molecular and macromolecular functionalized nanoparticle assemblies with novel electronic and sensor proper ties. I. Willner 2:50—145. Synthesis and assembly of nanowires for molecular electronic circuits. B. R. Martin, J. K. N. Mbindyo Mbindyo, B. D. Reiss, D. J. Pena, P. A. Smith, S. K. St. Angelo, B. Razavi, C. D. Keating, T. S. Mayer, T. N. Jackson, T. E. Mallouk 3:15—Intermission. 3:30—146. Attaching organic molecules to semiconductor surfaces. S. F. Bent 3:55—147. Synthesis, morphology, photolu minescence, and electroluminescence properties from well-defined tetrahedral oligophenylenevinylene molecules. M. R. Robinson, G. C. Bazan 4:20—148. Toward wiring of molecular wires into semiconducting chips. J. M. Buriak, K. Choi, H. C. Choi, M. P. Stewart


J. Wong, J. H. Hoh, Presiding 2:00—Introductory Remarks. 2:05—149. Stretching molecules into novel conformations using AFM. J. M. Fernan dez 2:35—150. Molecular dynamics investiga tions of protein mechanics. K. Schulten 3:05—151. Molecular dynamics simulations of biological polymers. C. C. Matthai, R. G. Maurice, R. Randel 3:25—Intermission. 3:45—152. Regulating a protein's functional state by mechanical force: Case study— fibronectin. D. W. Craig, W. E. Thomas, A. Krammer, K. Schulten, V. Vogel 4:05—153. Cantilever physics in the me chanical unfolding of proteins. J. Cleve land, R. Proksch, A. Steward, J. Clarke 4:25—154. Forced unfolding modulated by disulfide bonds in an immunoglobulin cell adhesion molecule. D. Discher, P. Carl, G. Manderson, D. Speicher 4:45—155. Force spectroscopy of biotinylated DNA. L. A. Bottomley, P. T. Lillehei

Section F Wyndham Emerald Plaza Crystal Ballroom II Chemistry at Solid Surfaces Surface Dynamics

C. B. Mullins, Presiding 2:00—156. Femtosecond dynamics of CO colliding with and adsorbed at Ru surfac es. A. W. Kleyn, M. Bonn 2:35—157. Methane dissociation on Ru(0001): A view from the back side of the barrier. A. C. Luntz, H. Mortensen, L. Diekhôner, A. Baurichter 3:10—158. Reactions of state-selected reagents on solid surfaces. A. L. Utz 3:45—159. Vibrational energy transfer and reactivity in scattering of vibrationally excited molecules from solid surfaces. D. J. Auerbach, H. Ho, Y. Huang, M. Murphy, C. T. Rettner, A. M. Wodtke



4:20—160. State-to-state scattering at a re active surface: A comparison of experi ment and theory for H 2 (v=1, J=1) scat tered from Cu(100). E. Watts, G. Sitz 4:55—161. Effects of hydrogen and hydro carbon adsorption on the oxidation of Si(100) by atomic oxygen. S. A. Buntin, M. Litorja 5:15—162. Angular distribution of thermally desorbed D2 from the monodeuteride and dideuteride phases of Si(100): Implications for the transition state to desorption. D. P. Pullman, M. L. Neuburger, J. L. Beyer, G. Gidofalvi, S. D. Chambreau

183. Structure sensitivity study of highpressure and high-temperature CO de composition on platinum single crystals using sum frequency generation surface vibrational spectroscopy. K. R. McCrea, J. Parker, P. Chen, G. Somorjai 184. Atomic H(D) adsorption and water for mation on U0 2 (poly) and U0 2 (111) sin gle crystal. M. R. Voss, M. T. Paffett 185. Bimetallic nickel/cobalt-molybdenum ni tride catalysts for use in hydroprocessing of fossil fuels. S. Korlann, B. Diaz, M. E. Bussell 186. Competitive adsorption of phosphate and arsenate on goethite. R. Stanforth, H. • • A Emission Control through Catalysis S. Zhao cosponsored with Catalysis & Surface 187. Heterogeneous catalysts for the aerobic Science Secretariat (see page 71) selective oxidation of alcohols. A. F. Lee 188. In situ monitoring of heterogeneous cat MONDAY EVENING alytic reactions using UV-Raman spectros copy: Bridging the material and pressure San Diego Marriott gaps. C. R. Tewell, F. Malizia, J. Ager, G. Exhibit Hall A. Somorjai Poster Session: Fundamental Research 189. Molybdenum carbide and nitride hyin Colloid and Surface Chemistry drodesulfurization catalysts: Effect of pro motion with Co and Ni. Β. Diaz, D. Short A. T. Hubbard, Organizer, Presiding en, D. C. Phillips, R. L. Self, M. E. Bussell 190. On the viability of atom abstraction in 6:00-8:00 the dissociative chemisorption of 0 2 on the Al(111) surface. D. P. Pullman, M. L. Applications of Nanotechnologies in the Neuburger New Millennium 191. Pyrolytic study of n-alkanethiols on 163. Surface modification of luminescent silica-supported rhodium nanoparticles. J. CdSe, CdSe/ZnS, and CdSe/CdS core/ A. Ramos, M. Perez, G. Dominguez, E. L shell quantum dots and their use as in situ Smith hybridization probes. S. Pathak, M. E. 192. Chemistry of anionic surface-initiated Thompson, N. Arnheim, S-K. Choi polymerization on surfaces. Q. Zhou, J. 164. Periodic patterning of colloidal particles Mays, R. Advincula via surface pattern matching. I. Lee, X. 193. Grafting of polymers to solid surfaces by Jiang, H. Zheng, Κ. Μ. Chen, M. F. Rubmeans of copolymerization with immobi ner, L. C. Kimerling, P. T. Hammond lized monomers. J. Riihe, M. Bialk, D. 165. Morphological investigation of vinyl Madge, O. Prucker (co)polymer-silica colloidal nanocompos194. Heats of physisorption and the predic ites. M. J. Percy, S. P. Armes, C. Barthet, tions of χ theory. J. B. Condon J. I. Amalvy, S. Greaves, J. F. Watts 195. Immobilized metal-ion/protein interac 166. Size-selective electrosynthesis of TTFBr tions: Role of ionic strength and pH. S. on Pt nanoparticles. F. Favier, R. M. PenSharma, T. A. Desai, G. P. Agarwal ner, H. Liu 196. Model chromatographic surfaces: Influ 167. Effect of in situ chemistry on phase sta ence of solvent on alkane chain order bility of silica/surfactant materials. A. F. studied by sum frequency generation Gross, V. H. Le, Β. L. Kirsch, S. H. Tolbert spectroscopy. M. C. Henry, L. K. Wolf, M. 168. Novel approaches to shell cross-linked C. Messmer micelles via interpolymer polyelectrolyte 197. Molecular order of a silane monolayer complexation. S. Liu, S. P. Armes on mica mechanically induced by AFM. D. 169. Polymerized bicontinuous cubic phase Alliata, P. Facci from reactive monoacylglycerols. D. Yang, 198. Synthesis and evaluation of biopolyS. W. Jeong, G. Lindblom, D. F. O'Brien mers as environmentally friendly corrosion 170. Self-assembly with nonspherical col inhibitors. N. U. Obeyesekere, A. R. loids as the building blocks. Y. Lu, Y. Yin, Naraghi, J. S. McMurray Y. Xia 199. Synthesis of well-defined, polymer171. Controlling colloidal particle assembly at grafted silica particles by atom-transfer surfaces using topography, electrostatic radical polymerization in aqueous media. forces, and covalent attachment. Y. Sun, S. P. Armes, C. Perruchot, M. A. Khan, T. B. Janesko, G. Walker M. von Werne, T. E. Patten 172. Hybrid electrochemical/chemical syn H Dynamics of Self-Organization of thesis of supported, luminescent molybde Amphiphiles and Colloids num disulfide nanocrystallites with size se lectivity. K. H. Ng, R. M. Penner 200. Thermosensitive 2-D arrays of hydrogel 173. Phase stability of silica/surfactant mesoparticles. K. Nakahama, K. Fujimoto structured composites: Examining the role 201. Every which way and loose: The re of surfactant packing. A. M. Lapena, A. F. markable flip-flop micellar self-assembly of Gross, J. Wu, S. H. Tolbert a tertiary amine methacrylate diblock co 174. Polymer particle interactions in air and polymer in water at room temperature. S. water. C. S. Hodges, L. Looi, J. Cleaver, P. Armes, V. Butun, N. C. Billingham R. Oliver, D. Sutton 202. AB diblock and ABC triblock amphiphil175. Polymer-immobilized palladium cata ic copolymers containing fluorine: Synthe lysts: Catalytic selectivities and morpholo sis by group-transfer polymerization and gies. Y. T. Vu, J. E. Mark aqueous solution characterization. E. Loi176. Synthesis and characterization of zidou, D. Haralambous, M. Vamvakaki, C. PMMA-silica colloidal nanocomposites. M. S. Patrickios, T. Krasia, M. Antonietti J. Percy, S. P. Armes 203. Characteristics and applications of 177. Synthesis of shell cross-linked micelles surfactant-free emulsion. T. Sakai, K. Kaat high solids using ABC triblock copoly mogawa, H. Sakai, M. Abe mers. M. Save, S. P. Armes 204. Double-hydrophilic linear and star co 178. Synthesis, characterization, and evalua polymers bearing diol and tertiary amine tion of transition-metal phosphide hygroups: Synthesis and aqueous solution drodesulfurization catalysts. D. C. Phil characterization. S. C. Hadjiyannakou, T. lips, R. L. Self, M. E. Bussell Georgiou, M. Vamvakaki, C. S. Patrickios 205. Effect of lipid type on stability of air-filled Chemistry at Solid Surfaces microbubbles. M. A. Borden, M. L. Longo 179. Investigation of the surface chemistry of 206. Electrochemical and phase behaviors of crown ethers: The formation of rotaxanes aqueous mixtures of a ferrocene-modified on palladium(111). S. Azad, W. T. Tysoe cationic surfactant and an anionic surfac 180. Using sum frequency generation to in tant. K. Tsuchiya, H. Sakai, M. Abe vestigate ammonia at the surface. C. Gin, 207. Electrochemical reduction of 1,4D. Simonelli, S. Baldelli, M. J. Shultz dicyanobenzene in monodisperse aque 181. Thermal chemistry of C6 cyclic com ous micellar solution. I-U. Haque, N. Razpounds on Pt(111). O. Zivkovic, F. Zaera vi 182. Sum frequency generation and cyclic 208. Interaction between polyelectrolytes and voltammetry studies of CO oxidation on surfactants. S. Barany platinum electrodes in acetonitrile/water 209. Novel preparation method of liposome solutions. S. Hoffer, S. Baldelli, G. A. Sousing supercritical C 0 2 . T. Imura, K. morjai Otake, H. Sakai, M. Abe


210. Probing the chemical environment of surfactant monolayers at the air-water in terface using Raman spectroscopy. Ε. Μ. McAlister, J. E. Pemberton 211. Self-organization of multiporphyrin as semblies in solution and on surfaces. T. N. Milic, C. M. Drain, J. D. Batteas 212. Stacked lipid bilayer super-supramolecular structures. D. Y. Sasaki, T. A. Waggoner, J. A. Last, P. G. Kotula 213. STM studies of self-assembled chiral systems at the liquid-solid interface. D. G. Yablon, D. Knapp, H. Fang, J. Guo, G. W. Flynn 214. Study of the surface properties of sur factants and polymers in aqueous solution using the axisymmetric drop shape analy sis technique. T. Thurn, D. M. Bloor 215. Synthesis and characterization of new lyotropic liquid crystals bearing sulfonic acid head groups. W. Gu, D. L. Gin 216. Synthesis and characterization of welldefined, semibranched analogs of "pluronic-type" polymeric surfactants. K. L. Robinson, S. P. Armes 217. Tetraphenylporphyrins in micelles and small unilamellar vesicles. U. Simonis, L. Lao Fundamental Research in Colloid and Surface Science 218. Tapping mode atomic force microscopy on polymers: Where is the true sample surface? A. Knoll, H. Hànsel, N. Rehse, R. Magerle, G. Krausch 219. Study of polydispersity of grafted polymer surfaces using single-molecule atomic force microscopy. S. Al-Maawali, J. E. Bemis, B. B. Akhremitchev, R. Leecharoen, B. G. Janesko, G. C. Walker 220. Contact mechanics and bond rupture in chemical force microscopy: A study using atomistic molecular dynamics simulation. J. Flanagan IV, D. L. Patrick 221. Contact time dependence of adhesive energy. A. R. C. Baljon, T. Nguyen 222. Electrochemical reduction of 1,4-dicyanobenzene in monodisperse aqueous micellar solution. I-U. Haque, N. Razvi 223. Chemical modification of olefinic groups in bridged polysilsesquioxane gels. D. A. Loy, E. E. Soto, K. J. Shea 224. Influence of dual network microstructure on toothpaste rheology. J. G. Masters, E. Pashkovski, L. Szeles 225. Influence of polymer network structure on dentifrice viscoelastic properties. L. H. Szeles, J. G. Masters, E. Pashkovski 226. Interactions affecting microporous membrane throughput. J. Kinsey, X. Wu 227. Interactions of unsymmetrically substituted water-insoluble porphyrins with model membranes. U. Simonis, R. Mendoza 228. Interfacial rheology measurements on a silicone polyether and their correlation to emulsion stability. Z. Lin, M-A. Leboucher, L. Marteaux, L. A. Schafer 229. Investigation of phospholipase A2 activity upon a novel carbohydrate-based phospholipid. G. S. Hird, M. W. Grinstaff 230. Investigation of ultrathin solvent layers at organically modified silver substrates by the emersion approach. D. J. Tiani, J. E. Pemberton, A. M. Hawkridge 231. Localized hydrophobic modification of hydrophilic microporous membranes. G. LaRue, X. Wu 232. Multinuclear magnetic resonance investigation of molecular assembly in ordered nanoporosities. L-Q. Wang, J. Liu, Y. Shin 233. Nanochannel electrodes fabricated on silica-passivated metals using scanning probe lithography. J. W. Robertson, J. E. Pemberton Inter- and Intramolecular Forces in Biological Systems 234. Nanomechanical studies of plant biopolymers by AFM and solid-state NMR. J. D. Batteas, A. N. Round, B. Yan, S. Dang, R. Estephan, R. E. Stark 235. PSGL-1 dimerization affects cell rolling velocity and tethering. M. J. Smith, K. R. Snapp, M. B. Lawrence

236. Force measurements on single molecular contacts through evanescent wave microscopy. G. Zocchi 237. Elastic substratum method to determine effects of cell-substrate adhesivity on cellgenerated traction stresses. M. Hennessy, W. Marganski, M. Dembo, J. Wong 238. Probing membrane fusion using atomic force microscopy. A. R. Hodges, Y. Fang, W. F. Heinz, J. H. Hoh 239. Single-molecule study of bacterial polysaccharide conformation using atomic force microsocopy. T. A. Camesano, J. Khan, N. Abu-Lail 240. Combined atomic force, confocal, and total internal reflection microscope for the study of single molecules. W. F. Heinz, K. D. Weston, B. Navarro, P. Bemardi, L. S. Goldner 241. Forces and kinetics of single-molecule ligand-protein interactions. M. Zhao, Β. Τ. Houseman, M. Mrksich, N. F. Scherer 242. Atomic force microscopy for the life sci ences. B. A. Smith, D. A. Anselmetti 243. Modeling and measurement of glycosaminoglycan electrostatic interactions. J. Seog, D. Dean, S. Wong-Palms, A. Plaas, A. J. Grodzinsky, C. Ortiz 244. Molecular-level analysis of macromolecule-surface interactions in bacterial adhesion. B. E. Logan, J. D. Chorover, D. Velegol, J. D. Kubicki, M. Elimelech 245. Dynamic force spectroscopy of single E-cadherin fragments. P. Nassoy, E. Per ret, A. Leung, H. Feracci, E. A. Evans 246. Extending AFM to globular proteins: A general method for constructing multidomain repeats applied to proteins without any structural function. R. B. Best, A. Steward, S. Fowler, J. Clarke 247. Single-molecule force spectroscopy in vestigations of DNA-drug interactions. R. Krautbauer, S. Allen, I. Tessmer, G. Skin ner, L. H. Pope, T. E. Schrader, J. E. Molloy, S. J. B. Tendler, H. E. Gaub 248. Dynamics of bond breaking studied by chemical force microscopy. S. Zepeda, C. A. Orme, Y. Yeh, J. J. DeYoreo, A. Noy 249. Homophilic interactions of type I and type II classical cadherins: Comparison of kinetic parameters. E. Perret, A-M. Benoliel, P. Nassoy, A. Pierres, J-P. Thiery, P. Bongrand, H. Feracci 250. Withdrawn. 251. Withdrawn. 252. Friction of hydrogel surfaces. S. Zauscher 253. Improved range and resolution in scan ning force microscopy force measure ments. B. A. Todd, F. R. Zypman, S. J. Eppell 254. Influence of aging on interaction be tween STMV particles. Y. G. Kuznetsov, A. McPherson 255. Lattice-gas simulations of temperature quenching in surfactant systems. B. F. Gregor, B. Boghosian 256. Quantification of rupture forces between a drug-enzyme complex. S. RigbySingleton, S. Allen, M. C. Davies, C. J. Roberts, S. J. B. Tendler, P. M. Williams, J. Davies 257. Redesign of replacement lung surfac tant to reduce inhibition by serum proteins. H. Warriner, J. Ding, A. J. Waring, J. Zasadzinski 258. Rheological probing of intermolecular interactions in xanthan polysaccharide. D. A. Brant, H-C. Lee 259. Surfactant-induced alterations in lipo some structure modulate in vivo clearance behavior. B. J. Lestini, Z. Xu, M. S. Shive, M. A. Ruegsegger, J. M. Anderson, R. E. Marchant 260. Effect of chitosan molecular weight in gene delivery process. V. Chan, H-Q. Mao, K. W. Leong 261. Examination of the effect of stress on streptavidin-biotin/integrin-fibronectin bonds at the cell-substrate interface with the AFM-TIRFM. A. B. Mathur, E. W. Inge, W. M. Reichert, G. A. Truskey 262. Single-molecule forces between α5β1 integrins and GRGDSP peptideamphiphiles. E. Kokkoli, M. V. Tirrell 263. Control of cell death by the smart poly meric vehicle. K. Fujimoto, C. Iwasaki, C. Arai, M. Kuwako, E. Yasugi

Photographing of slides and/or taping of talks is prohibited unless permission is obtained from individual presenters C & E N / M A R C H 5, 2 0 0 1

103

COLL/TECHNICAL PROGRAM

264. Measuring excipient-excipient and drugexcipient interactions using atomic force microscopy. A. Morales, C. R. Cabrera, R. Romanach 265. Membrane-thinning effect of ethanol: A micropipette aspiration approach. H. V. Ly, M. L. Longo Molecular Tribology 266. Nanocomposite molecular coatings from elastomeric/rigid polymers: Fabrication, morphology, and micromechanical proper ties. D. Julthongpiput, I. Luzinov, A. Sidorenko, P. D. Bloom, V. V. Sheares, V. V. Tsukruk 267. Lubrication mechanisms of tricresylphosphate on Cr and Fe surfaces at el evated temperatures: An atomic-scale view. M. Abdelmaksoud, B. Borovsky, J. Krim 268. Metal carbide electronic structure ef fects on surface chemistry and tribology. S. V. Didziulis, P. Frantz, S. S. Perry, L. Fernandez 269. Nonequilibrium molecular dynamics simulation of molecularly thin lubricant films. Z. Su, J. E. Curry 270. Time-dependent adhesion in asperityasperity contacts. C. Xu, J. M. Helt, J. D. Batteas M Molecules as Components in Electronic Devices 271. Toward molecular implementations of quantum-dot cellular automata. M. Lieberman, Y. Wang, S. Chellamma 272. Pentacoordinate bis(8-hydroxyquinaldine) carboxylate gallium(lll) chelates: Effect of halogenation of the carboxylate ligand on electroluminescence properties. S. Nanayakkara, A. Padmaperuma, J. Marshall, R. Schofield, D. Fogarty, L. Sapochak 273. Thermal stability studies of molecular organic materials used in organic lightemitting devices. D. Fogarty, G. Schmett, F. Endrino, L. Sapochak 274. Gas-phase photoelectron spectroscopy as a tool for understanding the electronic structures of components in electronic de vices: Metalloporphyrins and metallophthalocyanines. N. E. Gruhn, D. L. Lichtenberger, F. A. Walker, N. R. Armstrong 275. Architecture in molecular electronics: Prototyping electronics behaviors in mole cules. C. Gorman, C. Cameron, W. J. Kwon M Thin Films: Preparation, Characterization, and Applications 276. Adsorption of xanthate and multilayer film formation with metals. M. Hepel, M. Scendo 277. Close-packed particle assemblies on patterned polyelectrolyte multilayer films. H. Zheng, X. Jiang, I. Lee, K. M. Chen, L. C. Kimerling, M. F. Rubner, P. T. Ham mond 278. Controlling molecular alignment in monolayer alkane films using a liquidcrystal template procedure. A. Hamilton, D. L. Patrick 279. Electrodeposition of molybdenum nanowires. M. P. Zach, R. M. Penner 280. Fabrication and characterization of selfassembled alkanethiol monolayers using STM. F. Tian, D. Wang, J. G. Lu 281. Layer-by-layer assembled gradient CdTe/polymer films. A. A. Mamedov, N. A. Kotov 282. Nanolithography of alkylsilane selfassembled monolayers on Si(100). J. M. Helt, J. D. Batteas

283. Polymer metallization: Surface reac tions, thermodynamic models, and impli cations for interfacial properties. H. Fairbrother, S. Carlo, J. Torres, C. Perry 284. Porphyrin-based molecular memory: Development of "solid state" device. R. Dabke, A. A. Yasseri, Z. Liu, W. G. Kuhr, D. F. Bocian, J. S. Lindsey 285. Studies related to the design of a molec ular octal counter. K. Roth, D. F. Bocian, W. G. Kuhr, J. S. Lindsey 286. Protein patterning on thin film. R. Sadamoto, K. Niikura, N. Nagahori, K. Yamada, S-l. Nishimura 287. Role of oxygen in the thermal annealing of gold thin films. D. P. Pullman, G. Gidofalvi, D. DeBry, A. Anderson, B. DeBruler 288. Selective adsorption of molecular QCA candidates, t-[[(acac)2Ru2]bptz$]0,+1, on chemically modified surfaces. M. Lieberman, B. Varughese, S. Chellamma 289. Single and multiple polymer chain dy namics near surfaces. J. E. Bemis, B. Janesko, S. Al-Maawali, Β. Β. Akhremitchev, G. C. Walker 290. Study of self-assembled monolayers of biphenyl derivatives by scanning probe microscopies. M. Fujihira, A. Nakasa, U. Akiba 291. Surface-induced ordering in polymers. J. E. Macdonald, M. Durell, C. Lu, R. A. L. Jones, P. Jukes, M. Grell 292. Synthesis and characterization of tetraphenyl porphyrin tetrathiolacetyl monolay ers on gold surface. Q. Zhang, B. S. T. Kasibhatla, C. P. Kubiak 293. Synthesis and characterization of zirconium-10/phosphonodecyl disulfide monolayer. M. Lieberman, X. Wang

TUESDAY MORNING Section A Wyndham Emerald Plaza Crystal Ballroom I Molecular Tribology Nanotribology

A. J. Gellman, V. V. Tsukruk, Organizers V. V. Tsukruk, Presiding 8:30—Introductory Remarks. 8:35—294. Tribological challenges in microelectromechanical systems. R. Maboudian 9:15—295. Nanotribology by AFM on multiwall carbon nanotubes. S. Decossas, A. M. Bonnot, L. Patrone, F. Comin, J. Chevrier 9:40—296. Probing intermolecular forces and potentials with magnetic feedback chemical force microscopy. P. D. Ashby, L. Chen, C. M. Lieber 10:05—297. SFM tip manipulation of single atomic layer growth on inorganic crystal surfaces. J . T. Dickinson, R. Hariadi, S. C. Langford 10:30—Intermission. 10:40—298. Chemical modification of the in terfacial frictional properties of vanadium carbide through ethanol adsorption. S. S. Perry, B-l. Kim, R. Guenard, L. Fernan dez, S. V. Didziulis, P. Frantz 11:05—299. Surface friction studies of hydrogel contact lenses using AFM: Noncross-linked polymers at the surface. S. H. Kim, C. Marmo, G. A. Somorjai 11:30—300. Quantitative materials property measurement at the nanoscale through hybrid nanoindentation. S. A. S. Asif, R. J. Colton, K. J. Wahl

Section Β Wyndham Emerald Plaza Opal

A Catalysis •


•


M. P. Soriaga, Presiding

Ν Materials ^


•


^

Presidential Series

104

C&EN/

Η Thin Films: Preparation, Characterization, and Applications Oxide Thin Films

M A R C H 5, 2 0 0 1

8:30—301. Keynote Address. Epitaxial electrodeposition of metal oxide semicon ductors. J. A. Switzer 9:10—302. Preparation and characterization of thin layers T i 0 2 modified on hollow glass microbeads. J. Zhao, M. Zhao, L. Liu

9:30—303. Colored passive layers on titani um: Preparation, characterization, and ap plications. G. Jerkiewicz, S. Hrapovic, B. L. Luan, G. Vatankhah 10:00—304. Structure and electronic proper ties of self-assembled macrocycle and polymer multilayers on conductive oxides. L S. Li, D. Jan, Q. X. Jia, A. D. Q. Li 10:30—305. Modification of charge-transfer rates at indium/tin oxide surfaces. C. L. Donley, N. R. Armstrong 10:50—306. Chemically attached organic monolayers on silica nanoparticles as an NMR relaxation medium for embedded polynuclear aromatic hydrocarbons. E. W. Hagaman, A. C. Buchanan III, L. J. Koran 11:10—461. Competitive vapor adsorption onto nanoparticle thin films studied by in situ FTIR and surface plasmon resonance. B. L. Frey, C. R. Evans, T. A. Spurlin 11:30—307. Grignard reagent formation on oxide-coated Mg surfaces. M. P. Soriaga, J. A. Abreu, J. L. Stickney, J. F. Garst

Section C Wyndham Emerald Plaza Diamond 1 M Dynamics of Self-Organization of Amphiphiles and Colloids Applications

M. Abe, O. D. Velev, Presiding 8:30—308. Active control of solubilization with photoelectro-switchable surfactants. M. Abe, H. Sakai 9:00—309. Protein crystals as novel biomaterials: Characterization and photomanipu lation. Ο. D. Velev, S. R. Dziennik, E. W. Kaler, A. M. Lenhoff 9:20—310. Functionalized lipid membranes: Sensor materials and self-organizing structures. D. Y. Sasaki 9:40—311. Chemical recognition induced molecular reorganization in lipid mem branes. J. A. Last, T. A. Waggoner, D. Y. Sasaki 10:00—312. Design of novel surfactantencapsulated polyoxometal late clusters as part of functional devices. D. Volkmer, D. G. Kurth 10:20—313. Characterization and kinetics of the photoinduced formation of silver parti cles. G. A. Gaddy, J. L. McLain, S. V. Ruggs, B. L. Slaten, G. Mills 10:40—314. Self-assembly of spherical col loids into well-defined clusters and struc tures. Y. Yin, Y. Lu, Y. Xia 11:00—315. Polymerization of lyotropic liquid crystals of heterobifunctional lipids. S. Liu, D. F. O'Brien 11:20—316. Dynamics of polymerization in n-octadecyltrimethoxysilane monolayers. S. R. Carino, R. S. Underhill, H. Tostmann, J. T. Culp, L. Gower, R. Baney, R. S. Duran

Section D Wyndham Emerald Plaza Diamond II Applications of Nanotechnologies in the New Millennium Molecular and Biomolecular Electronics

J. A. Schwarz, C. I. Contescu, Organizers R. R. Birge, Presiding 8:30—Introductory Remarks. 8:40—317. Multifunctional optical security systems based on bacteriorhodopsin. N. Hampp, M. Neebe 9:10—318. Holographic camera system based on bacteriorhodopsin. T. Juchem, N. Hampp 9:35—Intermission. 9:50—319. Nanoscale optoelectronic photosynthetic devices. E. Greenbaum, I. Lee, M. A. Guillorn, J. W. Lee, M. L. Simpson 10:20—320. Volumetric optical memory based on bacteriorhodopsin. J. A. Stuart, D. L. Marcy, R. R. Birge 10:50—321. DNA chips based on polymer brushes. J. Riihe, S. Golze, D. Freidank, S. Mohry, H. Klapproth 11:10—Concluding Remarks.

Section Ε Wyndham Emerald Plaza Topaz Inter- and Intramolecular Forces in Biological Systems Cosponsored with Division of Biochemical Technology J. Wong, J . H. Hon, Presiding 8:30—Introductory Remarks. 8:35—322. Differences in the interactions of biological and colloidal surfaces. J. N. Israelachvili 9:05—323. Binding force and surface char acterization of nonspecifically adsorbed protein. T. E. Kriewall II, S. L. McArthur, D. G. Castner 9:25—324. Dynamics of tethered ligandreceptor interactions. C. M. Marques, J. Y. Wong, T. L. Kuhl, C. Jeppesen, J. N. Israelachvili, N. Mullah, S. Zalipsky 9:55—Intermission. 10:15—325. Hydration forces on proteinresistant polyethylene oxide surfaces. J. G. Kushmerick, H. I. Kim, P. D. Hampton, J. E. Houston, B. C. Bunker 10:35—326. Adhesion, friction, and mechan ical properties of EG3-terminated SAMs in water. H. I. Kim, J. G. Kushmerick, P. D. Hampton, B. C. Bunker, J. E. Houston 10:55—327. Effect of humidity and tempera ture on surface-grafted poly(ethylene gly col) as probed by pulsed-force-mode scanning force microscopy. D. R. Staarup, Y. S. Jun, W. L. Gladfelter, X. Zhu, G. Haugstad 11:15—328. Nanomechanics of cartilage: In vestigation of macromolecular intermolec ular interactions via high-resolution force spectroscopy. C. Ortiz, J. Seog, D. Dean, S. Wong-Palms, A. Plaas, A. J. Grodzinsky Section F Wyndham Emerald Plaza Crystal Ballroom II Chemistry at Solid Surfaces Model Catalyst Surface Chemistry H. H. Lamb,

Presiding

8:30—329. Cluster deposition studies of im pact dynamics and chemistry on support ed clusters. M. Aizawa, M. Popescu, S. Lee, S. L. Anderson 9:05—330. Clusters of nickel and cobalt pro moters on molybdenum disulfide. P. S. Weiss, S. A. Kandel, P. Han 9:40—331. Surface chemistry of sizeselected, gas-phase nanoparticles. J. T. Roberts, K. Higgins, M. Zachariah, H. Jung 10:15—332. Promotion of CO electrooxidation by ruthenium and tin on Pt(111), Pt(110). Β. Ε. Hayden 10:50—333. Metathesis chemistry on molyb denum carbide. P. H. McBreen, H. Oudghiri-Hassani, M. Siaj, S. Lavoie, E. M. Zahidi 11:10—334. Particle size effects in adsorp tion and reaction of ethene and hydrogen on palladium model catalysts. S. K. Shaikhutdinov, M. Heemeier, M. Baurner, T. Lear, D. Lennon, R. J. Oldman, S. D. Jackson, H-J. Freund 11:30—335. Simulations of CO oxidation on Pt-electrolyte interface: Effect of anions and binding energy of CO. C. Saravanan, N. Markovic, P. Ross, M. Head-Gordon • Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)



TUESDAY AFTERNOON Section A Wyndham Emerald Plaza Crystal Ballroom I Awards Symposium

R. Nagarajan, Organizer A. T. Hubbard, Presiding 2:00—Introductory Remarks. B. Koel 2:10—336. Award Address (Arthur W. Adamson Award for Distinguished Service in the Advancement of Surface Chemistry, sponsored by Occidental Petroleum Corp.). Photochemistry and photophysics at adsorbate-metal interfaces. J. M. White 3:00—Introductory Remarks. D. W. Good man 3:10—337. Award Address (ACS Award in Colloid or Surface Chemistry, sponsored by Procter & Gamble Co.). Energetics of metal nanoparticles on MgO(100) by ad sorption microcalorimetry: Model oxidesupported metal catalysts. C. T. Campbell 4:00—Introductory Remarks. E. Iglesia 4:10—338. Award Address (ACS Award for Creative Research in Homogeneous or Heterogeneous Catalysis, sponsored by Shell Oil Foundation). Contributions of mechanistic studies to understanding cat alyst structure-performance relationships. A. T. Bell

Section Β Wyndham Emerald Plaza Opal M Thin Films: Preparation, Characterization, and Applications Compound Deposition

M. L Foresti, Presiding 2:00—339. Keynote Address. Atomic layer deposition of AI2O3, ZnO, and A^Oa/ZnO nanolaminates using sequential surface reactions in a viscous flow reactor. S. M. George, J. W. Elam, M. D. Groner 2:40—340. Scanning tunneling microscopy of thin-film Al 2 0 3 . C. C. Chusuei, X. Lai, Q. Guo, K. Luo, D. W. Goodman 3:10—341. Solution chemical routes to lowdimensional thermoelectric materials. Z. Ding, L. Viculis, J. Nakawatase, R. B. Kaner 3:30—342. Experimental and theoretical studies on branched electrodeposits in thin-layer cells. G. Marshall, F. V. Molina, G. A. Gonzalez, S. Dengra 4:00—343. Solution-based approaches for processing CulnSe2 thin films. S. Menezes 4:30—344. Morphology evolution in the for mation of CdTe using electrochemical atomic layer epitaxy. K. Varazo, T. L. Wade, M. Lay, U. Happek, J. L Stickney 5:00—345. Deposition and characterization of ultrathin layers of compound semicon ductors on Ag(111). M. L Foresti, F. Forni, M. Innocenti, F. Loglio, G. Pezzatini

Section C Wyndham Emerald Plaza Diamond 1 H Dynamics of Self-Organization of Amphiphiles and Colloids Air-Liquid Interfaces

J. Eastoe, C. D. Bain, Presiding 2:00—346. New techniques for studying ad sorption dynamics of surfactants at airwater interfaces. C. D. Bain 2:30—347. Adsorption dynamics of surfac tants. J. Eastoe, A. Rankin, C. D. Bain, D. Strykas, R. Wat 3:00—348. Adsorption of dipalmitoylphosphatidylcholine and bovine serum albumin at the air-water interface. X. Wen, E. I. Franses 3:30—349. Use of molecular dynamics simu lations to identify activation barriers for ad sorption of surfactants at the surface of water. N. L. Abbott, J. Y. Shin 3:50—350. Dynamic surface tension study of a redox-active ferrocenyl surfactant. S. S. Datwani, C. Rosslee, N. L. Abbott, K. J. Stebe


4:10—351. Adsorption of trisiloxane and polyethoxylate surfactants at the hydro phobic solid/water and air/water interfac es: A comparison of the controlling mech anisms. A. Couzis, C. Maldarelli, N. Ku mar 4:40—352. Surfactant solutions exhibit a crit ical wetting concentration. R. M. Hill, J. Dong, G. Mao 5:10—353. Direct study of surfactant aggre gation by atomic force microscopy imaging and force measurements. G. Mao, J. Dong

Section D Wyndham Emerald Plaza Diamond II Applications of Nanotechnologies in the New Millennium Nanocarbons

P. C. Eklund, Presiding 2:00—Introductory Remarks. 2:05—354. Catalytic formation of novel car bon nanostructures using cesium. H. C. Foley 2:35—355. Vapor-grown carbon and nanofibers obtained by hydrocarbon pyrolysis. M. Endo, T. Hayashi, Y. A. Kim, T. Matushita 3:00—356. Unconventional magnetism of nanographite. T. Enoki, N. Kawatsu, Y. Shibayama, H. Sato 3:25—357. Carbon nanotubes: A thermo electric chemical sensor. P. C. Eklund, G. U. Sumanasekera, C. K. W. Adu, B. K. Pradhan 3:50—Intermission. 4:05—358. Use of carbon nanofibers for microfiltration applications. S. Awasthi, D. Wilson 4:30—359. Carbon nanotube composites as porous media. S. M. Jaffe, D. F. Johnson, B. J. Craft 4:55—360. Carbon nanotube probes: SPM probe technology for the future. L. Chen, C-L. Cheung, K. Haushalter, G. Verdine, C. Lieber 5:20—Concluding Remarks. • Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)

WEDNESDAY MORNING Section A Wyndham Emerald Plaza Opal Molecular Tribology Self-Assembled Monolayers and Surface Force Apparatus

S. S. Perry, Presiding 8:30—Introductory Remarks. 8:35—361. Frictional properties of selfassembled monolayers: Effect of adsorbate chain length and terminal group chemistry. G. J. Leggett, B. D. Beake, N. J. Brewer 9:15—362. Nanotribological characteristics of alkyltrichlorosilane monolayers pre pared by the LB method. A. Takahara, K. Kojio, T. Kajiyama 9:40—363. In situ vibrational spectroscopy of thin organic films in tribological contacts. C. D. Bain, D. A. Beattie, S. A. Haydock, M. Jenkins 10:05—364. Frictional properties of chain al cohols and the dynamics of layering tran sitions. F. Mugele, M. Salmeron 10:30—Intermission. 10:40—365. Density variations and structur al forces of confined fluids. M. P. Heuberger, M. Zàch, N. D. Spencer 11:05—366. Influence of molecular architecture on thin-film rheology of synthetic lubricants. P. Frantz, Y. Zhu, X. Zhang, S. Granick 11:30—367. Theory of boundary lubrication: Squeezing and sliding of molecular thin lubrication films. B. Persson

Section D

Section Β Wyndham Emerald Plaza Crystal Ballroom I


Chemistry at Solid Surfaces Model Catalyst Surface Chemistry

Applications of Nanotechnologies in the New Millennium Preparation and Unique Properties of Nanodimensional Particles

P. S. Weiss, Presiding 8:30—368. Enantiospecific adsorption on perfect and thermally roughened chiral Pt surfaces. D. S. Sholl, T. D. Power, A. Asthagiri 8:50—369. Adsorption geometry of modifiers in chiral catalysis. J. Kubota, F. Zaera 9:25—370. Characterization of surface de fects on flat and porous MgO surfaces. Z. Dohnalek, G. A. Kimmel, D. E. McCready, J. S. Young, A. Dohnâlkovà, S. A. Joyce, P. Ayotte, R. S. Smith, B. D. Kay 10:00—371. Influence on strongly activated processes by clean, defect, and modified surfaces. I. Chorkendorff 10:35—372. Fast X-ray photoelectron spectroscopy as an in situ surface reaction probe. A. F. Lee, K. Wilson, R. M. Lambert 10:55—373. In situ soft X-ray studies of defect reactivity: Oxidation of CO on Pt(411) in pressures of oxygen. H. D. Lewis, D. J. Burnett, A. M. Gabelnick, J. L. Gland, D. A. Fischer 11:15—374. In situ studies of CO oxidation on a 100-Λ Pt/Al203 thin film. D. J. Burnett, A. L. Marsh, J. L. Gland, D. A. Fischer

Section C Wyndham Emerald Plaza Diamond 1 M Dynamics of Self-Organization of Amphiphiles and Colloids Solid-Liquid Interfaces

A. Couzis, E. I. Franses, Presiding 8:30—375. Dynamics of micelles of surfac tant dimers and of amphiphilic polyethyl ene oxide)-poly(propylene oxide)-poly(ethylene oxide) block copolymers in aqueous solution. R. Zana, G. Waton, B. Michels, W. Ulbricht 9:00—376. Cluster patterning of lysozyme adsorbed at the mica-water interface. C. J. Radke 9:30—377. Characterizing the interaction of polypeptides with phospholipid bilayers: A Monte Carlo simulation study. M. L. Longo, M. W. Maddox 9:50—378. Ion channeling and film dynamics phenomena in model biomembranes stud ied with EQCN and QCI techniques. M. Hepel 10:10—379. Phase transition of environmen tally responsive elastin biopolymers ad sorbed on gold nanoparticles studied by colloidal surface plasmon resonance. A. Chilkoti, N. Nath 10:30—380. Monitoring the real-time, in situ kinetics of self-assembly processes by sum frequency generation. K. A. Briggman, L. J. Richter, C. Yang, J. C. Ste phenson 10:50—381. Intrinsic adsorption kinetics of triblock copolymer surfactants on selfassembled monolayers using surface plasmon resonance spectroscopy. P. Brandani, P. Stroeve 11:10—382. Forces between tethered polyelectrolyte chains adsorbed onto hydrophobically modified mica. M. Balastre, P. Schorr, M. V. Tirrell 11:30—383. Measuring forces between "comb polymer"-stabilized polymer colloi dal particles. S. Olugebefola, S. Y. Park, P. Banerjee, A. M. Mayes, J. Iyer, C. Bembenek, P. T. Hammond

K. Putyera, Presiding 8:30—384. Fabrication and self-assembly of 1-D nanostructures. Y. Yin, B. Gates, Y. Xia 8:50—385. Solution-phase approach to large-scale synthesis of uniform nanowires of semiconductors. B. Mayers, B. Gates, Y. Xia 9:10—386. Photoinduced structural change of metal nanoparticles on glass under po larization. K. Murakoshi, Y. Nakato 9:30—387. Novel application of glow dis charge mass spectrometry (GDMS) for the trace elemental analysis of submicron thin films. A. Efimov, M. Kasic, K. Putyera 9:50—388. Scanning probe lithograpy to form nanoscale patterned surfaces. R. Fuierer 10:10—Intermission. 10:25—389. Nanostructuring and phase be havior of confined liquids in the boundary regimes to solid interfaces. M. He, R. M. Overney 10:45—390. Nanometer-scale surface modi fication of ionic crystals by electron irradi ation in the presence of water. J. T. Dick inson, M. Dawes, S. C. Langford 11:05—391. Rapid thermal quenching in a subatmospheric fluidized bed chamber to prepare nanoscale powders. K. R. Sharma 11:25—392. New synthetic route in obtaining mixed oxides: Polynuclear coordination compounds as precursors for spinel and perovskite oxides. L. Patron, O. Carp, I. Mandru, E. Modrogan 11:45—Concluding Remarks.

Section Ε Wyndham Emerald Plaza Topaz Adamson Award Symposium Honoring J. Michael White Surface Chemistry in Semiconductor Growth/Processing

C. T. Campbell, X. Zhu, Organizers X. Zhu, Presiding 8:30—Introductory Remarks. 8:45—393. Industrial development: Academ ic research partnership: Surface science and the deposition and characterization of thin-film materials for deep submicron inte grated circuit devices. R. L. Hance 9:15—394. Surface and structure analysis for ultrathin multilayer structures. Y-M. Sun, S. Y. Lee, J. M. White, J. G. Ekerdt 9:45—395. CVD of high-k delectric materials. J. W. Rogers Jr. 10:15—396. Interfacial chemistry of the Ba(Sr)/silicon oxynitride/silicon nanostructure. J. G. Ekerdt, P. D. Kirsch 10:45—397. Chemical vapor deposition of ti tanium dioxide thin films using single pre cursors. S. S. Lee, J. S. Hyun, J. H. Jeong, S-J. Ku, W. Koh, C. G. Kim, Y. Kim 11:15—398. Review of the chemistry of com pound semiconductor MOCVD. J. R. Creighton

Section F Wyndham Emerald Plaza Crystal Ballroom II M Membranes: Surface and Performance Membrane Separation

A. E. Childress, S. Chellam, H. P. Hsieh, W. J. Koros, Organizers A. E. Childress, S. Chellam, Presiding


8:30—Introductory Remarks. 8:35—399. Comprehensive approach to membrane fouling. J. A. Brant, A. E. Chil dress 9:00—400. Membrane fouling: Measurement and correlation with surface properties. K. R. Williams, G. Kassalainen, R. Hartman, W. Mickols

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COLL/COMPATECHNICAL PROGRAM

9:25—401. Membrane surface modification and backpulsing for fouling control. R. H. Davis, H. Ma, C. N. Bowman 9:50—402. Surface energy from contact an gles: Incorporating surface roughness us ing AFM for synthetic membranes. M. Taniguchi, G. Belfort 10:15—Intermission. 10:25—403. Flex test: A fluorescent dextran test for membrane characterization. P. Mulherkar, R. van Reis 10:50—404. Diffusive transport of disinfec tion by-product precursors across nanofiltration membranes. S. Chellam 11:15—405. Sorption and mass transfer in a high free volume polymer. S. W. Ruther ford, J. E. Coons 11:40—406. Development of highly hydrophilic ultrafiltration membrane with and without surface charge. S. W. Lin-Ho Sr., J. H. Espinoza-Gomez A Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)

WEDNESDAY AFTERNOON Section A Wyndham Emerald Plaza Opal Molecular Tribology Novel Tribological Problems and Applications

M. P. Heuberger, Presiding 2:00—Introductory Remarks. 2:05—407. Reactions of aromatic phosphate esters with Fe, Cu, and their oxides. C. S. Saba, N. H. Forster 2:45—408. Chemistry of sputter-deposited MoS2 films: Effect of gaseous environ ment. J. R. Lince, P. D. Fleischauer, S. V. Didziulis 3:10—409. Molecular mechanism of auto matic transmission lubrication studied with a novel interfacial rheometer. H. Ohtani, Y. Zhu, M. L. Greenfield, M. Ruths, S. Granick 3:35—410. Machining lubricants: What they do and how they work. W. T. Tysoe 4:00—Intermission. 4:10—411. Influence of a dendrimer interlayer on ultrathin-film metal deposition. S. C. Street, A. Rar, G. Wei, M. Curry, J. A. Bar nard 4:35—412. Nanocomposite coatings from thermoplastic elastomer as a compliant molecular lubricant. I. Luzinov, D. Julthongpiput, V. Gorbunov, V. V. Tsukruk 5:00—413. Molecular-level biotribology: Boundary lubrication in the hip implant. N. D. Spencer Section Β Wyndham Emerald Plaza Crystal Ballroom I M Thin Films: Preparation, Characterization, and Applications Nanostructures

G. Zangari, Presiding 2:00—414. Keynote Address. Controlling kinetics and mechansims in reactions of thin films. D. C. Johnson 2:40—415. Electrodeposition of nanostructured mesoporous selenium films. I. S. Nandhakumar, G. S. Attard

3:10—416. Template synthesis of magnetic nanostructures, spin-polarized currents, and applications to magnetic random ac cess memories. J-E. Wegrowe, P. Guittienne, D. Kelly, X. Hoffer, J-P. Ansermet 3:40—417. Self-assembled magnetic arrays by anodization and electrodeposition. G. Zangari, M. Sun, R. Metzger 4:10—418. Electronic communication with encapsulated materials in sol-gel thin films through a polythiophene "molecular wire". W. J. Doherty III, S. S. Saavedra, N. R. Armstrong 4:30—419. EQCN study of electrocatalytic oxidation of methanol at core-shell nanostructured catalyst. J. Luo, Y. Lou, M. M. Maye, C-J. Zhong, M. Hepel 4:50—420. Investigation of structure in dia mond thin films using 13C MAS and 2-D exchange MAS NMR spectroscopy. T. M. Alam, T. A. Friedmann, P. A. Schultz, A. Jurewicz

Section C Wyndham Emerald Plaza Diamond 1 M Molecules as Components in Electronic Devices Sensors

D. Walt, Presiding 2:00—421. Using quantum dots and molecu lar wires for chemical sensing. M. J. Sail or, W. C. Trogler, S. Letant, H. Sohn, P. Zmolek, J. Gao, Y. Fainman, F. Xu, P. Shames 2:30—422. Photonic crystal chemical sen sors: Nanoscopic molecular control of dif fraction from mesoscopic periodic struc tures. S. A. Asher, M. Kamenjicki, I. Lednev, J. Keim 3:00—423. Understanding DNA flexibility: Relevance to molecular-scale devices based on DNA. C. J. Murphy 3:30—Intermission. 3:50—424. Polymer-nanocrystal photovoltaics. J. M. J. Fréchet, A. P. Alivisatos 4:20—425. Nanoparticle-based bioanalysis. C. D. Keating, L. He, S. Nicewarner, B. D. Reiss, D. Pena, G. P. Goodrich, M. J. Natan, T. E. Mallouk

Section D Wyndham Emerald Plaza Diamond II Applications of Nanotechnologies in the New Millennium The Critical Role of Nanotechnology in Heterogeneous Catalysis

S. Soled, Presiding

Section Ε

•


•


Adamson Award Symposium Honoring J. Michael White Oxide Surfaces: Growth, Characterization, and Catalysis

M Materials Β. Ε. Koel,

^


•



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M A R C H 5, 2 0 0 1

Section F Wyndham Emerald Plaza Crystal Ballroom II M Membranes: Surface and Performance Membrane Separation

S. Chellam, A. E. Childress, Presiding 2:00—Introductory Remarks. 2:05—438. In situ identification of the loca tion of protein fouling on porous ceramic membranes. J. R. Lu 2:30—439. Separations of light gases using zeolite membranes: Comparisons be tween experiment and atomistic theories. D. S. Sholl, A. Skoulidas, T. C. Bowen, J. L. Falconer, R. D. Noble 2:55—440. Preparation of micron-scale, PdCu/ceramic composite membranes for hy drogen separation. J . D. Way, R. L. McCormick, F. Roa 3:20—441. Porous membranes via colloidal templating. W. A. Goedel, H. Xu 3:45—Intermission. 3:55—442. Use of ion-exchange membrane adsorbers for production of biopharmaceuticals. S. Nochumson, P. Kostel, S. Zhang 4:20—443. Charged ultrafiltration mem branes for protein processing. V. A. Tegoulia, R. van Reis 4:45—444. Microporous and semipermeable membrane performance in wastewater reclamation applications. S. S. Deshmukh, G. L. Leslie, A. E. Childress, S. Sethi, G. J. G. Juby, E. M. Martin 5:10—445. Preparation of oriented zeolite membranes via pulsed laser ablation. K. J. Balkus Jr., D. Coutinho, L. Washmon • Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71) THURSDAY MORNING

2:00—Introductory Remarks. 2:10—426. Design and synthesis of nanostructured materials. J. Y. Ying 2:40—427. Acid and redox catalysis on oxide nanostructures. E. Iglesia 3:10—Intermission. 3:25—428. Use of combinatorial methods for advancing nanocatalyst technology. M. Bricker, D. S. Bern, R. Gillespie, G. Lewis, J. Holmgren, D. Akporiaye, A. Karlsson, M. Plassen, R. Wendelbo 3:50—429. Steam-stable aluminosilicate molecular sieves assembled from zeolite seeds. Y. Liu, W. Zhang, T. J. Pinnavaia 4:15—430. Design of porous metal-organic frameworks on minimal surfaces. Ο. Μ. Yaghi, B. Chen, M. O'Keeffe 4:40—Concluding Remarks.

Wyndham Emerald Plaza Topaz

A Catalysis

3:00—433. Oxygen-induced regrowth of Ti0 2 on bulk-reduced TiO2(110): Growth kinetics and the influence of morphology on surface chemistry. M. A. Henderson, J. L. Daschbach, U. Diebold 3:30—434. Surface chemical reactivity of single-crystal metal carbides. S. S. Perry, R. Guenard, S. V. Didziulis, P. Frantz, L. Fernandez 4:00—435. Reactions between coadsorbates on Rh loaded CeOx thin films. D. R. Mullins, S. H. Overbury, L. Kundakovic 4:30—436. Reactivity of oxygen-modified Ru(001) surface in the transformation of alkyl species. J. Kiss, A. Kis, F. Solymosi 5:00—437. One-step synthesis of MIBK from acetone over Ni/CaO catalyst. H-l. Lee, B-Y. Coh

Presiding

2:00—431. Characterization of surface de fects on MgO thin films by UV photoelectron and metastable impact electron spec troscopies. D. W. Goodman, A. Kolmakov, J. Stultz 2:30—432. In situ XPS study of surface re dox processes. C. A. Mims, G. Vovk, X. P. Chen

Section A Wyndham Emerald Plaza Opal Molecular Tribology Head-Disk Interface in Magnetic Data Storage

S. C. Street, Presiding 8:30—Introductory Remarks. 8:35—446. Perfluoropolyethers with dialkylamine end groups: Ultrastable lubricants for hard disk storage device applications. P. Kasai 9:15—447. Entropically shifted thermal tran sitions of monolayer lubricants and exotic tribological properties. C. Buenviaje, R. J. Waltman, G. W. Tyndall, J. E. Frommer, R. M. Overney 9:40—448. Pushing perfluoropolyether mole cules across surfaces using air shear. M. A. Scarpulla, C. M. Mate 10:05—449. Effect of humidity on lubricated carbon overcoats. N. Shukla, R. V. D. Veerdonk, A. J. Gellman, X. Ma, J. Gui 10:30—Intermission. 10:40—450. In situ Raman spectroscopy of lubricated sliding contacts. P. C. Stair, C. U. A. Cheong 11:05—451. Tribology of molecularly thin perfluoropolyether films at high speeds. A. T. Laschitsch, G. W. Tyndall, D. Johannsmann, L. E. Bailey, C. W. Frank 11:30—452. Nanostress behavior of interfacially confined liquids. R. M. Overney, M. Bammerlin, M. He, A. Szuchmacher, S. Sills

Section Β Wyndham Emerald Plaza Crystal Ballroom I M Thin Films: Preparation, Characterization, and Applications Self-Assembly

J. L. Stickney, Presiding 8:30—453. Insights in surface chemistry gained from investigations using selfassembled monomolecular films. P. E. Laibinis 9:00—454. Characterization and modifica tion of substrates using molecular film as semblies. J. P. Santos, E. R. Welsh, A. Singh, R. R. Price, B. P. Gaber 9:20—455. Application of self-assembled monolayers as models for polymeric inter faces. H. Fairbrother, S. Carlo, J. Torres, A. Wagner 9:40—456. Study of conformational evolution in self-assembled n-octadecyltrichlorosilane monolayers. Y. Liu, L. K. Wolf, M. C. Messmer 10:00—457. Use of self-assembled monolay ers in high-resolution PES and electronic structure studies. D. L. Lichtenberger, P. A. Lee, J. K. Padden Metzker 10:20—458. Humidity effect on the stability of an octadecyltriethoxysilane monolayer self-assembled on mica. S. Kim, J. E. Curry 10:40—459. Chemical vapor deposition of silanes on plain and microfabricated sili con surfaces. K. C. Popat, T. A. Desai 11:00—460. Nanocomposite ultrathin films of silicate clay and polyelectrolytes: Deposi tion parameters and mechanical proper ties by nanoindentation. X. Fan, R. C. Advincula 11:20—461. Competitive vapor adsorption onto nanoparticle thin films studied by in situ FTIR and surface plasmon resonance. B. L. Frey, C. R. Evans, T. A. Spurlin

Section C Wyndham Emerald Plaza Diamond 1 M Molecules as Components in Electronic Devices Interfacial Issues in Polymer-Based Devices

M. C. Lonergan, Presiding 8:30—462. Conjugated polymer interfaces based on internally compensated poly mers. M. C. Lonergan, B. Langsdorf, C. Cheng, S. Boettcher 9:00—463. Blends and multilayer heterostructures: Simple strategies for fabricat ing thin-film devices with enhanced perfor mance. M. Rubner 9:30—464. Molecular engineering of conju gated polymer interfaces for optoelectron ic devices. S. A. Jenekhe 10:00—465. Methylation and coordination geometry effects on electroluminescence properties of metal quinolate chelates. F. Endrino, J. Marshall, D. Fogarty, N. Washton, S. Nanayakkara, P. Nachimuthu, R. Schofield, L. Sapochak 10:15—Intermission. 10:30—466. Photovoltaic properties of conju gated polymer heterojunctions. M. M. Alam, S. A. Jenekhe 10:45—467. Photoelectron spectroscopy of interfaces in polymer-based electronic de vices. W. R. Salaneck 11:15—468. Physics and chemistry at organ ic transistor interfaces. A. Dodabalapur, J. H. Schon, B. Crone, C. Kloc, A. Gelperin, H. E. Katz, Z. Bao, B. Batlogg, A. J. Lovinger, L. Torsi



Section D Wyndham Emerald Plaza Diamond II Applications of Nanotechnologies in the New Millennium Sensors

R. S. Glass, Presiding 8:30—469. Designing pore and solid net works in nanostructured architectures to optimize molecular response. D. R. Rolison 9:00—470. Scanometric DNA-detection with nanoparticle probes: Eliminating the need for fluorescence-based detection and PCR amplification. C. A. Mirkin, T. A. Taton, R. L. Letsinger 9:30—471. Integrated chemical microsensors for microrobotic platforms. R. C. Hughes, M. W. Jenkins 10:00—472. Luminescent quantum dots and SERS-active nanoparticles for ultrasensi tive imaging and sensing. S. Nie 10:30—Intermission. 10:45—473. Sensors based on sol-gel en capsulation methods. B. Dunn, J. Cox, E. Lan, J. I. Zink 11:15—474. Integrated nanotubes for chem ical sensors. H. Dai 11:45—475. Characterization of microbial cell membrane and nanoparticle interac tions. D. Williams, S. H. Ehrman, T. R. Pulliam Holoman 12:05—476. Microfluidic optical chemosensor. C. M. Rudzinski, D. G. Nocera

Section Ε Wyndham Emerald Plaza Topaz Adamson Award Symposium Honoring J. Michael White Self-Assembled Monolayers and Biological Interfaces

10:50—488. Tuning silica membranes. C. M. Braunbarth, C. J. Brinker 11:15—489. Ultrathin, layered polyelectrolyte films as ion-selective membranes. J. J. Harris, J. L. Stair, M. L. Bruening A Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)

THURSDAY AFTERNOON Section A Wyndham Emerald Plaza Opal Molecular Tribology Theory

Section D

V. V. Tsukruk, Presiding 2:00—Introductory Remarks. 2:05—490. Tribology of alkane monolayers: The effects of tip flexibility and defects. J. A. Harrison, P. T. Mikulski, S. J. Stuart 2:45—491. Anomalous increase of friction in the vicinity of nanosize defects. I. Sokolov 3:10—492. Understanding how molecular ar chitecture impacts the performance prop erties of synthetic lubricants under ex treme conditions via molecular simulation. E. J. Maginn, L. I. Kioupis 3:35—493. Molecular dynamics simulation of wearless molecular frictional behavior ob served by friction force microscopy. M. Fujihira, T. Shiokawa, T. Ohzono 4:00—Intermission. 4:10—494. Molecular simulation of adsorbed monolayer contributions to sliding friction. M. L. Greenfield, H. Ohtani 4:35—495. Desorption kinetics of oligomeric lubricants from surfaces. A. J. Gellman, K. R. Paserba 5:00—496. Molecular dynamics studies on friction and anisotropy at metal interfaces. W. A. Goddard III, Y. Qi, T. Cagin, Y-T. Cheng

C. T. Campbell, Presiding

Section Β

8:30—Introductory Remarks. 8:45—477. Self-assembled monolayers as molecular-level lubricants. J. E. Houston 9:30—478. Study of the development of selforganized fibrous nanostructures on poly[(aminopropyl)siloxane] films. J. Lozano, H. Cabibil, V. Pham, H. Celio, R. M. Win ter, J. M. White 10:00—479. Probing adsorption/desorption processes at the liquid-solid interface: Thi ols and proteins. C. T. Campbell 10:30—480. Organic monolayer assemblies on silicon and silica surfaces via covalent linkages. X. Zhu 11:00—481. Modification of organic layers at germanium surfaces. C. M. Greenlief 11:30—482. Dynamics of alkyl chains in selfassembled monolayers exposed to mercu ry vapor. G. J. Szulczewski, T. Morris, J. Sun, D. Liu

Section F Wyndham Emerald Plaza Crystal Ballroom II M Membranes: Surface and Performance Amphiphilic Assemblies in Separation Processes

M. Clark, K. Stebe, H. P. Hsieh, W. J. Koros, Organizers

Wyndham Emerald Plaza Crystal Ballroom I M Thin Films: Preparation, Characterization, and Applications Biological Thin Films

M. P. Soriaga, Presiding 2:00—497. Determination of molecular struc ture at polymer-glass interfaces by sumfrequency generation. K. A. Briggman, L. J. Richter, P. T. Wilson, J. C. Stephenson, W. E. Wallace 2:20—498. Crystalline β-sheet monolayers: A new class of ordered molecular tem plates. H. Rapaport, D. A. Tirrell 2:40—499. Micron-scale patterned plastic surfaces for controlling cell growth: A mod ified lithographic approach. K. J. Thomas, R. M. Crooks 3:00—500. Characterization of polyethyl ene) glycol thin films on silicon for implant able microdevices. S. Sharma, R. W. Johnson, T. A. Desai 3:20—501. Extended interaction of endothe lial cells to a surface-initiated polymer. T. A. Lang, M. D. K. Ingall, P. A. Bianconi 3:40—502. Lipid polymer films: Potential platforms for biosensor applications. Ε. Ε. Ross, A. Spratt, D. F. O'Brien, S. S. Saavedra

M. Clark, K. Stebe, Presiding 8:30—Introductory Remarks. 8:35—483. Biochemistry at membrane sur faces. D. Leckband 9:00—484. Feasibility study for the concen tration of TNT and RDX from pink water using equilibrium dialysis with nonionic and cationic surfactant micelles. Y-K. Choi, R. Haye, M. M. Clark, B-J. Kim 9:25—485. Selective guest-host association on self-assembled monolayers of calix[4]resorcinarence. V. K. Gupta, J. D. Faull 9:50—486. Investigation of proton-exchange membrane fuel cells operating above 100 °C. K. T. Adjemian, S. Srinivasan, A. B. Bocarsly 10:15—Intermission. 10:25—487. Exploring plasma modification of porous materials: From molecules to thin films. M. Steen, E. Fisher


3:10—506. Ordered molecular layers of squaraine dyes. B. A. Parkinson, N. Takeda, M. Stawasz 3:30—507. Assembling fullerene clusters as 3-D nanostructures: Applications in electrocatalysis and photoelectrochemistry. P. V. Kamat, S. Barazzouk, S. Hotchandani 3:50—508. Effect of molecular properties on electron transmission through organic monolayer films. D. Waldeck, A. Napper, H-Y. Liu, H. Yamamoto 4:10—Intermission. 4:20—509. Controlling the spectral and dy namical properties of metal nanoparticles. G. V. Hartland 4:40—510. Charge-transfer rates and molec ular orientation at indium-tin oxide/organic interfaces. C. L. Donley, N. R. Armstrong

Section C Wyndham Emerald Plaza Diamond 1 H Molecules as Components in Electronic Devices Photovoltaic Devices

P. V. Kamat, Presiding 2:00—503. Supramolecular components in photovoltaic devices. G. J. Meyer 2:20—504. New method for manufacturing dye-sensitized solar cells on plastic sub strates. A. Hagfeldt, S-E. Lindquist, H. Lindstrom 2:40—505. Comparing several types of or ganic semiconductor-based photovoltaic cells. B. A. Gregg, A. J. Breeze, S-G. Liu 3:00—Intermission.


COMP DIVISION OF COMPUTERS IN CHEMISTRY R. A. Wheeler, Program Chair

SOCIAL EVENT: Poster Session/Social Hour, Tue BUSINESS MEETING: Sat

H Membranes: Surface and Performance Amphiphilic Assemblies in Separation Processes

K. Stebe, M. Clark, Presiding 2:00—Introductory Remarks. 2:05—511. External control of ion transport in nanoporous membranes modified by self-assembled monolayers. K-Y. Chun, P. Stroeve 2:30—512. Self-associating structure of trisiloxane superwetters at the liquid-solid in terface. G. Mao, J. Dong, R. M. Hill 2:55—513. Absorption studies of organic va pors on siloxane-based self-assembled monolayers with varying structures. A. Couzis, C. Sekhar 3:20—514. Imaging of adsorption and selforganization of amphiphiles at aqueous liquid-crystal interfaces. N. L. Abbott, J. Brake 3:45—Intermission. 3:55—515. Mathematical model for encapsu lation by interfacial polymerization: Dense and porous capsule walls. J. Ji, R. F. Childs, M. Mehta 4:20—516. Performance of model mem branes under applied stress. T. K. Vanderlick, S. D. Shoemaker 4:45—517. Understanding multicomponent transport in a polymer membrane for the separation of interacting mixtures. Y. A. Elabd, T. A. Barbari

Section Ε Wyndham Emerald Plaza Topaz Adamson Award Symposium Honoring J. Michael White Surface Photochemical Dynamics and Energetic Processes

J. W. Rogers Jr., Presiding 2:00—518. Surface femtochemistry and time-resolved vibrational dynamics. M. Wolf 2:45—519. Photodissociation dynamics of f-butyl nitrite on Ag(111): Characterization of translationally and internally excited NO fragments. W. Zhao, C. Kim, S. K. Kim, J. M. White 3:15—520. Identification of adsorbed phenyl (C 6 H 5 ) groups on metal surfaces: Electron-induced dissociation of benzene on Au(111). B. E. Koel, D. Syomin, G. B. Ellison 3:45—521. Reversible metachromasy of dyes on oxides. S. R. Coon, S. M. Badger II, N. L. Littlefield, T. Y. Zakharian, E. J. Puchkova, S. P. Loheide, V. N. Pak 4:15—522. Energetic neutral atom beam thin-film materials chemistry. M. A. Hoffbauer, J. C. Gregory 4:45—523. Atomic hydrogen-induced chemi cal and physical processes on and in Si(100). S. K. Jo, J. Y. Maeng, S. Kim, J. H. Kang, X. Yan, J. M. White

SUNDAY MORNING Section A Hyatt Regency Regency A • Energy Landscapes of Proteins, Glasses, and Clusters: Dynamics, Folding, Function, and Prediction Cosponsored with Division of Physical Chemistry

J. N. Onuchic, C. L. Brooks III, D. J. Wales, R. M. Stratt, Organizers 8:30—Introductory Remarks. 8:50—1. Award Address (ACS Award for Computers in Chemical & Pharmaceutical Research) Protein folding: Simple insights into a complex reaction. M. Karplus 9:30—Intermission. 9:50—2. Experimental landscapes for protein folding and misfolding. C. M. Dobson 10:30—3. Strip mining the energy landscape for physical insights. F. H. Stillinger 11:10—4. Wandering home in many dimen sions: Trails of crumbs? R. S. Berry

Section Β Hyatt Regency Windsor A-B • Artificial Intelligence in Computational Chemistry

C M . Breneman, Organizer 9:00—Introductory Remarks. 9:10—5. Self-organizing neural networks in drug design. J. Gasteiger 9:30—6. Comparison of 3-D physicochemical properties of ligands for the thrombox ane A2 receptor using the Kohonen selforganizing maps technique. J. Petit, D. P. Vercauteren, J-M. Dogne, F. Durant 9:50—7. QSARs for binding affinity of inhibi tors of human type 1 5a-reductase using structure-based descriptors. G. A. Bakken, P. C. Jurs 10:10—Intermission. 10:25—8. Boosting support vector machines for VHTS, ADME, and QSAR. C. M. Bren eman, K. P. Bennett, M. J. Embrechts, J. Bi, A. Demiriz, L. Lockwood Jr., M. Mom ma, N. Sukumar 10:45—9. Text-influenced molecular index ing. S. B. Singh, R. D. Hull, E. M. Fluder 11:05—10. Quantitative structure-activity re lationship models for the prediction of se lective cyclooxygenase-2 inhibition. G. W. Kauffman, P. C. Jurs 11:25—11. Genetic algorithms for chemoinformatics. B. K. Lavine, C. Davidson

Section C Hyatt Regency Windsor C • Computational Studies of Reaction Mechanisms and Enzyme Modes of Action

T. Clark, Organizer


8:30—Introductory Remarks. 8:40—12. DNA alkylation and photoionization patterns in the interior of guanine runs. P. R. LeBreton, Q. Zhu 13. Withdrawn.

C & E N / M A R C H 5, 2 0 0 1

107

COMP/TECHNICAL PROGRAM

9:40—14. Theoretical studies of DNA deamination: Pyrimidine ring opening and recyclizations in the nitrosative deaminations of guanine, cytosine, and adenine. R. Glaser, S. Rayât, M. Lewis, T. Carl, B. Hodgen 10:10—Intermission. 10:40—15. Conservation of electrostatic properties within enzymefamilies and superfamilies. D. R. Livesay, S. Subramaniam 11:00—16. Development and application of a new computational approach for studying enzyme reactions. Y. Zhang, H. Liu, W. Yang 11:20—17. Form, function, and dynamics of tetrapyrroles in proteins. J. A. Shelnutt 11:40—18. Novel insights into reaction mechanisms from computer-aided chemistry. D. Gallagher

SUNDAY AFTERNOON Section A Hyatt Regency Regency A • Energy Landscapes of Proteins, Glasses, and Clusters: Dynamics, Folding, Function, and Prediction Cosponsored with Division of Physical Chemistry

J. N. Onuchic, C. L. Brooks III, D. J. Wales, R. M. Stratt, Organizers 2:00—19. Energy landscapes and beyond. P. G. Wolynes 2:40—20. Structural properties and mechanistic role of early intermediates in protein folding. H. Roder, M. C. R. Shastry, H. Cheng 3:20—21. Dynamics of the primary processes of protein folding: Helix nucleation. J. H. Werner, R. M. Fesinmeyer, N. H. Andersen, R. B. Dyer 3:50—Intermission. 4:00—22. Exploring the energy landscape of peptides in explicit solvent. A. E. Garcia, K. Y. Sanbonmatsu 4:40—23. FOLD-X: An algorithm to predict and engineer folding pathways. L. Serrano, R. Guerois

Section Β Hyatt Regency Windsor A-B • Artificial Intelligence in Computational Chemistry

C. M. Breneman, Organizer 1:30—24. Improving activity classification of high-throughput screening data. A. Calvet, K. Johnson, G. Cowan 1:50—25. Overview of evolutionary algorithm applications in computer-aided molecular design. D. E. Clark 2:10—26. Comparisons of genetic algorithmbased descriptor selection methods for QSAR. M. J. Embrechts, C. M. Brene man, K. P. Bennett 2:30—Intermission. 2:45—27. Pattern recognition techniques in drug discovery. W. G. Richards, D. D. Robinson 3:05—28. Empirical intelligence in physicalproperty prediction. R. S. DeWitte, E. Kolovanov

3:25—29. Investigation of the performance and optimal composition of a genetic algo rithm for the parametrization of the MM3 force field. T. Strassner, M. Busold, W. A. Herrmann 3:45—Concluding Remarks.

Section C

Section C

Hyatt Regency Windsor C • Computational Studies of Reaction Mechanisms and Enzyme Modes of Action T. Clark,

10:10—44. Linear-scaling DFT calculations with numerical atomic orbitals. P. Ordejon, J. M. Soler, E. Artacho, J. Javier, D. Sanchez-Portal, G. Alberto, J. Gale 11:05—45. Local methods for dynamical and nondynamical electron correlation. M. P. Head-Gordon

Organizer

1:30—30. Effect of surface phosphorus on the oxidative dehydrogenation of ethane: A first-principles investigation. A. Maiti, P. Kung, D. King-Smith, J. E. Miller, C. Zhang, G. Whitwell 2:00—31. Computational mechanistic stud ies to rationalize unusual stereo- and regiochemical outcomes of of extrusion/ insertion reactions of iodine(lll) and palla dium^) reagents. H. S. Rzepa, S. MartinSantamaria, D. A. Widdowson, M. Carroll, V. Pike 2:30—32. Recent applications of density functional theory to complex reaction mechanisms. J. Weber, P. Boulet, F. Gilardoni, A. Goursot, M. J. Mayor-Lopez, H. Sidorenkova, T. A. Wesolowski 3:00—Intermission. 3:30—33. Nucleophilic or electrophilic phosphinidene complexes LnM=PH: What makes the difference? K. Lammertsma 4:00—34. Catalytic formation of threemembered rings: Comparing epoxidation, aziridination, and cyclopropanation. P-O. Norrby, T. Rasmussen, P. Brandt, C. Linde 4:30—35. Monte Carlo simulations of bimolecular electron transfer between myoglo bin and cytochrome b5. I. V. Kumikov, Z-X. Liang, J. M. Nocek, B. M. Hoffman, D. N. Beratan

MONDAY MORNING Section A

Hyatt Regency Windsor C • Computational Studies of Reaction Mechanisms and Enzyme Modes of Action

8:00—46. Computational modeling of elec tron transfer in AhpF: Sequence, structure, function, and mechanism. A. Nayeem, L. Poole 8:20—47. Possible electron-transfer path way^) in nitrogenase: Application of a new semiempirical technique. T. Herz, N. Richards, J. R. Sabin 8:40—48. Role of quantum mechanical tun neling in enzyme catalysis explored by QM/MM calculations. I. H. Hillier, N. A. Burton, P. Faulder, L. Jitariu, R. M. Nicoll 9:10—49. Using computer simulations to elu cidate the origin of enzyme catalysis. A. Warshel, J. Villa, M. Strajbl, J. Floriàn 9:4fJ—Intermission. 10:10—50. DFT investigations of transitionmetal-dependent enzymes. N. Richards, A. J. Boone, C. Chang, T. Herz 10:40—51. Hydrolysis of cyclic phosphodiester in ribonuclease A: An ab initio molecular dynamics study. F. Alber, P. Carloni 11:10—52. Theoretical characterization of the reaction intermediates in models of the nickel-iron and Fe-only hydrogenases. M. B. Hall

Section D Hyatt Regency Gibbons A-B * • Designing Focused Libraries for Drug Discovery: Hit to Lead to Drug

C. H. Reynolds, A. Tropsha, Organizers, Presiding

• Energy Landscapes of Proteins, Glasses, and Clusters: Dynamics, Folding, Function, and Prediction Cosponsored with Division of Physical Chemistry

8:45—Introductory Remarks. 9:00—53. Some nontrivial aspects of "similarity" in the contexts of focused library design and near-neighbor searching. R. S. Pearlman, Κ. Μ. Smith 9:30—54. Combinatorial library design using both properties and 3-D pharmacophore fingerprints. B. R. Beno, J. S. Mason 10:00—Intermission. 10:15—55. Combinatorial library design for maximum information. J. E. Eksterowicz, E. R. Evensen, C. H. Lemmen, G. P. Bra dy Jr., P. D. J. Grootenhuis, J. M. Blaney, D. C. Spellmeyer 10:45—56. Methods for compound selection focused on hits and application in drug discovery. F. Lebreton Stahura, L. Xue, J. Bajorath 11:15—57. Virtual high-throughput screening of large datasets using TAE/RECON de scriptors. N. Sukumar, C. M. Breneman, W. P. Katt

8:30—36. Energy landscapes: From clusters to biomolecules. D. J. Wales 9:10—37. Constrained simulations to test Adam and Gibbs theory. R. J. Speedy 9:50—38. Energy landscapes and dynamical anomalies in supercooled liquids. M. Dzugutov 10:10—Intermission. 10:30—39. Equilibrium and dynamical inher ent structures: A cluster perspective. J. D. Doll 11:10—40. Potential energy landscapes and melting behavior of (H 2 0) n and (H 2 0) n H + clusters. K. D. Jordan 11:50—41. Exploring energy landscapes us ing "ion chromatography." M. F. Jarrold

MONDAY AFTERNOON Section A

Section Β

A Catalysis •


•


Ν Materials "jar Medicinal & Pharmaceutical •


^

Presidential Series

108

C & E N / M A R C H 5. 2 0 0 1

Section Β Hyatt Regency Windsor A-B

T. Clark, Organizer

Hyatt Regency Regency A

J. N. Onuchic, C. L. Brooks III, D. J. Wales, R. M. Strati, Organizers

3:00—60. Ab initio prediction of the struc tures of clusters, crystals, peptides, and proteins. H. A. Scheraga, A. Liwo, J. Pillardy, J. Lee, C. Czaplewski, D. R. Ripoll, R. Wawak, Y. A. Arnautova, W. J. Wedemeyer, J. A. Saunders, K. D. Gibson 3:40—Intermission. 3:50—61. Evolutionary perspectives on pro tein folding. R. A. Goldstein 4:30—62. Associative memory Hamiltonians for structure prediction without homology. C. Hardin, M. Eastwood, Z. LutheySchulten, P. G. Wolynes

Hyatt Regency Windsor A-B

Hyatt Regency Regency A

• Methods for Addressing Time- and Length-Scale Problems in Molecular Simulations Cosponsored with Division of Physical Chemistry

• Energy Landscapes of Proteins, Glasses, and Clusters: Dynamics, Folding, Function, and Prediction Cosponsored with Division of Physical Chemistry

M. Challacombe, Organizer

J. N. Onuchic, C. L Brooks III, D. J. Wales, R. M. Stratt, Organizers

8:00—Introductory Remarks. 8:05—42. Locality principle of chemistry and its reflection in O(N) algorithms. S. Goedecker 9:00—43. Linear-scaling methods for DFT calculations on very large systems with plane-wave accuracy. M. J. Gillan, D. R. Bowler

2:00—58. Prediction of protein structure and function on a genomic scale. J. Skolnick, A. Kolinski, P. Rotkiewicz, B. Ilkowski 2:40—59. Prediction of folding mechanism for circular-permuted proteins. C. demen ti, P. A. Jennings, J. N. Onuchic


M. Challacombe, Organizer 1:00—63. Targeting specific eigenvectors with an arbitrary selection criteria. A. R. Tackett 1:55—64. Efficient computation of HartreeFock exchange matrices. E. Schwegler 2:50—Intermission. 3:10—65. Combining linear scaling and parallelization techniques in the Amsterdam Density Functional program. S. J. A. van Gisbergen, C. Fonseca Guerra, E. J. Baerends 4:05—66. Linear-scaling Gaussian orbital methods for the ab initio simulation of pe riodic systems. C. J. Tymczak, M. Challa combe

Section C Hyatt Regency Windsor C • Computational Studies of Reaction Mechanisms and Enzyme Modes of Action

T. Clark, Organizer 1:30—67. Reaction mechanisms driven by the Jahn-Teller effect. I. B. Bersuker 2:00—68. QM/MM studies on reactions in volving organic substrates and enzyme models. J. Chandrasekhar, W. L. Jorgensen 2:30—69. How do substrates enter and prod ucts exit the buried active sites of cyto chrome P450 enzymes? An investigation by molecular dynamics simulation. R. C. Wade, P. Winn, S. K. Luedemann, R. Gauges, V. X. H. Lounnas 3:00—Intermission. 3:30—70. Mode of action of zinc-p-lactamases. Κ. Μ. Merz Jr. 4:00—71. β-Lactamase: A semiempirical study and novel mechanism. W. A. King, T. Clark 4:20—72. Reaction mechanism of protein ki nases studied by semiempirical calcula tions. V. Helms, M. C. Hutter 4:40—73. Study of the reaction mechanism of bovine lens leucine aminopeptidase us ing semiempirical methods. G. Schuerer, T. Clark

Section D Hyatt Regency Gibbons A-B * • Designing Focused Libraries for Drug Discovery: Hit to Lead to Drug

C. H. Reynolds, A. Tropsha, Organizers, Presiding 1:30—74. Methods for library design and comparison. R. P. Sheridan 2:00—75. Multiobjective approach to combi natorial library design. V. J. Gillet, W. Khatib, P. Willett, P. J. Fleming, D. V. S. Green 2:30—76. Computational design of libraries. D. S. Hartsough 3:00—Intermission.



3:15—77. On the similarity of chemistry spaces. G. M. Maggiora, V. Shanmugasundaram 3:45—78. Library design using deterministic inverse imaging. J-L. Faulon, M. D. Rintoul, D. P. Visco Jr. 4:15—79. Using topomer shape similarity to design "lead-hopping" libraries. R. D. Cra mer M O N D A Y EVENING Convention Center Sails Pavilion

10:45—92. Field-induced geometrical relaxation effects in molecular rectifiers by ab initio quantum chemical calculations. B. Champagne 11:10—93. Influence of correlation and electron reduction on electronic transport properties of a molecular device. Y. Luo, C-K. Wang, Y. Fu 11:35—94. Computational studies of mixedvalence molecules for use in molecular electronics. O. Wiest, S. Braun-Sand

Section D Hyatt Regency Gibbons A-B

Sci-Mix

R. A. Wheeler, Organizer

M • Designing Focused Libraries for Drug Discovery: Hit to Lead to Drug

8:00-10:00 136, 134, 135, 125, 123, 132, 133, 141, 140, 143, 139, 180, 218, 172, 171, 149, 168, 160, 159, 157, 148, 156, 181, 182. See

A. Tropsha, C. H. Reynolds, Presiding

subsequent listings.

TUESDAY MORNING Section A Hyatt Regency Regency A • Energy Landscapes of Proteins, Glasses, and Clusters: Dynamics, Folding, Function, and Prediction Cosponsored with Division of Physical Chemistry

J. N. Onuchic, C. L. Brooks III, D. J. Wales, R. M. Stratt, Organizers 8:30—80. Glass formation and liquid fragility interpreted in the landscape paradigm. C. A. Angell 9:10—81. Thermodynamics and aging of su percooled liquids: The energy landscape approach. F. Sciortino 9:30—82. How far do protein structures dic tate the pathway of folding? The "fold ap proach." J. Clarke, E. Cota, S. B. Fowler, S. J. Hamill, A. Steward, C. Chothia 10:10—Intermission. 10:30—83. New methods for distributed dy namics: Folding proteins in all-atom detail with thousands of PCs. V. S. Pande 11:10—84. Multiple deep folding funnels and the winding index. C. R. Locker, R. Her nandez 11:30—85. IBM's Blue Gene Project to study protein folding: Early status report. W. Swope

Section Β Hyatt Regency Windsor A-B • Methods for Addressing Time- and Length-Scale Problems in Molecular Simulations Cosponsored with Division of Physical Chemistry

M. Challacombe, Organizer 8:00—86. Efficient algorithms for densitymatrix calculations and for geometry opti mization. K. Németh, G. Ε. Scuseria, Ο. Coulaud, G. Monard, J. G. Ângyân 8:55—87. On complexity reduction for density-matrix computations. G. Beylkin, M. J. Mohlenkamp 9:50—Intermission. 10:10—88. Multiresolution density-matrix scheme for electronic structure calculations. A. M. N. Niklasson, C. J. Tymczak, H. Roder 11:05—89. Multiscale methods for solution of the Kohn-Sham equations. T. L. Beck

Section C Hyatt Regency Windsor C • M Computational Studies of Molecular Electronic Devices

O. G. Wiest, Organizer 9:00—Introductory Remarks. 9:05—90. Molecular bridges, molecular wires, and molecular interconnects: Mechanisms. M. Ratner, A. Nitzan, V. Mujica 9:50—91. Conductance in molecular films. A. M. Bratkovsky, P. E. Kornilovich 10:35—Intermission.


9:00—95. In silico library design tools. Κ. Μ. Merz Jr. 9:30—96. Subcellular pharmacokinetics in li brary focusing. S. Balaz, V. Lukacova 10:00—Intermission. 10:15—97. Computer simulations for druglead development. W. L. Jorgensen, J. Tirado-Rives, R. C. Rizzo, M. L. PlountPrice, D. Wang, A. C. Pierce 10:45—98. Lead generation demonstrated by the use of a novel shape-based de scriptor. R. V. Stanton, J. Srinivasan, E. K. Bradley, J. E. Eksterowicz, P. D. J. Grootenhuis 11:15—99. High-throughput lead discovery using predictive substructural analysis. D. Domine, J. Colinge, D. Church 11:45—Concluding Remarks. Advances in 3-D Searching and Pharmacophores cosponsored with Division of Chemical Information (see page 98)

TUESDAY AFTERNOON Section A Hyatt Regency Regency A • Energy Landscapes of Proteins, Glasses, and Clusters: Dynamics, Folding, Function, and Prediction Cosponsored with Division of Physical Chemistry

J. N. Onuchic, C. L Brooks III, D. J. Wales, R. M. Stratt, Organizers 2:00—100. Statistical mechanics of proteins: Perspective from analytical theory and simulations. E. Shakhnovich, J. Shimada, E. Kussell, N. Dokholyan 2:40—101. Molecular dynamics study of the mechanism and thermodynamics of fold ing of the src-SH3 protein. J-E. Shea, J. N. Onuchic, C. L. Brooks III 3:20—102. Evolutionary landscape of func tional model proteins. J. D. Hirst 3:40—Intermission. 3:50—103. Protein structure prediction using distance information. J-L. Faulon, M. D. Rintoul 4:10—104. Understanding the folding of β-sheet proteins: Connection between the ory and experiment. P. A. Jennings 4:50—105. Exploring conformational space in a de novo β-hairpin. H. Nymeyer, A. Garcia, J. Onuchic

Section Β Hyatt Regency Windsor A-B

4:05—109. Efficient Chebyshev expansion method for density functional theory calcu lations with Gaussian orbitals. C. Saravanan, R. Baer, M. Head-Gordon, P. N. Ross

Section C Hyatt Regency Gibbons A-B • M Computational Studies of Molecular Electronic Devices

O. G. Wiest, Organizer 1:30—110. Long-range electronic coupling of donor/acceptor sites in organic and organometallic systems: Theory and computa tion. M. D. Newton 2:15—111. Electronic transport in molecular devices. M. Di Ventra 3:00—Intermission. 3:10—112. Time-dependent density func tional evolution for studying molecular wires. R. Baer 3:35—113. Photoexcitations in poly(p-phenylenevinylene) thin films. G. Chen 4:00—114. Energy landscapes for exciton motion in disordered organic semiconduc tors. D. Yaron, M. Pasquinelli 4:25—Concluding Remarks.

Section D Hyatt Regency Windsor C • New Computer Architectures in Chemistry: Challenges and Benefits

A. C. Pineda, Organizer, Presiding 1:00—Introductory Remarks. 1:10—115. Advances in scalable cluster computing. M. S. Gordon, B. M. Bode, R. A. Kendall, D. Halstead 1:45—116. Performance of computational chemistry and materials codes on Linux superclusters. S. R. Atlas, A. C. Pineda, Β. Τ. Smith, F. L. Gilfeather, A. A. Mammoli, M. Mahmoodi, J. Chen, M. Enlow 2:20—117. Multithreaded shared memory parallel implementation of the electronic structure code GAMESS. Κ. Κ. Baldridge, B. Bolding 2:55—118. New and emerging technologies destined to influence the practice of com putational chemistry. T. M. Jackman 3:30—Intermission. 3:50—119. Scalability matters: High-per formance architectures for computational chemistry. J. Landman, D. Zirl, R. Gomperts 4:25—120. Computational symbiosis: Cou pling simulation and visualization on SMP machines. G. Johnson, A. Snavely 5:00—121. Mapping of parallel Monte Carlo and fast multipole algorithms on parallel machines. A. Majumdar Advances in 3-D Searching and Pharmacophores cosponsored with Division of Chemical Information (see page 99)

TUESDAY EVENING Convention Center Sails Pavilion General Posters

R. A. Wheeler, Organizer 7:00-10:00

M. Challacombe, Organizer

122. Electron derealization and the shell structure in atomic and molecular sys tems. P. M. Mitrasinovic 123. Following reaction pathways using a damped classical trajectory algorithm. H. P. Hratchian, H. B. Schlegel 124. Chemical graph theory approach for au tomated mechanism generation. A. T. Ratkiewicz, T. N. Truong

1:00—106. Linear-scaling gradients of densi ty functional theory. M. R. Salazar, M. Challacombe 1:55—107. Linear-scaling quantum chemis try calculation for excited states. G. Chen 2:50—Intermission. 3:10—108. Density-matrix minimization tech niques for linear-scaling DFT calculations using nonorthogonal localized basis sets. P. D. Haynes, C. K. Gan, M. C. Payne



125. Cost-effective computation strategy for modeling mechanism of carbon gasifica tion. A. Montoya, F. Modragon, T. N. Truong 126. Effects of hydrogen on the epitaxial growth of Ni. K. Haug 127. Hydrogénation of carbon monoxide on cobalt and rhodium. E. D. Glendening 128. Photocatalytic decomposition of NO on copper-exchanged ZSM-5: An embedded cluster approach. P. Treesukol, J. Limtrakul, T. N. Truong 129. A first-principles molecular dynamics simulation of magnesium ion in water. F. C. Lightstone, E. Schwegler, R. Q. Hood, F. Gygi, G. Galli 130. Time-dependent density functional theory study of the absorption spectra of substituted peroxy radicals. J. Weisman, M. Head-Gordon 131. Finite-field Lanczos method for calculation of hyperpolarizabilities. M. J. Ondrechen, L. F. Murga 132. On the prediction of nonlinear absorption for two-photon and reverse saturable absorption dyes using time-dependent density functional theory. K. A. Nguyen, P. N. Day, J. Kennel, R. Pachter 133. Ground and excited states of zinc complexes of porphyrin, tetraazaporphyrin, tetrabenzoporphyrin, and phthalocyanine: A density functional theory study. K. A. Nguyen, R. Pachter 134. Butadiene radical cations: Exploring the limits of DFT. J. Oxgaard, O. Wiest 135. Computational réévaluation of benzenechlorine atom complexation. W. J. Kelly 136. Permanganate: A DFT study on the oxidation mechanism. T. Strassner, M. Busold 137. Theoretical study of transition-metal pyranyl complexes. J. E. Eilers, M. A. Cooper, M. J. Shaw 138. Regiochemistry of aryl nitrenium ion adduct formation with guanine. G. P. Ford, J. M. Parks 139. Computational study on the reaction mechanism of histone deacetylases. D-F. Wang, P. Helquist, N. L. Wiech, O. G. Wiest, A. J. Oliver 140. Catalytic mechanism of haloalkane dehalogenase: A combined QM/MM study of the initial reaction step. L. S. D. Kesavan, J. Gao 141. Opsin shift of bacteriorhodopsin in a DPPC bilayer: A combined molecular dynamics/configuration interaction study. R. Rajamani, J. Gao 142. Computational study of the catalytic properties of dihydrofolate reductase. T. H. Rod, C. L. Brooks III 143. Computational studies of a metallo-βlactamase. F. R. Salsbury, C. L. Brooks III 144. Viral capsid chemistry: Understanding cleavage maturation in flock house virus. R. Morton, C. L. Brooks III, J. E. Johnson 145. Theoretical studies of RNA-metal bind ing. V. Tsui, D. A. Case 146. Entropy loss of hydroxyl groups of balanol upon binding to protein kinase A. J. A. McCammon, C. F. Wong, G. Gidofalvi 147. Predictive toxicology using quantum QSAR descriptors from excited states. S. Trohalaki, R. Pachter 148. Structure-activity relationships analysis using ab initio calculations and artificial neural networks. X. Tu, Ε. Geesaman, Κ. Wang, J. T. Arnason, C. M. Compadre, J. A. Darsey 149. Pharmacophore elucidation and com parison on ileal Na+/bile acid transporter inhibitors. X. Wang, W. J. Welsh, S. J. Tremont 150. Classification and regression tree mod el for prediction of potential estrogenic en docrine disruptors. H. Hong 151. Possible allosteric effects in anticancer compounds: A QSAR study. R. Garg, A. Kurup, C. Hansch 152. Comparative QSAR and toxicology of the aromatic nitro group. S. B. Mekapati, A. Kurup, R. Garg, C. Hansch 153. Comparative QSAR studies on topoisomerase-l inhibitors: Bi- and terbenzimidazoles. S. B. Mekapati, A. Kurup, R. Garg, C. Hansch 154. QSAR study on some tyrosine kinase inhibitors. A. Kurup, R. Garg, C. Hansch 155. Quantitative structure-permeability rela tionship analysis of diverse drug mole cules through MDCK cell monolayers. S. Ren, S. S. C. Huang, E. J. Lien

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COMP/ENVFVTECHNICAL PROGRAM

156. Using theoretical descriptors in linear free-energy relationships: pKa. I. Chambi, M. Payne, L. Wilson, G. Famini 157. Structure-activity relationships of artemisinin analogs by comparative molecular similarity indices analysis. M. AlvimGaston, Y. A. Sabnis, M. A. Avery 158. CoMFA analysis of methylphenidate an alogs with phenyl-ring substituents. C. A. Venanzi, R. A. Buono, M. Misra, O. Emenaka, Q. Shi, H. M. Deutsch, M. M. Schweri 159. Multiple conformer protocol: 3-D QSAR of flexible ligands. A. M. Doweyko 160. Profile-based recursive clustering algo rithm. O. Buzko, K. M. Shokat 161. Protein family clustering as an aid to drug design. D. F. Sitkoff, S. R. Krystek, D. A. Bassolino, D. L. Cheney, M. E. Davis, D. Loughney, J. S. Mason 162. Prediction of ferredoxin-like selenopro tein in Japanese encephalitis virus. H. Zhong, E. W. Taylor 163. Theoretical investigations of the δ-9 desaturase structure-function relationship. E. Vivas, C. Parish 164. Preparation of 3-D coordinates of small molecules from chemical structural formu la. K. Nakamura, A. Itai 165. Molecular modeling studies of the Mosher configurational model. R. Lom bard!, C. Parish 166. Comparing the conformational behavior of a series of enantiomeric cyclic urea HIV inhibitors using the low-mode and Monte Carlo conformational search methods. K. Sinclair, C. Parish 167. Molecular dynamics simulations and spectroscopic studies of amorphous tetraglyme [ C H 3 0 ( C H 2 C H 2 0 ) 4 C H 3 ] and tetraglyme:LiCF 3 S0 3 structures. R. A. Wheeler, J-K. Hyun, H. Dong, C. P. Rhodes, R. Freeh 168. Protocols for prediction of protein loop structure. D. L. Cheney, D. A. Bassolino, M. E. Davis, S. R. Krystek, D. R. Langley, T. R. Stouch 169. Conformational analysis of the nonplanar deformations of cobalt porphyrin com plexes in the Cambridge structural data base. L. Desai, M. Zimmer 170. Conformational/configurational analysis of all the binding geometries of cobalt(lll) bleomycin. F. Fedeles, M. Zimmer 171. Computation of DNA conformational transitions: Base slippage in d(CTG)n trip let repeat DNA. E. J. Chambers, E. A. Price, M. Bayramyan, I. S. Haworth 172. Procedure for selecting starting confor mations for energy minimization of nucleo sides and nucleotides. D. G. Harris, J. Shao, J. M. Anderson, D. P. Marx, S. S. Zimmerman 173. Theoretical study of microscopic molec ular structure of helicene/bisquinone ag gregates. H. S. Choi, K. S. Kim 174. Molecular modeling of full-length HIV-1 integrase and its complexes with viral and human DNAs. Y. Tang, M. C. Nicklaus 175. Computational studies of a new library of HIV-1 integrase inhibitors. H. Ni, C. Sotriffer, A. J. McCammon 176. Identification of potential inhibitors against HIV-1 integrase via computeraided drug design methods. I-J. Chen, N. Neamati, A. D. MacKerell Jr. 177. Docking and dynamics studies of li gands bound to HIV integrase. D. K. Chalmers, I. T. Crosby, J. Wielens

178. Comparative docking studies of the binding of polycyclic aromatic hydrocar bons to the estrogen receptor. K. W. Brown, S. B. Little, J. R. Rabinowitz 179. Docking and molecular dynamic studies of diacylglycerols binding to protein kinase C. S. Yan, D. M. Sigano, Y. Tang, J. H. Voigt, M. C. Nicklaus, V. E. Marquez 180. Comparative protein structure modeling and validation of falcipain2, a principal tro phozoite cysteine protease of Plasmodium falciparum. Y. A. Sabnis, P. J. Rosenthal, M. A. Avery 181. Rapid and accurate recognition of pat tern changes in 2-D NMR spectra. C. Peng, S. Szalma 182. MM3 parametrization of rhenium com pounds using a genetic algorithm. T. Strassner, M. Busold, W. A. Herrmann 183. Pseudo-atomic models of swollen CCMV from cryo-electron microscopy. H. Liu, C. Qu, J. E. Johnson, D. A. Case

WEDNESDAY MORNING Section A Hyatt Regency Manchester A • Energy Landscapes of Proteins, Glasses, and Clusters: Dynamics, Folding, Function, and Prediction Cosponsored with Division of Physical Chemistry

J. N. Onuchic, C. L Brooks III, D. J. Wales, R. M. Stratt, Organizers 8:30—184. Kinetic partitioning mechanism in protein folding. D. Thirumalai 9:10—185. Structural and energetic hetero geneity in protein folding. S. S. Plotkin 9:50—186. Mesoscopic simulation of protein aggregation as a competitive process to refolding at finite protein concentration. D. Bratko, H. W. Blanch 10:10—Intermission. 10:30—187. How a β-sheet folds. M. Gruebele 11:10—188. Studying the landscape of an α-helix using 2-D IR spectroscopy. M. T. Zanni, J. Stenger, S. M. Decatur, R. M. Hochstrasser 11:30—189. Electron- and energy-transfer probes of protein folding. J. C. Lee, J. Lyubovitsky, l-J. Chang, H. B. Gray, J. R. Winkler


M. Challacombe, Organizer 8:00—190. Multiscale quantum models for biological macromolecules. D. M. York 8:55—191. Toward all-electron modeling of biomolecular systems. Κ. Μ. Merz Jr. 9:50—Intermission. 10:10—192. Meeting the challenge of length scales in materials modeling. E. A. Carter 11:05—193. Use and accuracy of O(N) DFTbased, Green's function electronic struc ture calculations for atomic- and con tinuum-scale materials science problems. D. D. Johnson, A. V. Smirnov

Section C A Catalysis •


•


M Materials *W Medicinal & Pharmaceutical # Petroleum, Fuels & Related Chemistry f» Presidential Series

110

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Hyatt Regency Manchester Β

10:05—196. Modeling matter: New ChemCom strategies to develop student under standing in high school chemistry. L. Langdon, A. Powers, R. Milne, H. Heikkinen 10:25—197. Designing media for learning chemistry. M. Tinnesand, R. Tasker 10:45—198. Making animations work for you: Sacrificing accuracy for understand ing. J. L. March 11:05—199. Developing interactive educa tional animations using Macromedia Flash. S. M. Halpine 11:25—200. To visualize or not to visualize: That is the question. E. R. Scerri 11:45—Discussion. Structure-Based Data Mining cosponsored with Division of Chemical Information (see page 99) • Computational Chemistry and Molecular Modeling Instruction cosponsored with Division of Chemical Education (see page 96) Physical Organic Chemistry: Calculations, Mechanisms, and High-Energy Species cosponsored with Division of Organic Chemistry (see page 151)

WEDNESDAY AFTERNOON Section A Hyatt Regency Manchester A • Energy Landscapes of Proteins, Glasses, and Clusters: Dynamics, Folding, Function, and Prediction Cosponsored with Division of Physical Chemistry

J. N. Onuchic, C. L. Brooks III, D. J. Wales, R. M. Stratt, Organizers 2:00—201. Statistical theory for protein com binatorial libraries. J. G. Saven 2:40—202. New model for solvation effect in protein folding. M. S. Cheung, J. N. Onuchic 3:00—203. Mapping protein unfolding/folding at atomic resolution. V. Daggett 3:40—Intermission. 3:50—204. Dynamics of contact formation in polypeptides. L. J. Lapidus, W. A. Eaton, J. Hofrichter 4:3fJ—205. Prediction and design of protein structures and folding mechanisms. D. Baker 5:10—Concluding Remarks.

Structure-Based Data Mining cosponsored with Division of Chemical Information (see page 99) Computational Chemistry and Molecular Modeling Instruction cosponsored with Division of Chemical Education (see page 96)

WEDNESDAY EVENING Convention Center Sails Pavilion Poster Session • Energy Landscapes of Proteins, Glasses, and Clusters Cosponsored with Division of Physical Chemistry

J. N. Onuchic, R. A. Wheeler, Organizers 7:00-10:00 217. ProMatch: A program for distantly relat ed protein homology modeling. H. Zhong, E. T. Kraemer, E. W. Taylor 218. Structure and dynamics of zymogenic form of blood coagulation factor X: Molec ular dynamics investigation. D. Venkateswarlu, L. Perera, T. Darden, L. G. Pedersen 219. Computation of geometry necessary for nucleation: Self-assembly of diverse pep tides. P. V. Narutis 220. Computer prediction of the watermediated binding of peptides to class I MHC molecules. H-H. Bui, I. S. Haworth 221. Direct measurement of low-frequency dynamics of hydrated protein films using femtosecond Raman spectroscopy. C. J. Fecko, A. L. Stevens, J. D. Eaves, A. Tokmakoff

Section Β THURSDAY MORNING

Hyatt Regency Windsor A-B

Section A

• Methods for Addressing Time- and Length-Scale Problems in Molecular Simulations Cosponsored with Division of Physical Chemistry M. Challacombe,

Section C Hyatt Regency Manchester Β

R. S. Cole, Organizer, Presiding

Visualizing Chemistry: Using Animations, Graphics, and Modeling To Teach Chemistry J. L. March,

Hyatt Regency Windsor C Computers in Chemistry: General Theoretical C. F. W o n g ,

Organizer

1:00—206. Building large-scale polymeric systems. J-L. Faulon 1:55—207. First-principles molecular dynam ics simulations: Successes and open problems. G. Galli 2:50—Intermission. 3:10—208. Concurrent multiscale simulation and coarse-grained molecular dynamics. R. E. Rudd 4:05—209. Multiscale modeling of a proteinDNA complex. A. Balaeff, K. Schulten

Visualizing Chemistry: Using Animations, Graphics, and Modeling To Teach Chemistry

8:30—Introductory Remarks. 8:35—194. Using computer animations to help students acquire models and to help students visualize chemistry at the partic ulate nature of matter level of representa tion. T. J. Greenbowe 9:20—195. Using digitized video, virtual real ity, and molecular modeling in general chemistry. J. W. Moore, J. L. Holmes

3:05—212. Graphics augmentation of HyperChem using TCL scripts. R. Starkey, W. Shay 3:25—213. Using molecular origami to ex plore molecular structure and bonding. R. M. Hanson 3:45—214. Teaching structure-function rela tionships in proteins with RasMol and Mage. S. W. Weiner 4:05—215. Molecular modeling program for teaching biochemistry. J. C. Dabrowiak, P. J. Hatala, M. P. McPike 4:25—216. Synthesis, IR spectroscopy, and vibrational analysis of benzenetricarbonylchromium(O): An inorganic experiment in corporating molecular modeling. E. J. Voss, I. A. Parlatore, D. S. Baker 4:45—Discussion.

Presiding

1:30—Introductory Remarks. 1:35—210. Comparison of virtual models and hands-on models for teaching crystal lography. I. L. Kelly, W. R. Robinson 2:20—211. Dynamic visualization in chemis try: Using multimedia to enhance learning. J. P. Birk, D. E. Leedy, R. Morgan

Presiding

8:30—222. Modeling macroscopic transport through ordered nanoporous membranes from atomistic principles. D. S. Sholl, A. Skoulidas 223. Withdrawn. 8:55—224. Cooperative dynamics in glassy systems: Energy landscape model. U. Mohanty 9:20—225. Origin of the heat capacity peak in a glass-forming mixture. H. Fynewever, F. Padilla, P. Harrowell 9:45—226. Fast numerical integrator for nonstationary stochastic dynamics. E. Hershkovitz, R. Hernandez 10:10—227. Multiple Taylor series expan sions in geometry optimization of stereoregular polymers. B. Champagne, D. Jacquemin 10:35—228. Geometry optimization of solids using delocalized internal coordinates. J. W. Andzelm, R. D. King-Smith, G. Fitzgerald



11:00—229. Comparing the efficiency and accuracy of the projector augmented wave DFT method against Gaussian-based DFT methods. E. J. Bylaska, M. Valiev, J. H. Weare


M. Challacombe, Organizer 230. Withdrawn. 8:55—231. Multigrid methods for classical molecular dynamics. R. D. Skeel 9:50—Intermission. 10:10—232. Thermodynamical anomalies and optimization techniques. C. Tsallis 11:05—233. Quantum thermal annealing and sampling of systems with rough energy landscapes. B. J. Berne, Y-H. Lee


M. Challacombe, Organizer 1:00—248. Long-timescale simulations of surface processes within harmonic transition-state theory. H. Jonsson, G. Henkelman 1:55—249. Extending atomistic simulation time scales. A. F. Voter 2:50—Intermission. 3:10—250. Protracted colored-noise dynam ics: A novel method for the efficient relax ation of vitreous systems. J. W. Jenkins, P. J. Ludovice 4:05—251. Aggregation-volume-bias Monte Carlo: A novel Monte Carlo algorithm for simulating strongly associating fluids. B. Chen, J. M. Stubbs, J. I. Siepmann

Section C

Section C

Hyatt Regency Cunningham C

Hyatt Regency Cunningham C

Computers in Chemistry: General Biochemical

Computers in Chemistry: General Biochemical

W. D. Cornell, Organizer

W. D. Cornell,

8:30—234. "Four-phase" approach for priori ty setting of xenoestrogens. H. Fang, W. Tong 9:00—235. Carbohydrate-protein recognition in aqueous solution: Theoretical analysis of oligosaccharide binding to concanavalin A. R. A. Bryce 9:30—236. Comparative QSAR analyses of cyclooxygenase-2 inhibitors. R. Garg, A. Kurup, S. B. Mekapati, C. Hansch 10:00—237. Conformation substates and transitions in carbon monoxymyoglobin by conformational flooding simulations. J. D. Evanseck, B. G. Schulze, H. Grubmuller 10:30—238. Design and development of new inhibitors of prostate-specific membrane antigen. A. J. Oliver, O. G. Wiest, M. J. Miller, M. Tenniswood 11:00—239. Development of CBT receptorbased molecular superposition model for cannabimimetics. J-Y. Shim, W. J. Welsh, A. C. Howlett

1:00—252. Finding putative protein targets of a small molecule by a computer approach. Y. Z. Chen 1:30—253. Modeling the deamidation of asparagine residues via succinimide inter mediates in solution. V. Aviyente, A. Sungur Konuklar, G. Monard, M. Ruiz-Lopez 2:00—254. Pyridoxal phosphate in different protein environments: How does structure influence catalytic function? M. J. Ondrechen 2:30—255. Voltage-dependent interactions between the antimicrobial peptide alamethicin and model membranes. D. P. Tieleman, M. S. P. Sansom

Section Β

Organizer

ENYR

THURSDAY AFTERNOON Section A Hyatt Regency Windsor C Computers in Chemistry: General Theoretical

C. F. Wong, Presiding 1:00—240. Parallel adaptive solution of the Poisson-Boltzmann equation for large biomolecules. N. A. Baker, D. Sept, M. J. Hoist, J. A. McCammon 1:30—241. Desolvation-cavity-induced mi croscopic cooperativity in β-sheet forma tion. C-L Guo, H. Levine 2:00—242. Comparison of high-throughput property prediction methods. C. J. Blankley, Ε. Μ. Gifford 2:30—243. Application of nonparametric re gression to QSAR. J. D. Hirst 3:00—244. Advances in electronic propertyencoded molecular shape descriptors. C. M. Sundling, C. M. Breneman 3:30—245. Benzene quadrupolarity and arene-arene interactions. R. Glaser, Z. Wu 4:00—246. Quantitative characterization of the P-C bonds in ylides of phosphorus. P. M. Mitrasinovic, R. L. Fulton 4:3fJ—247. Temperature and energy depen dence of the HF stretch red shift in Arn-HF clusters. E. Curotto

9:05—2. Near real-time measurement of mercury species in ambient air in an urban environment. M. M. Lynam, G. J. Keeler 9:30—3. Short-time-response measure ments of nitrogen dioxide and peroxyacetyl nitrate by fast capillary gas chroma tography with luminol detection. N. A. Marley, J. S. Gaffney, P. J. Drayton 9:55—4. Design considerations and perfor mance characteristics of a small, fast, and versatile GC analyzer. E. B. Overton, K. R. Carney, H. P. D'harmasena, N. Roques 10:20—Intermission. 10:35—5. New generation of on-line oil-inwater monitor. L-M. He, L. L. Kear-Padilla, S. H. Lieberman, J. M. Andrews 11:00—6. Detection of anionic nutrients us ing SERS of cationic-coated silver sub strates. P. A. Mosier-Boss, S. H. Lieber man 11:25—7. Generic strategy for reversible field immunosensors using pulsed electro chemical detection. O. Sadik, S. Myung, A. Wanekaya 11:50—8. Conjugated polymer chemosensory materials: Field detection of transitionmetal ions via fluorescence quenching. W. E. Jones Jr., Y. Zhang, C. B. Murphy, S. Gilje

DIVISION OF ENVIRONMENTAL CHEMISTRY M. L. Trehy, R. A. Hathaway, Program Chairs

SOCIAL EVENTS: Social Hour, Tue, Wed Dinner, Tue

Section A Westin Horton Plaza California A • Field Analytical Chemistry: Techniques, Technologies, and Applications Cosponsored with Division of Analytical Chemistry

L. H. Keith, W. H. Batschelet, D. Crumbling, E. Koglin, Organizers


SUNDAY AFTERNOON Section A Westin Horton Plaza California A • Biogeochemistry of Environmentally Important Elements

Sustainable Chemistry in the New Millennium

1:30—22. Arsenic accumulation in Potomogeton illinoiensis in Montezuma Well, Ariz. A-M. Compton, R. D. Foust Jr., D. Salt 1:50—23. Quantity and speciation of arsenic in soils by chemical extraction. R. H. Loeppert, A. Jain, B. K. Biswas, M. A. ElHaleem 2:10—24. Speciation and distribution of ar senic in an arsenic-hyperaccumulating plant. W. Zhang, Y. Cai, C. Tu, L. Q. Ma 2:30—25. Arsenic(lll) complexation and oxi dation reactions on environmental surfac es. B. A. Manning, S. E. Fendorf, D. L. Suarez 2:50—Intermission. 3:05—26. Chemical and mineral forms of ar senic and uptake by plants in a contami nated area. M. Farago, P. J. Kavanagh 3:25—27. Interactions between selenium and sulfur biogeochemistry in the marine environment leading to biovolatilization pathways. D. Amouroux, E. Tessier, E. Krupp, P. Caumette, O. F. X. Donard 3:45—28. Soil methylation-demethylation pathways for metabolism of plant-derived selenoamino acids. D. A. Martens, D. L. Suarez 4:05—29. Trace element distribution and ar senic speciation in sea scallops. W. R. Cullen, V. W-M. Lai, U. Norum

M. L. Trehy, Organizer G. W. Mushrush, Presiding 8:3fJ—Introductory Remarks. 8:40—9. Carbon dioxide utilization in devel oping innovative synthetic methodologies. M. Aresta, A. Dibenedetto 9:05—10. "Greener" oxidation catalysts based on heterometallic Ru-Pt complexes. P. A. Shapley, H-C. Liang, N. Dopke 9:30—11. Transition-metal-catalyzed hydroboration and hydrosilylation of acety lenes in ionic liquids. M. Vaultier, D. Car rie, S. Aubin, F. Le Floch 9:55—12. Biofuels as a means of improving the environmental quality of petroleum middle distillate fuels. G. W. Mushrush, E. J. Beal, J. M. Hughes, J. H. Wynne, D. R. Hardy 10:20—Intermission. 10:35—13. Application of ozonation for the destruction of heptachlor: Free-radical mechanisms and reaction pathways. Β. Ν. Badriyha, M. Pirbazari, V. Ravindran, V. Tserunyan 11:00—14. Biological denitrification of re verse osmosis brine. I. Ersever, M. Pirba zari, S. Deshmukh 11:25—15. Environmental impact of crumb rubber asphalt concrete leachate contami nants from highway construction and re pair materials on surface- and groundwa ters. M. F. Azizian, P. O. Nelson, P. Thayumanavan, K. J. Williamson 11:50—16. Field test of soil biodegradability of biodegradable plastics in Japan. Y. Tominaga, K. Matsukawa, K. Kitagawa, A. Nakayama

Advances in Remediation of Heavy Metals in the Environment Mercury Contamination

D. A. Atwood, M. L. Trehy, Organizers D. A. Atwood, Presiding 9:00—Introductory Remarks. 9:10—17. Multidentate ligands for mercury remediation from contaminated soils. M. M. Matlock, B. S. Howerton, D. A. Atwood

E. Koglin, Presiding 8:30—Introductory Remarks. 8:40—1. Mobile monitoring for methyl bro mide from an agriculture commodity fumi gation. J. L. Deuble Jr., D. V. Nevitt

Teaching Environmental Chemistry in the New Century cosponsored with Division of Chemical Education (see page 86)

Y. Cai, O. Braids, Organizers Y. Cai, Presiding

Section C

SUNDAY MORNING

Molecular Biology Tools in Environmental Engineering cosponsored with Biotechnology Secretariat (see page 69)

Westin Horton Plaza California Β

Westin Horton Plaza Santa Fe

BUSINESS MEETING: Sun

9:35—18. Phosphate-induced mercury stabi lization. J. Zhang, P. Bishop 10:00—19. Removal of mercury from an out fall stream using a gypsum-amended, con structed wetland planted with Scirpus californicus. J. K. King, S. M. Harmon, J. B. Gladden 10:25—Intermission. 10:35—20. Sulfide-induced mercury stabili zation. H. Piao, P. Bishop 11:00—21. Integral remediation of mining "tailings" for heavy metals lixiviation pre vention. F. R. Helio, S. S. Elvira, S. T. Sara, G. G. Arturo


Section Β Westin Horton Plaza California Β Advances in Remediation of Heavy Metals in the Environment

D. A. Atwood, Presiding 1:30—Introductory Remarks. 1:40—30. Chromated copper arsenate ad sorption on an iron oxide adsorbent. K. Osathaphan, M. F. Azizian, P. O. Nelson 2:00—31. Environmental applications of hops-derived biomaterials for the purpose of toxic metal ion removal from solution. J. L. Gardea-Torresdey, M. Hejazi, K. Tiemann, J. Henning 2:20—32. Aqueous leaching and environ mental implications of heavy metal dimethyldithiocarbamate compounds. E. Wall, K. R. Henke, Μ. Μ. Matlock, D. A. Atwood 2:40—Intermission. 2:50—33. Chemistry of the commercial re mediation agent: Trimercaptotriazine. K. R. Henke, D. A. Atwood 3:10—34. Field, lab, and X-ray absorption studies of mercury absorbed by water hy acinths. J. Andrews, S. G. Riddle, Η. Η. Tran, C. Kitting, J. G. DeWitt 3:30—35. Use of a new multidentate ligand to precipitate heavy metals from acid mine drainage flowing from an abandoned coal mine in Pikeville, Ky. Μ. Μ. Matlock, D. A. Atwood

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3:50—84. Comparison of activated sludge microbial processes in two wastewater treatment plants by microprofile measure ments. B. Li, P. Bishop Molecular Biology Tools in Environmental Engineering cosponsored with Biotechnology Secretariat (see page 69) Teaching Environmental Chemistry in the New Century cosponsored with Division of Chemical Education (see page 86)

MONDAY MORNING Section A

Section C

Westin Horton Plaza California A • Elegant Analytical Chemistry Applied to Environmental Problems: A Practical Symposium

S. D. Richardson, J. Plude, V. Turoski, Organizers V. Turoski, Presiding 8:25—Introductory Remarks. 8:30—36. It's all elementary: Environmental and analytical chemistry intertwined lan guage. J. L. Plude 9:00—37. 19F NMR as a highly specialized tool for the investigation of fluorochemicals of environmental interest. S. A. Mabury, D. A. Ellis 9:30—38. Transformation of TNT in an aero bic compost: Structure and reactivity ef fects in the covalent binding of aromatic amines to organic matter. K. A. Thorn, J. C. Pennington, C. A. Hayes 10:00—39. Chemical derivatization for selec tive detection and identification of alcohols by electrospray mass spectrometry. J. M. E. Quirke, G. J. Van Berkel 10:30—Intermission. 10:50—40. Use of liquid chromatography/ time-of-flight mass spectrometry for analy sis of pesticide residues. L. C. Nicolaysen, A. Sage, A. Newton, J. Pugh, M. Tay lor 11:20—41. Identification of airborne carbonyls by LC-APNCI-MS analysis of their DNPH derivatives. D. Grosjean, E. Grosjean

Section Β Westin Horton Plaza California Β • Biogeochemistry of Environmentally Important Elements

O. Braids, Presiding 8:30—42. Interactions between dissolved or ganic matter and mercury. G. Aiken, M. Reddy, M. Ravichandran, J. Ryan 8:50—43. Binding of methylmercury to humic acids. A. Amirbahman, A. Reid, T. Haines, C. Arnold 9:10—44. Diurnal cycles and inter-lake vari ability of dissolved elemental mercury in lake water. S. Siciliano, N. O'Driscoll, D. Lean 9:30—45. Historical metal loadings in sever al northern lake sediments. V. F. Cheam, D. Muir, G. Sardella, F. Yang, D. Halliwell 9:50—Intermission.

A Catalysis •


•


M Materials ~W Medicinal & Pharmaceutical •


^

Presidential Series

112

10:05—46. Investigation on mercury contam ination pathways using model aquatic eco systems. E. Tessier, R. C. Rodriguez Martin-Doimeadios, D. Amouroux, A. Morin, E. Thybaud, E. Vindimian, O. F. X. Donard 10:25—47. Significance and characteristics of metal contamination in Deep Bay, Hong Kong. X. Li, W. Liu, Y. S. Li 10:45—48. Volatile metal(loid) species asso ciated with waste materials: Chemical and toxicological aspects. A. V. Hirner 11:05—49. Volatilization of tin in the environ ment. O. F. X. Donard, E. Tessier, D. Amouroux

C & E N / M A R C H 5, 2 0 0 1

Westin Horton Plaza Santa Fe • Environmental Trends Cosponsored with ACS Committee on Environmental Improvement

T. L. Wade, Organizer, Presiding 8:30—Introductory Remarks. 8:40—50. Environmental chemistry history from polar ice cores. J. Cole-Dai, E. Mosley-Thompson 9:05—51. Time-trends of the presence and occurrence of polychlorinated dibenzo-pdioxins, polychlorinated dibenzofurans, and coplanar polychlorinated biphenyls in the U.S. environment. D. H. Cleverly 9:30—52. Trace elements in the aquatic en vironment of Hawaii: Effects of urbaniza tion. E. H. De Carlo, V. L. Beltran, M. S. Tomlinson, K. J. Spencer, J. E. Hubert 9:55—53. Long-term trends in ambient peroxyacetyl nitrate in southern California. D. Grosjean 10:20—Intermission. 10:35—54. Long-term temporal trends of POPs in NOAA's Mussel Watch Project compared with trends in other matrices. W. E.Johnson 11:00—55. Trends in persistent contami nants in California biota. M. Petreas, J. She, P. Visita, J. Winkler, M. McKinney, F. R. Brown, J. Dhaliwal, G. Denison, M. Mok 11:25—56. Sustainable development and environmental chemistry. T. L. Wade Molecular Biology Tools in Environmental Engineering cosponsored with Biotechnology Secretariat (see page 69) Process Analytical Chemistry in Support of Green Chemistry cosponsored with Division of Industrial & Engineering Chemistry (see page 123)

MONDAY AFTERNOON Section A Westin Horton Plaza California A • Elegant Analytical Chemistry Applied to Environmental Problems: A Practical Symposium

V. Turoski, Presiding 1:30—57. LC/MS using a bench-top time-offlight mass spectrometer. W. L. Budde, N. Wang, M. Maizels 2:00—58. Analysis of carbamates using LC/ MS. J. Krol, J. Romano, E. Block Sr. 2:30—59. Identification of chlorinated disin fection by-products in drinking water by optimizing electrospray/MS/MS. X. Zhang, R. A. Minear, K. Ikeda, Y. Shimizu, S. Matsui, Y. Guo, C. J. Hwang, S. E. Barrett 3:00—Intermission. 3:15—60. Analysis of trace-level NDMA in drinking water. Y. Guo, C. J. Hwang, R. Chinn, S. E. Barrett 3:45—61. Selective monitoring to assess the bioavailability of organic chemicals in aquatic systems. S. W. Morrall, C. A. Smith, W. M. Begley, D. J. Versteeg, J. W. Rawlings 4:15—62. Analytical tools for improving re mediation technologies. M. A. Tarr, G. Xu Xu, J. Lu 4:45—63. Cataloging nontarget substances in ground- and drinking water downgradient from a New Jersey Superfund site. J. W. Jenks, F. A. Genicola, R. I. Lippincott, A. M. Wowk, B. A. Wilk, R. A. Confer

Section Β Westin Horton Plaza California Β • Biogeochemistry of Environmentally Important Elements

Y. Cai, Presiding 1:30—64. XAFS determination of U-bacterial cell wall interaction at low pH. S. D. Kelly, K. M. Kemner, J. B. Fein, D. A. Fowle, M. I. Boyanov, B. A. Bunker, N. Yee 1:50—65. Adsorption and toxicity of metal contaminants to soil microorganisms. J. Choi, J. Park 2:10—66. Adsorption properties of mixed fer ric and biogenic manganese oxides. Y. M. Nelson, L. W. Lion, W. C. Ghiorse, M. L. Shuler 2:30—67. Characterization of copper complexation with dissolved organic matter. Y. Lu, H. E. Allen 2:50—Intermission. 3:05—68. Chromium(VI) reduction by sulfide under anaerobic conditions: Catalysis of elemental sulfur product. Y. Lan, C. Kim, B. Deng, E. C. Thornton 3:25—69. Kinetics of Mn oxidation by Leptothrix discophora SS1. L. W. Lion, J. Zhang, Y. M. Nelson, M. L. Shuler, W. C. Ghiorse 3:45—70. Reduction of trace elements by mixed Fe(ll)/Fe(lll) hydroxide (green rust). E. J. O'Loughlin, S. D. Kelly, Κ. Μ. Kem ner, M. Boyanov 4:05—71. Trace-metal transport in arid envi ronments. K. Neely, C. Lewers, G. Southam, R. D. Foust Jr.

Section C Westin Horton Plaza Santa Fe • Environmental Trends

T. L. Wade, Presiding 1:30—Introductory Remarks. 1:35—72. U.S. coastal and estuarine surficial sediment trace element and organic con taminant changes. G. G. Lauenstein, T. P. O'Connor 2:00—73. Environmental trends of contami nants from the Mississippi River Delta, Tampa Bay, and Galveston Bay sediment cores. T. L. Wade, P. H. Santschi 2:25—74. Trends in environmental legisla tion: An inside perspective. K. L. Parker 2:50—Intermission. 3:05—75. Trace-metal pollutant loading in wet weather and dry weather urban runoff from a southern California watershed. T. McPherson, S. J. Burian, M. K. Stenstrom, I. H. Suffet 3:30—76. Effects of the fungicides mancozeb and chlorothalonil on fluxes of C0 2 , N 2 0, and CH 4 in a grassland soil. C. A. Kinney, K. W. Mandernack, A. Mosier Process Analytical Chemistry in Support of Green Chemistry cosponsored with Division of Industrial & Engineering Chemistry (see page 123)


M. L. Trehy, Organizer 8:00-10:00 77. Division of Environmental Chemistry in the new millennium. L. LaFleur 78. Developments toward modeling and simulation-based test and evaluation of chemical weapon point detectors. T. J. Evans, J. Dubow, H. Meuzzelaar, N. Ar nold 79. Arsenic carbonate complexes in ground water. J. Lee, J. Nriagu 80. Determination of arsenic species in mi crocosmos experiments. R. Pongratz 81. Adsorption and recovery of heavy metals from wastewater using Chryseomonas luteola MGF-48. J. Faroukhsamani, H. Ghafourian 82. Distributions of trace and heavy metals in the Florida Everglades. M. Georgiadis, X. Zhou, Y. Cai

83. Interactions of mercury species with dis solved organic carbon and sulfur in sur face waters of the Florida Everglades. M. A. Sheils, J. Acevedo, Y. Cai, R. Jaffe, X. Lu, R. D. Jones 85. Lead adsorption and precipitation reac tions on soil mineral surfaces. Q. T. Nguy en, B. A. Manning 86. Toxic effect of triphenyltin chloride on Spirulina subsalsa. G. Huang, Z. Song, G. Liu, W. Zhang 172, 173, 177,186, 187, 192-198, 205-209, 231-234, 238, 239, 244-246, 248-250. See subsequent listings.

TUESDAY MORNING Section A Westin Horton Plaza California A • Elegant Analytical Chemistry Applied to Environmental Problems: A Practical Symposium

S. D. Richardson, Presiding 8:25—Introductory Remarks. 8:30—87. Integrative sampler for sequester ing waterbome polar organic chemicals. J. Petty, D. Alvarez, J. Huckins, B. L. McGee, A. Rastall 9:00—88. New insights into the role of aero sols in affecting pollution and global cli mate change. K. A. Prather, S. A. Guazzotti, D. T. Suess, S. H. Pastor, K. Coffee 9:30—89. Enhanced concentration and anal ysis method for measuring water-soluble endogenous compounds in human breath. J. D. Pleil, M. Colon, A. B. Lindstrom 10:00 —153. Mass spectrometry in viral analysis. G. Siuzdak 10:30—Intermission. 10:50—91. Role of mass spectrometry in a molecular approach to the investigation of the physiological effects of environmental toxins. K. B. Tomer, C. H. Borchers, J. M. Dial, N. J. Walker, J. E. Hartis, B. A. Wetmore, J. C. Barrett, B. A. Merrick 11:20—92. Elegant environmental immuno assays. J. M. Van Emon, W. C. Brumley, A. W. Reed

Section Β Westin Horton Plaza Santa Fe ACS Award for Creative Advances in Environmental Science and Technology: Honoring Michael R. Hoffmann Environmental Chemistry in Multiphasic Systems

R. Hathaway, M. R. Hoffmann, Organizers M. R. Hoffmann, Presiding 8:30—93. Heterogeneous vs. homogeneous redox reaction rates of manganese in wa ter. J. J. Morgan 9:00—94. Air-water exchange of PAHs and PCBs: Is it important in limnic and estua rine systems. S. J. Eisenreich 9:30—95. Award Address (ACS Award for Creative Advances in Environmental Sci ence and Technology, sponsored by Air Products & Chemicals). Fundamentals and applications of semiconductor photocatalysis for air filtration and hazardous vapor control. M. R. Hoffmann 10:15—Intermission. 10:30—96. Desorption limited gas-solid photocatalysis: Conception and consequenc es. D. F. Ollis 11:00—97. Photocatalytic detoxification of polluted aquifers. D. W. Bahnemann 11:30—98. Mechanistic study of the chain photoreduction of CFC 11 in aqueous titania suspensions. G. Mills, K. Winkelmann, R. L. Calhoun 12:00—99. Environmental aspects of mul tiphasic photocatalytic reactions. W. Choi



Section C

Section Β

Westin Horton Plaza California B

Westin Horton Plaza Santa Fe

Innovative Strategies for the Remediation of Chlorinated Solvents and DNAPLs in the Subsurface

ACS Award for Creative Advances in Environmental Science and Technology: Honoring Michael R. Hoffmann Heterogenous Atmospheric Chemistry: Lab and Field Results

C. R. Bennett, S. M. Henry, Organizers

M. R. Hoffmann,

S. M. Henry, Presiding 8:00—Introductory Remarks. 8:15—100. Science of DNAPL and how clean is clean: A retrospective. L. M. Preslo 8:45—101. Nanoscale and microscale iron emulsions for treating DNAPL. C. L. Geiger, C. A. Clausen, D. R. Reinhart, Κ. Β. Brooks 9:15—102. Field demonstration of sur factant-enhanced DNAPL remediation: Case studies. B. J. Shiau, M. A. Hasegawa, J. M. Brammer, M. Goodspeed, T. Carter, J. H. Harwell, D. A. Sabatini, R. C. Knox, J. D. Childs 9:45—103. Density modification of a chlori nated solvent DNAPL by a saltwaterpropanol cosolvent flooding solution. J. L. Myers, C. M. Lee, R. W. Falta Jr. 10:15—Intermission. 10:30—104. Optimum air-to-steam injection ratios to eliminate downward DNAPL mi gration during steam-enhanced extraction operations. K. S. Udell, S. F. Kaslusky 11:00—105. Remediation and closure strate gy for TCE in fractured bedrock. T. V. Ad ams, D. J. Sopcich, T. A. Hunter 106. Withddrawn. • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation cosponsored with Division of Nuclear Chemistry & Technology (see page 144)

Section A

Presiding

1:30—114. Laboratory studies of atmospher ic sulfur oxidation mechanisms. P. H. Wine, J. M. Nicovich, L. Zhu, R. E. Stickel, S. P. Urbanski, M. L. McKee, A. T. Pegus, F. D. Pope 2:00—115. Reaction of the sulfite radical with ferrous ions in bisulfite solutions. G. Poskrebyshev, P. Neta, R. E. Huie 2:30—116. Field, laboratory, and modeling studies of tropospheric particle chemistry. H. Herrmann, B. Ervens, J. Hesper, P. Barzaghi, D. Hofmann, C. Neusuess 3:00—Intermission. 3:15—117. Phase transitions of aqueous at mospheric particles. S. T. Martin 3:45—118. Representing aerosol dynamics and properties in chemical transport mod els by the method of moments. S. E. Schwartz, R. McGraw, C. M. Benkovitz, D. L. Wright 4:15—119. Labile iron in atmospheric aero sol samples collected over the Atlantic Ocean. R. L. Siefert, Y. Chen 4:45—120. Aerosol processing by clouds and fogs. J. L. Collett Jr., K. F. Moore, J. E. Reilly, A. Bator, K. J. Hoag, D. E. Sher man, P. Herckes, T. Lee, M. P. Hannigan, H. Chang, L. Trenary 5:15—121. Issues for considering surface exchange and chemical reactions concur rently to understand chemical dynamics in the atmospheric boundary layer. J. W. Munger

Section C

TUESDAY AFTERNOON Section A Westin Horton Plaza California A • Elegant Analytical Chemistry Applied to Environmental Problems: A Practical Symposium

S. D. Richardson, Presiding 1:30—107. Rapid, nondestructive selection of high-aflatoxin peanuts by tandem mass spectrometry. W. F. Haddon, T. F. Schatzki 2:00—108. Mass spectrometry in environ mental toxicology. M. G. Bartlett 2:30—109. Analytical techniques for measur ing internal dose levels of volatile organic compounds. D. L. Ashley 3:00—Intermission. 3:15—110. Phototoxicity of polycyclic aro matic hydrocarbons. D. Betowski, M. Enlow, L. Riddick 3:45—129. Coupling liquid chromatography to mass spectrometry, IR spectroscopy, and nuclear magnetic resonance for the identification of reaction products from α-pinene ozonloysis. W. Schroder, J. Geiger, T. Hoffmann, B. Warscheid, U. Marggraf 4:15—112. Direct sampling ion trap mass spectrometry: A simple approach to quali ty field analysis. C. V. Thompson, M. B. Wise 4:45—113. Advances in trace analysis of water-soluble organics in air. R. S. Spaulding, R. W. Talbot, M. J. Charles

Section C

WEDNESDAY MORNING

Westin Horton Plaza California Β Innovative Strategies for the Remediation of Chlorinated Solvents and DNAPLs in the Subsurface

S. M. Henry, Presiding 1:30—Introductory Remarks. 1:45—122. Ozone-peroxide advanced oxida tion water treatment system for treatment of chlorinated solvents and 1,4-dioxane. R. H. Bowman 2:15—123. Electrochemical remediation tech nologies for soil, sediment, and groundwa ter remediation. J. L. lovenitti, N. Doering, R. I. Satre, W. A. Mcllvride, D. G. Hill 2:45—124. Comparison of enhanced in situ bioremediation of TCE vs. natural attenua tion. L. T. LaPat-Polasko, B. S. Aiken 3:15—Intermission. 3:30—125. Cometabolic air sparging field demonstration with propane. L. Semprini, M. E. Dolan, M. F. Azizian, A. Tovanabootr, V. Magar, A. Leeson 4:00—126. Enhanced bioremediation for treatment of chlorinated solvent residual source areas. K. Sorenson, R. Ely 4:30—127. Results from forty-two field appli cations of hydrogen release compound for accelerated bioattenuation. S. S. Koenigsberg

Westin Horton Plaza California A • Elegant Analytical Chemistry Applied to Environmental Problems: A Practical Symposium

Westin Horton Plaza California Β Innovative Strategies for the Remediation of Chlorinated Solvents and DNAPLs in the Subsurface Permeable Reactive Barriers

J. Plude, Presiding

S. M. Henry, Presiding

8:25—Introductory Remarks. 8:30—128. Analytical chemistry and chemi cal kinetics: A chemical model for electrolyzed salt brine disinfection solutions. G. Gordon 9:00—111. Miniature mass spectrometers with membrane interfaces for on site. R. G. Cooks, L. S. Riter, K. J. Koch, L. Charles, E. Badman, Z. Takats 9:30—130. High-resolution Fourier-transform ion cyclotron resonance mass spectrome try for the analysis of complex humic and fulvic acids. M. A. Freitas, E. Kujawinski, X. Zang, P. G. Hatcher 10:00—131. Evaluation of several different mass analyzers for detecting hazardous gases in support of U.S. space shuttle launches. T. P. Griffin, A. K. Ottens, J. A. Diaz, P. T. Palmer 10:30—Intermission. 10:50—132. Use of GC-MS/combustion/ I RMS to identify and determine the stable carbon isotopic ratio of individual lipids. R. A. Burke 11:20—133. Integrated use of computational chemistry, scanning probe microscopy, and virtual reality to predict the chemical reactivity of environmental surfaces. G. W. Bailey, P. Sawunyama

8:00—Introductory Remarks. 8:15—142. Ten years of permeable reactive barriers: Lessons learned and future ex pectations. S. D. Warner, D. Sorel 8:40—143. In situ fluidization for reactive barrier installation and maintenance. R. K. Niven 9:05—144. Installation of permeable reactive barriers using pneumatic fracturing. D. L. Schnell 9:30—145. Biopolymer construction tech niques for installation of permeable reac tion barriers containing granular iron for groundwater remediation. R. M. Focht, J. L. Vogan, T. A. Krug 9:55—Intermission. 10:10—146. Experimental test of a newly de signed permanganate reactive barrier sys tem for chlorinated solvents remediation. X. D. Li, F. W. Schwartz 10:35—147. Reductive dechlorination of tetrachloroethylene using zero-valent iron with surfactants. H-H. Cho, J-W. Park 11:00—148. Preparation and regeneration of nickel-iron for reduction of organic con taminants. L. Gui, R. W. Gillham 11:25—149. Reductive dechlorination of chloromethanes using tungsten and mo lybdenum hydrogen bronzes or sodium hypophosphite. A. Apblett, B. P. Kiran, K. Oden

Section Β Westin Horton Plaza Santa Fe ACS Award for Creative Advances in Environmental Science and Technology: Honoring Michael R. Hoffmann Chemical Transformations and Phase Transfer

• Separations in Environmental Analysis cosponsored with Division of Industrial & Engineering Chemistry (see page 125) • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation cosponsored with Division of Nuclear Chemistry & Technology (see page 144)

M. R. Hoffmann, Presiding 8:00—134. Kinetics of surfactant degradation by sonolysis. L. K. Weavers, M. G. Y. Pee, J. F. Rathman 8:30—135. Environmental photochemistry of decarbomodiphenyl ether and related compounds. I. Hua, C. Jafvert 9:00—136. Conditions during cavitation. K. S. Suslick, W. B. McNamara III, Y. Didenko 9:30—137. Microporous oxides as electro lytes in proton-exchange membrane fuel cells. M. A. Anderson, M. I. Tejedor 10:00—Intermission. 10:15—138. Redox transformation and bio availability of mercury. F. M. M. Morel 10:45—139. Degradation of methylmercury by OH radicals in natural waters. S. O. Pehkonen, C. Jing 11:15—140. Concentrations and spatial vari ations of polybrominated diphenyl ethers in fish and air from the northeastern Unit ed States. R. A. Hites, N. G. Dodder, B. Strandberg 11:45—141. Partitioning of anthropogenic and natural lead in soils. Y. Erel, S. Em manuel, N. Teutsch, L. Halicz, A. Veron

• Separations in Environmental Analysis cosponsored with Division of Industrial & Engineering Chemistry (see page 125) • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation cosponsored with Division of Nuclear Chemistry & Technology (see page 144)

WEDNESDAY AFTERNOON Section A Westin Horton Plaza California A Φ Elegant Analytical Chemistry Applied to Environmental Problems: A Practical Symposium

J. Plude, Presiding 1:30—150. Screening assays for DNA dam age. K. R. Rogers, K. Ramanathan, A. Apostol 2:00—151. Capillary electrophoresis for enantiomer separation and measurement of enantioselectivity of chiral pollutants in the environment. A. W. Garrison 2:30—152. New method for monitoring toxic ity using stock cultures or indigenous biomass. D. Kroll 3:00—Intermission. 3:15 —90. Characterization of the herbal product goldenseal {Hydrastis canadensis L): A practical approach. H. A. Weber, M. K. Zart, K. D. White, R. K. Harris, A. P. Clark, J. G. Greaves, D. Overstreet, C. Smith 3:45—154. Ion composition elucidation: A high-resolution mass spectrometric tech nique for characterization and identifica tion of organic compounds. A. H. Grange, G. W. Sovocool 4:15—155. Application of molecular fluores cence spectroscopy for the elucidation of diet composition for free-ranging herbi vores. G. D. Rayson, T. L. Danielson, D. M. Anderson, R. Estell, E. L. Fredrickson, Κ. Μ. Havstad 4:45—156. Chloramine analysis by size ex clusion HPLC. S. A. Andrews, E. C. Mof fat



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Section Β Westin Horton Plaza Santa Fe ACS Award for Creative Advances in Environmental Science and Technology: Honoring Michael R. Hoffmann Multiphasic Chemical and Biochemical Reactions

R. Hathaway, M. R. Hoffmann, Organizers 1:30—157. Autoxidation of N(lll), S(IV), and other species in frozen solution: A possi ble pathway for enhanced chemical trans formation in freezing systems. E. A. Betterton, D. J. Anderson 2:00—158. Adsorption of free chelating agents and their metal ion complexes at the mineral/water interface: Distinctive probe molecules for exploring surface chemistry. A. T. Stone, R. F. Carbonaro, Y. Wang, C. F. Whitehead 2:30—159. In vitro measurement of chemical toxicity in complex mixtures. R. G. Arnold, K. D. Turney, M. J. Scholz 3:00—Intermission. 3:15—160. Metal-reduction-specific genes of Shewanella putrefaciens: New insights into the molecular mechanism of bacterial metal reduction. T. J. DiChristina 3:45—161. Distribution of volatile organic compounds in unsaturated soil systems: Interfacial and condensation phenome non. M. H. Conklin 4:15—162. Ozonated bipolar solvent system for degradation of polycyclic aromatic hy drocarbons. P. K. A. Hong, J-C. Chao, D. A. Wavrek 4:45—163. ATR-FTIR investigation of ad sorption and photodegradation reactions on titanium dioxide and iron oxide surfac es. J. M. Kesselman-Truttmann, S. J. Hug, F. P. Rotzinger, M. Gràtzel

Section C Westin Horton Plaza California Β Innovative Strategies for the Remediation of Chlorinated Solvents and DNAPLs in the Subsurface Permeable Reactive Barriers S. M. Henry,

Presiding

1:30—Introductory Remarks. 1:35—164. Electrochemical investigation of chromate and arsenate removal from wa ter using zero-valent iron media. N. Melitas, M. Conklin, J. Farrell 2:00—165. Trichloroethylene reduction on metallic iron: Probing reactive vs. nonreactive sites with cysteine. B. Deng, S. Hu 2:25—166. Rate-limiting mechanisms for carbon tetrachloride and trichloroethylene reactions at iron surfaces. T. Li, J. Farrell 2:50—167. Analysis of corrosion compounds associated with PRBs and their impact on barrier longevity. Β. Μ. Sass 3:15—Intermission. 3:30—168. Using ultrasound for restoring iron activity in permeable treatment walls. C. L Geiger, C. A. Clausen, D. R. Reinhart, A. S. Sonawane 3:55—169. In situ microbial investigation of an Fe(0)-reactive barrier. B. Gu, L. Liang, J. Zhou, D. Phillips

A Catalysis • Chemistry & Computers • Environmental Issues M Materials ~W Medicinal & Pharmaceutical • Petroleum, Fuels & Related Chemistry & Presidential Series

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2001

4:20—170. Dissolved hydrogen measure ments at a permeable zero-valent ironreactive barrier. D. Sorel, S. D. Warner, B. L. Longino, J. H. Honnibal, L. A. Hamilton 4:45—171. Long-term performance monitor ing of permeable reactive barriers. T. M. Sivavec · • Environmental Challenges for Fossil Fuel Combustion cosponsored with Division of Fuel Chemistry (see page 117) • Separations in Environmental Analysis cosponsored with Division of Industrial & Engineering Chemistry (see page 126) • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation cosponsored with Division of Nuclear Chemistry & Technology (see page 144) W E D N E S D A Y EVENING Convention Center Sails Pavilion General Papers

M. L. Trehy, Organizer 5:00-7:00 Drinking Water 172. Endocrine-disrupting phenols and estro gens in surface and drinking water. Η. Μ. Kuch, K. Ballschmiter 173. Formation of /V-nitrosodimethylamine in chloraminated water: A new disinfection by-product. J. Choi, R. L. Valentine 174. Chemical models of chloroform and dichloroacetic acid production from the use of chlorine and chloramine as a residual disinfectant. E. R. Moore, B. D. White, J. C. DiCesare, G. H. Purser 175. Determination of trihalomethanes in wa ter by purge-and-trap gas chromatography with mass spectrometry and electron cap ture detection. L. Zhang, X. Qian, G. Yang 176. Fast gas chromatography methods for small-volume analysis of haloacetic acids. F. Wu, W. Gabryelski, M. Ongley, K. L. Froese Atmospheric Chemistry and Air Quality 177. Mechanism and kinetics of the reactions of OH radical with dimethyl ether and methyl f-butyl ether. C. Selçuki, F. Atadinç, V. Aviyente 178. Environmental evaluation of some building materials with photocatalytic activity. Y. Li, Y. Lin, K. Zhu 179. Aerosol-particle-bound emission of hydrophobic organic compounds from a wastewater treatment plant. M. Radke, R. Herrmann 180. Alkyl dinitrates in urban air and their analysis by (CH4) NCI mass spectrometry. T. L. Schoop, K. Ballschmiter 181. Application of natural radionuclides for determination of tropospheric ozone and aerosol transport. J. S. Gaffney, N. A. Marley, P. J. Drayton, K. A. Orlandini 182. Carbonyl alkyl nitrates, a group of multifunctional organic nitrates, as trace constituents in urban air. S. Woidich, K. Ballschmiter 183. Oscillator strengths for Rydberg transitions in formaldehyde. C. Lavin, E. Olalla, A. M. Velasco, I. Martin 184. Spectral density for Rydberg transitions in atmospherically important nitrous oxide. I. Martin, A. M. Velasco, E. Bustos, C. Lavin 185. Kinetic analysis of VOC emissions thermally generated from polymers at processing temperature. Q. Xiang, S. Mitra, M. Xanthos, S. K. Dey—Modeling 186. Generalized human physiologically based pharmacokinetic model for multiple chemical species based on fugacity. T. M. Cahill, D. Mackay 187. Minimum cross-sectional diameter: When molecules cannot fit through a membrane. G. G. Cash, J. V. Nabholz 188. Experimental investigation and modeling of removal of ionic species from Fe(0) media. L. Liang, A. Sullivan, L. West 189. Molecular modeling of humic substances: Binding of hydrophobic organic compounds to Chelsea humic acid. M. Diallo, W. Huang, W. A. Goddard III, J. H. Johnson Jr., W. J. Weber Jr. 190. Investigation of structures of natural organic matter fractions by fluorescence spectroscopy. J. Chen, E. J. LeBoeuf, S. Dai, B. Gu

191. Use of computational chemistry to predict reduction potentials of polychlorinated biphenyls. L Totten, X. Liu, D. J. Braun, N. Assaf-Anid Monitoring 192. Determination of organochlorine POPs in Pacific halibut and cod liver with SPE, NP-HPLC, and HRGC-ECD/MSD. M. W. Arend, W. M. Jarman, K. Ballschmiter 193. Developing TMDLs for organochlorine pesticides and PCBs. G. F. Lee, A. JonesLee 194. Discovering unrecognized lead-smelting sites by historical methods. W. P. Eckel, G. D. Foster, M. B. Rabinowitz 195. Does kepone really exist? K. Wang, T. Weida, T. E. Goodwin, R. Perkins, D. M. Sheehan, C. M. Compadre 196. Occurrence of dieldrin in agricultural soil samples, Warmbaths, South Africa. A. Vogei 197. Persistence of dieldrin and endrin in the Apies River, South Africa. A. Vogel 198. Réévaluation of the employment of Fick's First Law with diffusion dosimeters. J. H. Cross, T. H. Stock 199. Withdrawn. 200. Does the definition of POPs have to be expanded? Global occurrence of natural POPs? R. Hackenberg, R. Looser, R. Niessner, W. M. Jarman, K. Ballschmiter 201. Examining white oaks and chestnut oaks for wine-barrel making. S. Matta 202. Survey of metal ions in biological samples, as related to exposure in metropolitan Karachi. S. Kazi, S. S. Ali, T. G. Kazi 203. Trace heavy metals in sediments of the Saw Mill River in Westchester County, N.Y. A. U. Nwankwoala, P. Varughese, A. Ikem, N. O. Egiebor 204. Mercury exchange between an intracoastal waterway and an oceanic inlet. Y. Vaeli, J. D. Dorminy, R. E. Benz 205. Results of the interlaboratory validation study of EPA Method 1638: Trace elements in ambient waters by inductively coupled plasma/mass spectrometry. M. Gomez-Taylor, W. Telliard, L. Riddick, J. Schofield New Analytical Methodology and Instrumentation 206. Arsenic speciation with different sample introduction systems by high-performance liquid chromatography/inductively coupled plasma sectorfield mass spectrometry. R. Pongratz 207. Direct quantification of anionic, amphoteric, and nonionic surfactants in an alternative graywater treatment system using LC/ion trap mass spectrometry. L. H. Levine, J. E. Judkins, N. C. Yorio, J. L. Adams, M. E. Hummerick, J. L. Garland 208. Ion chromatographic analyses of naturally occurring anions in root crops. R. W. Benz, G. J. Andrew, A. J. Beyersdorf, D. T. Capraro, C. F. Gonzalez, D. E. Wellman, J. M. Williams 209. Quantification of Nitrospira spp. in mixed liquor using competitive and realtime PCR. H. M. Dionisi, G. Harms, I. R. Gregory, A. C. Layton, K. G. Robinson, G. S. Sayler 210. Chiral separation of the acetanilide herbicide metabolites by CZE and HPLC. D. S. Aga, K. A. Hamersky, A. C. Moser, R. Hany, S. R. Mueller 211. Identification of six technical mixtures of brominated flame retardants: Bromcal 54-4 BA, 64-3 AE, 73-6 CD, 79-8 DE, 86-6 Β, and 81-5 T. S. Huber, K. Ballschmiter 212. Screening-level determination of chlori nated biphenyls in seawater matrices us ing enzyme-linked immunosorbent assay techniques. C. R. In, J. M. Guerrero, Κ. Μ. Lane, R. D. George 213. Level of quantification for measuring HCB and PCDD/PCDF in soil. C. H. Chiu, G. Poole, M. Tardif, R. Turle, R. Morcos 214. Environmental analysis of copper ions with a carbon paste electrode modified with alfalfa biomass. K. Tiemann, G. Gamez, J. Parsons, L. Bess-Oberto, V. Armindariz, J. Mahmoud, J. Gardea-Torresdey 215. Use of GFAAS and ICP to determine trace- and high-level Pt(ll) and Pt(IV) ad sorption by alfalfa biomass from environ mental solutions. J. Parsons, K. Tiemann, J. H. Gonzalez, J. L. Gardea-Torresdey

216. Simple sample cleanup procedure and high-performance liquid chromatographic method for the analysis of cyanuric acid in human urine. R. Cantu, O. Evans, T. D. Behymer, J. A. Shoemaker, F. K. Kawahara, A. P. Dufour 217. Method for identification and quantifica tion of octylphenol and octylphenol ethoxylates in fish tissue. C. P. Rice, J. E. Rheinstein, J. E. Loyo-Rosales, B. J. Hoffman, S. Datta 218. Laser-induced grating spectroscopy for sensitive solid-phase optical sensors. A. Atherton, J. A. Schafer, W. G. Tong 219. Diode laser-based nonlinear laser wave-mixing probes for environmental ap plications. R. D. Briggs, H. R. Kemp, W. G. Tong 220. Subnanomolar detection limits of acid labile sulfides by the classical methylene blue method coupled to HPLC. S. E. Mylon, G. Benoit Remediation 221. Withdrawn. 222. Withdrawn.223. Screening of low-cost adsorbents for lead removal. T. M. Abdel-Fattah, K. B. Payne 224. Analytical speciation methods for dis solved inorganic and organic arsenic spe cies. A. J. Bednar, J. F. Ranville, T. R. Wildeman, J. R. Garbarino, P. J. Lamothe, K. S. Smith, B. R. McCleskey, J. W. Ball, D. K. Nordstrom 225. Remediation approaches using photooxidation of inorganic and organic ar senic species. A. J. Bednar, J. F. Ran ville, T. R. Wildeman, J. R. Garbarino, P. J. Lamothe, K. S. Smith 226. Quantitative analysis of elemental sulfur from sulfide mineral surfaces as an aid in laboratory studies of acid mine drainage. M. M. McGuire, R. J. Hamers 227. Phytoremediation: Involving the plants Solidago rugosa and Spirea latifolia in en vironmental chemistry. E. K. Stair, M. McNicol 228. Control of land oil spillage using modi fied agricultural waste products. E. A. Dike 229. Controlled leaching studies of chlorinat ed biphenyls from solid matrices into seawater. C. R. In, K. M. Lane, J. M. Guerre ro, R. D. George 230. Effect of voltage on electrochemical degradation of trichoroethylene. S. R. AlAbed, J-L. Chen, V. R. Kukainis, S. Liang, Κ. Μ. Koran 231. Decomposition of MTBE in aqueous media by ultrasound irradiation: Reaction mechanisms and the influence of saturat ing gas. D. K. Kim, K. E. O'Shea, W. J. Cooper, W. Torres 232. Degradation of chlorinated triazines via metallic iron under acidic conditions. T. Dombek, D. Klarup 233. Metal-ion catalytic sites in a series of polyamidoamine dendrimers: Activity to ward phosphate esters and hydrogen per oxide. L. Margerum, D. Wang, H. Tran, X. Yu 234. Improving Fenton-based degradation with cyclodextrins. M. A. Tarr, G. Xu Xu, J. Lu 235. Recent studies using crystalline silicotitanate for removing radiocesium from Sa vannah River high-level waste. W. R. Wilmarth, J. T. Mills, V. H. Dukes, F. F. Fondeur, D. D. Walker 236. Photocatalytic degradation of tannery effluent. S. G. Schrank, R. F. P. M. Moreira, H. J. José 237. Organoclay as a dual sorbent for organic contaminant and heavy metal. J-J. Lee, J-W. Park 238. Laboratory studies of in situ redox manipulation for remediation of PCE-, TCE-, and Cr(VI)-contaminated groundwater in Atlantic Coastal Plain sediments. M. M. K. Uddin, G. L. Mills, J. C. Seaman, V. A. Nzengung



Fate and Transport 239. Determination of metolachlor volatile flux from soil using solid-phase microex traction. L L. McConnell, H. Kim, C. Nochetto, J. Prueger 240. Effect of dissolved organic matter and cationic surfactant on the distribution of PAH. J-W. Moon, J-W. Park 241. Bioavailable organochlorine pesticides in water and sediments in a semiarid re gion of eastern Oregon. K. A. Anderson, E. Johnson 242. Transformations of sulfur, nitrogen, and oxygen heterocycles by three marine bac terial consortia. J. D. Meade, J. Hellou, T. Patel 243. Sorption of chlorpyrifos to California soils and implications for organic matter binding. A. L. Sayers-Fay, L. Schultz, O. Tuli 244. Phototransformation of Irgarol 1051, a new antifouling agent, under natural envi ronmental conditions. M. D. Plasencia, P. R. Gardinali 245. NMR study of bicarbonate ions on min eral surfaces: Hydroxide model systems. H. Noma, R. J. Kirkpatrick, X. Hou 246. Reductive dechlorination of polychlorinated biphenyls in Twelve Mile Creek/ Lake Hartwell watershed. U. Pakdeesusuk, C. M. Lee, J. T. Coates, D. L. Freedman Sustainable Chemistry/Green Chemistry 247. Synthesis of cements from rice hull ash. F. A. Rodrigues 248. Cements obtained from rice hull: Hydra tion behavior. F. A. Rodrigues 249. Citric acid-modified soybean hulls: Pro cess optimization and estimated cost of production. W. E. Marshall, A. Z. Chatters, L. H. Wartelle, A. J. McAloon 250. Evaluation of possibility of using home waste as organic fertilizer. S. T. Kholikulov

9:00—259. Kinetics studies of C 4 -C 6 hydro carbons with OH radicals. E. W. Wilson Jr., W. B. DeMore, B. L. Evans III, N. W. Scott 9:25—260. Gas-phase reactions of cyclohexanol with the hydroxyl radical. M. V. Hen ley, W. R. Bradley, S. E. Wyatt, G. M. Graziano, J. R. Wells 9:50—Intermission. 10:10—261. Atmospheric chemistry of se lected branched and cyclic alkanes. R. At kinson, J. Arey, S. M. Aschmann 10:35—262. Photodissociation of HN0 4 in the near-IR. C. M. Roehl, H. Zhang, G. A. Blake, P. O. Wennberg 11:00—263. Alkyl nitrates, alkyl dinitrates, and hydroxy alkyl nitrates as constituents in pristine air and in European and U.S. photo-smog. K. Ballschmiter, J. Kastler, W. M. Jarman 11:25—264. Theoretical prediction of EPR coupling constants for the determination of the selectivity in the OH addition to tolu ene. V. H. Uc, I. Garcia-Cruz, A. Grand, A. Vivier-Bunge

10:25—4. Catalytic fuel processing for fuel cell applications: Challenges and opportu nities. C. Song 10:50—Intermission. 11:05—5. Hydrogen evolution through cou pling of hydrogenase with oxidative pen tose phosphate cycle enzymes: Mesophilic vs. thermophilic. N. I. Heyer, H. M. O'Neill, J. Woodward 11:30—46. Hydrogen production by nonoxidative catalytic decomposition of methane. D. Panjala, N. Shan, G. P. Huffman 11:55—6. Electrochemical evaluation of intermetallic hydrogen storage alloys sur face modified by sol-gel method. A. C. D. Angelo, R. Bocutti

· • Environmental Challenges for Fossil Fuel Combustion cosponsored with Division of Fuel Chemistry (see page 117)

SUNDAY AFTERNOON

• New Science and Technology for Nuclear Waste Disposal and Environmental Remediation cosponsored with Division of Nuclear Chemistry & Technology (see page 145)

Section C Westin Horton Plaza California Β RTDF Permeable Reactive Barriers

S. M. Henry, Organizer, Presiding

FUEL

8:30—Introductory Remarks. 8:45—265. RTDF permeable reactive barri ers. S. M. Henry 9:45—Panel Discussion. · • Environmental Challenges for Fossil Fuel Combustion cosponsored with Division of Fuel Chemistry (see page 117) • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation cosponsored with Division of Nuclear Chemistry & Technology (see page 145)

THURSDAY MORNING

THURSDAY AFTERNOON

Section A Westin Horton Plaza California A

Section A Westin Horton Plaza California A

• Elegant Analytical Chemistry Applied to Environmental Problems: A Practical Symposium

• Elegant Analytical Chemistry Applied to Environmental Problems: A Practical Symposium

V. Turoski, Presiding

S. D. Richardson, Presiding

8:25—Introductory Remarks. 8:30—251. Analyte-selective, tailored mem branes for membrane introduction mass spectrometry. T. M. Allen, A. J. Griggs, R. B. Timmons, C. W. Wilkerson Jr. 9:00—252. Structural characterization of dis solved organic matter using TMAH thermochemolysis GC-MS. P. G. Hatcher, S. W. Frazier, P. S. Broughton 9:30—253. Highly multiplexed bioassays us ing nanobarcodes. M. J. Natan 10:00—254. Use of metal- and fluoresceintagged materials to study settled particles exposure pathways. S. L. Harper, J. T. Antley, J. J. Giglio, R. W. Vanderpool 10:30—Intermission. 10:50—255. Capture and determination of mercury species from coal combustion emissions using iodine-based impingers and direct injection nebulization/inductively coupled plasma mass spectrom etry analysis. E. Hedrick, P. Biswas 11:20—256. Protocol for the determination of selected neutral and acidic semivolatile or ganic contaminants in fish tissue. M. M. Knight, R. Y. Araki, G. H. Dodo, S. Reimer 11:50—257. New tailor-made derivatizing agent for identifying polar carbonyl DBPS in drinking water. S. D. Richardson, U. Karst

1:30—266. Rapid trace analysis of haloacetic acids at sub-ppb levels using SPMEGC-MS and ESI-FAIMS-MS. K. L. Froese, B. Ells, F. Wu, W. Gabryelski, M. Ongley, D. Barnett, R. Purves, R. Guevremont 1:50—267. Searching for anthraquinone pulping catalysts in trees. D. R. Dimmel, P. Izsak-Sklar 2:10—268. Perfluorinated chloroformâtes: New aqueous-phase derivatizing agents for the detection of highly polar byproducts from advanced oxidation treatments of natural and polluted water. M. Vincenti, N. Ghiglione, V. Maurino, C. Minero 2:30—Intermission. 2:45—269. IR MALDI for rapid screening of environmental analytes. K. K. Murray, S. N. Jackson 3:05—270. Methods for the analysis of alkylphenol ethoxylates and derivatives. M. Medina-Vera, L H. Wright, M. S. Lumpkin 3:25—271. Design of a comprehensive isolation and characterization scheme for organic matter in water. J. A. Leenheer 3:45—272. Nonconventional approaches to analysis of adsorbents used for drinkingwater treatment. Κ. Τ. Alben

Section Β

Section Β Westin Horton Plaza Santa Fe

Westin Horton Plaza California Β

Tropospheric Chemistry

Tropospheric Chemistry

J. M. Andino, Organizer, Presiding

J. M. Andino, Presiding

8:30—Introductory Remarks. 8:35—258. Kinetics and mechanism of the reaction of CI atoms with naphthalene. S. Hewitt, C. Quant, B. Nguyen, C. Frez, M. Luu, D. Robichaud

1:30—273. Chemistry of aerosol formation from reactions of cyclic alkenes and ozone. P. J. Ziemann, H. J. Tobias, K. S. Docherty

I HTTP://PUBS. ACS.ORG/CEN

1:55—274. Chemistry of cirrus cloud forma tion. H-M. Hung, J-H. Han, J. H. Chelf, S. T. Martin 2:20—275. Heterogeneous tropospheric chemistry on mineral dust particles. M. C. Foster 2:45—Intermission. 3:00—276. Heterogeneous interactions of oxygenated hydrocarbons with laboratory surrogates for tropospheric sulfate. R. R. Michelsen, J. L. Duncan, J. T. Roberts 3:25—277. Kinetic studies of the OH-initiated reactions of selected alcohols in the pres ence of fine aerosols: Effects of aerosol composition. S. Oh, J. M. Andino 3:50—Concluding Remarks.

DIVISION OF FUEL CHEMISTRY S. V. Pisupati, Program Chair

OTHER SYMPOSIA OF INTEREST: Chemical Reactivity of Aromatic and Sulfur-Containing Aromatic Hydrocarbons in Natural Systems (see Division of Geochemistry, Sun, Mon, Tue, page 117) Emission Control through Catalysis (see Catalysis & Surface Science Secretariat, Sun, Mon, page 70) Advances in Remediation of Heavy Metals in the Environment (see Division of Environmental Chemistry, Sun, page 111) Membrane Technology in Petroleum, Petrochemical, and Gas Processing (see Division of Petroleum Chemistry, Thu, page 155) SOCIAL EVENTS: Social Hour, Tue Fuel Chemistry and Petroleum Chemistry Divisions Joint Dinner, Tue BUSINESS MEETING: Tue

SUNDAY MORNING U.S. Grant Grand Ballroom A Energy for the 21st Century: Hydrogen

R. Khan, S. Amendola, Organizers, Presiding 9:00—Introductory Remarks. 9:10—1. Hydrogen manufacturing using lowcurrent, nonthermal plasma-boosted fuel converters. L. Bromberg, D. R. Cohn, A. Rabinovich, N. Alexeev 9:35—2. Energy for the 21st century: Hydro gen energy. R. Khan 10:00—3. Catalyst development for hydro gen production from the reforming of liquid hydrocarbons. C. R. Manns, C. E. Taylor


U.S. Grant Grand Ballroom A Energy for the 21st Century: Hydrogen

R. Khan, S. Amendola, Presiding 1:30—Introductory Remarks. 1:35—7. Novel, inexpensive synthesis of so dium borohydride using heavy oil resi dues. S. Amendola, M. T. Kelly, M. Bind er, R. Khan 2:00—8. Hydrogen synthesis by the solarthermal dissociation of methane. J. Dahl, A. W. Weimer, A. Lewandowski, R. Pitts, C. Bingham, G. Glatzmaier 2:25—9. Mechanosynthesis of hydrogen storage alloys. G. Liang, J. Huot, R. Schulz 2:50—10. Thermocatalytic production of hy drogen via pyrolysis of hydrocarbon fuels: From methane to residual oil. N. Z. Muradov 3:15—11. Nonpyrophoric water-gas shift cat alysts for hydrogen generation in fuel cell applications. W. Ruettinger, J. Lampert, O. Korotkikh, R. J. Farrauto 3:40—Intermission. 3:55—12. Structural study of catalysts for se lective catalytic oxidation of CO in H 2 stream. X. Liu, O. Korotkikh, R. J. Far rauto 4:20—13. Energetic state of crystals with f.c.c. lattice of A1 structure with interstitial impurity. Z. Matysina, S. Zaginaichenko, D. Schur, V. Kochur, I. Pilypiv, A. Y. Vlasenko 4:45—14. Theoretical study of hydrogen sol ubility in alloys of D2d structure. Z. Matysi na, S. Zaginaichenko, D. Schur, O. Karpets, V. Kochur, V. Pishuk, A. Pomytkin 5:10—15. Hydrogen storage in carbon nanostructures. B. Tarasov, V. Fokin, Y. Shulga, D. Schur, M. Pariychuk, I. Pylypiv, V. Yartys

MONDAY MORNING Section A U.S. Grant Grand Ballroom Β Greenhouse Gas Control and Utilization Carbon Sequestration and Management

C. Song, M. Aresta, K-W. Lee, Organizers, Presiding 8:30—Introductory Remarks. 8:40—16. Potential role of carbon sequestra tion in a national carbon management strategy. D. J. Beecy 9:25—17. Sequestration of carbon dioxide by ocean fertilization. M. Markels Jr., R. T. Barber 9:45—18. Hydrate formation from singlephase aqueous solutions. G. D. Holder, L. P. Mokka, R. P. Warzinski 10:05—19. Carbon dioxide absorption into emulsion with aqueous amine liquid drop lets. S-W. Park, D. W. Park, l-J. Sohn 10:25—Intermission. 10:40—20. Using carbon capture and se questration technologies to address cli mate change concerns. H. J. Herzog 11:25—21. Polyelectrolyte complex cages for a novel biomimetic C 0 2 sequestration system. F. A. Simsek-Ege, G. M. Bond, J. Stringer 11:45—22. Clean fuels from biomass. K-W. Lee, K-W. Jun, S-B. Kim 12:05—23. Study on the solubility of carbon dioxide in aqueous solution of 2-amino-2methyl-1-propanol and piperazine. O. Kwang-Joong, K. Dong-Uk, S. ByungHyun, L. Jae-Jeong C & E N / M A R C H 5, 2 0 0 1

115

FUEL/GEOC/TECHNICAL PROGRAM

Section Β U.S. Grant Grand Ballroom A

5:10—38. Catalytic N 2 0 decomposition in a model tail-gas from nitric acid plants. X. Xu, J. Pérez-Ramirez, G. Mul, A. R. Vaccaro, F. Kapteijn, J. A. Moulijn

Nitrogen Chemistry in Coal Utilization

M. A. Wojtowicz, Y. Ohtsuka, P. F. Nelson, Organizers, Presiding 8:30—Introductory Remarks. 8:40—24. Change of nitrogen functionality of 15 N-enriched condensation products dur ing pyrolysis. H. Kawashima, Z. Wu, Y. Sugimoto 9:05—25. Ammonia and hydrogen cyanide release during coal pyrolysis at low heat ing rates. M. A. Wojtowicz, R. Bassilakis, M. A. Serio 9:30—26. Nitrogen transformations during secondary coal pyrolysis. H. Zhang, T. H. Fletcher 9:55 —29. Catalytic role of calcium in the re lease of volatile nitrogen during coal pyrol ysis. Y. Ohtsuka, N. Tsubouchi, C. Xu 10:20—Intermission. 10:35—28. Behavior of nitrogen during rapid hydropyrolysis of coal using a continuous free-fall pyrolyzer. W-C. Xu, M. Kumagai 11:00 —27. Evolution behavior of coalnitrogen in high-pressure pyrolysis pro cesses. Y. Okumura, Y. Sugiyama, K. Okazaki 11:25—30. Catalytic decomposition of am monia with iron nanoparticles supported on carbons. Y. Ohtsuka, C. Xu, D. Kong, N. Tsubouchi

MONDAY AFTERNOON Section A U.S. Grant Grand Ballroom Β Greenhouse Gas Control and Utilization Emission Control and Climate Change

Section Β U.S. Grant Grand Ballroom A Nitrogen Chemistry in Coal Utilization

M. A. Wojtowicz, P. F. Nelson, Y. Ohtsuka, Presiding 1:30—Introductory Remarks. 1:40—39. Nitrogen chemistry in coal volatiles and char combustion. P. F. Nelson, P. M. Nicholls, E. L. Ledesma 2:05—40. Contribution of char against N 2 0 formation in coal combustion condition. H. Moritomi 2:30—41. Reduction of NO over coal chars loaded with Na-Fe catalysts. B. Li, Z. Zhao 2:55—42. Experimental and modeling study on char nitrogen oxidation under fluidizedbed combustion conditions. P. Kilpinen, S. Kallio, J. Konttinen, M. Forssen 3:20—Intermission. 3:35—43. Simulating NOx formation in coalfired utility furnaces with elementary chemical reaction mechanisms. S. Niksa 4:00—44. Conversion of volatile nitrogen and char nitrogen to NO during combustion. A. Williams, M. Pourkashanian, J. M. Jones, S. Chaiklangmuang 4:25—45. Anthropogenic nitrogen oxides emissions in China in the period 19901998. H. Jiming, T. Hezhong, L. Yongqi, H. Kebin, D. Lei


M Materials *W Medicinal & Pharmaceutical •


4> Presidential Series

116

C & E N / M A R C H 5, 2 0 0 1

Section A U.S. Grant Grand Ballroom Β

M O N D A Y EVENING

C. Song, M. Aresta, Presiding

Sci-Mix

8:00-10:00 1,17, 26, 32, 46. See previous listings. 48, 56, 66, 73, 83, 88,103,106. See subse quent listings.

•

TUESDAY AFTERNOON


1:30—Introductory Remarks. 1:40—31. Zero-emission power plants as fu ture C 0 2 control technologies. P. Mathieu 2:25—32. Using a life cycle approach in an alyzing the net energy and global warming potential of coal-fired power production with C 0 2 capture and sequestration. P. Spath 2:45—33. Dual-bed catalytic system for NCy N 2 0 removal in the lean-burn de-NOx HCSCR. J. Pérez-Ramirez, F. Kapteijn, G. Mul, J. A. Moulijn 3:05—34. Reduction of C 0 2 emission by treatment of waste concrete via an artificial weathering process. M. Fujii, A. Yamasaki, M. Kakizawa, Y. Yanagisawa 3:25—Intermission. 3:45—35. Global warming—an evolving issue: Assessment of response alternatives. J. H. Shinn 4:30—36. New technology for the elimination of low-level designed emissions from gas production facilities. K. P. Kennedy, J. S. Blair 4:50—37. Control of methane emissions from oil- and gas-fired furnaces by hightemperature combustion of methane over thermally stable CoO-MgO catalyst. V. R. Choudhary, A. S. Mamman, S. G. Pataskar, S. Banerjee


8:30—Introductory Remarks. 8:40—55. Formation of polycyclic aromatic hydrocarbons from the pyrolysis of cellulosic materials. T. E. McGrath, M. R. Hajaligol 9:10—56. Computational and kinetic model ing of cellulose pyrolysis intermediates. M. R. Nimlos, E-J. Shin, A. L. Brown, D. D. Dayton, R. J. Evans, J. W. Daily 9:40—57. Effects of heat-treatment tempera ture and burn out on oxidation behavior of biomass: Pectin and Populus deltoïdes. H-S. Shim, M. R. Hajaligol, J. Belote 10:10—Intermission. 10:25—58. Evolution of cellulose char structure monitored by 13C CPMAS NMR. J. B. Wooten, B. Crosby, M. Hajaligol 10:55—59. Aromatic hydrocarbon formation from biomass pyrolysis. D. S. Kellogg, B. E. Waymack 11:25—60. Effect of additives on aromatic hydrocarbon evolution from biomass char. B. E. Waymack, D. S. Kellogg

Greenhouse Gas Control and Utilization Chemicals and Polymers Synthesis

S. Pisupati, Organizer

A Catalysis

• Reaction Mechanisms in Fuel Processing

P. F. Britt, A. C. Buchanan III, Organizers, Presiding

M. Aresta, C. Song, K-W. Lee, Presiding

•

Section Β U.S. Grant Grand Ballroom A

TUESDAY MORNING Section A U.S. Grant Grand Ballroom Β Greenhouse Gas Control and Utilization Reforming and Conversion

C. Song, M. Aresta, Presiding 8:30—Introductory Remarks. 8:40—47. Carbon routes in dry reforming of methane. C. Mirodatos, Y. Schuurman, L. G. Pinaeva 9:25—48. Dynamic characterization of car bon formation during C 0 2 reforming and steam reforming of CH 4 using oscillating microbalance. S. T. Srimat, W. Pan, C. Song, J. N. Armor 9:45—49. Carbon deposition on methane dry reforming catalysts at higher pressures. A. Shamsi, C. D. Johnson 10:05—50. Nano-gF-AI203-supported Ni cata lysts for C 0 2 reforming of CH 4 to syngas. J-M. Wei, B-Q. Xu, J-L. Li, Z-X. Chen, Q-M. Zhu 10:25—Intermission. 10:40—51. Advanced concepts for C 0 2 con version, storage, and reuse. D. Beecy, F. Ferrrel, J. Carey 11:00—52. Tri-reforming for C0 2 -based trigeneration of fuels, chemicals, and elec tricity using flue gas in a Vision 21 power plant. C. Song, S. T. Srimat, W. Pan, L. Sun 11:20—53. Oxy-C0 2 reforming and simulta neous oxy-C0 2 and steam reforming of methane to syngas over CoxNi-|.xO/MgO/ SA-5205. V. R. Choudhary, A. S. Mam man, B. S. Uphade 11:40—54. Ex-framework FeZSM-5: An effi cient catalyst for the removal and reutilization of N 2 0. J. Pérez-Ramirez, A. Ribera, G. Mul, F. Kapteijn, I. Arends, J. A. Moulijn

1:10—Introductory Remarks. 1:20—61. Developing innovative synthetic methodologies based on carbon dioxide: Life Cycle Assessment as a tool for the evaluation of the enviro-economic and en ergetic performance of new tech nologies—methanol and dimethylcarbonate as probe cases. M. Aresta, A. Dibenedetto, A. Caroppo 2:05—62. Copolymerization of carbon diox ide and cyclohexene epoxide. S. A. Mang, A. I. Cooper, A. B. Holmes 2:25—63. Direct chemical fixation of carbon dioxide to poly(GMA-co-St) and the miscibility behavior of its blend with poly(MMA). D. W. Park, S. Y. Park, Η. Υ. Park, S. W. Park 2:45—64. Synthesis and property of poly(hydroxy)urethane by the polyaddition reac tion of bis(cyclic carbonate) and 4,4'diaminodiphenylhexylmethane. J-K. Lee, M-R. Kim, P-S. Kim, E-H. Kang, T-W. Heo, D-W. Park 3:05—Intermission. 3:20—65. Heterogeneous catalytic activation of carbon dioxide as an oxidant. S-E. Park, J. S. Yoo, K. W. Jun, D. Raju, J-S. Chang, Κ. Υ. Lee 4:05—66. Nb 2 0 5 as catalyst in the oxidative carboxylation of olefins. A. Dibenedetto, M. Aresta 4:25—67. C0 2 as a C r building block for dialkyl carbonate synthesis. D. BallivetTkatchenko, H. Chermette, T. Jerphagnon 4:45—68. Efficient conversion of C 0 2 to eth ylene and CO during many hours with gas: Diffusion metal net electrodes in aqueous solution. K. Ogura, H. Yano, M. Nakayama, K. Hidaka 5:05—69. Electrochemical conversion of C0 2 to CO or acetate by enzymes in Clos tridium thermoaceticum. W. Shin, J. S. Kim, S. P. Lee, Y. Kim, J. W. Shin, S. H. Lee

Section Β U.S. Grant Grand Ballroom A • Reaction Mechanisms in Fuel Processing

2:05—71. Release of functionalized biomarkers from geomacromolecules via hydropy rolysis. C. E. Snape, G. D. Love, I. P. Mur ray 2:35—72. Thermal stability of hydrotreated refined chemical oil-derived jet fuels in the pyrolytic regime. J. M. Andrésen, J. J. Strohm, M. L. Boyer, C. Song, H. H. Schobert, S. Butnark 3:05—73. Use of compound-specific stable isotope measurements to probe anthropogenic PAH formation in environmental samples. C. E. Snape, C-G. Sun, C. McRae, A. E. Fallick, D. Fabbri 3:35—Intermission. 3:50—74. CO desorption from carbonyl surfaces species in the gasification of coal. A. Montoya, T. T. Truong, F. Mondragon, T. N. Truong 4:20—75. Molecular modeling of C 0 2 adsorption on carbonaceous surfaces. A. Montoya, F. Mondragon, T. N. Truong 4:50—76. Observing coke formation during thermal treatment of petroleum residue by means of hot-stage transmitted polarized light microscopy. A. Guo, Z. Wang, G. Que, B. Mu

WEDNESDAY MORNING Section A U.S. Grant Grand Ballroom Β · • Carbon Products for Environmental Applications

A. A. Lizzio, Organizer, Presiding 8:30—Introductory Remarks. 8:35—77. Fabrication of new nanoporous carbons through silica templates and their application to the adsorption of bulky dyes and humic substances. T. Hyeon, S. Han, J. Lee, K. Sohn 9:00—78. Effect of carbonization atmo spheres on the porosity evolution and structural changes of phenol-form aldehyde resin during carbonization and subsequent oxidation. M. I. Kim, C. R. Park, I. Michio 9:25—79. Volatile organic compounds char acteristics during the ZnCI2 additives biosolid. H-L Chiang, J-H. Tsai, M-C. Tsai


D. S. Kellogg, P. F. Britt, Presiding 8:30—Introductory Remarks. 9:00—80. Polycyclic aromatic hydrocarbons produced from the supercritical pyrolysis of methylcyclohexane. E. B. Ledesma, J. A. Sivo, M. J. Wornat 9:30—81. Influence of restricted diffusion on pyrolysis pathways for diarylmethanes. A. C. Buchanan III, P. F. Britt, L. J. Koran 10:00—82. Decarboxylation of salts of aro matic carboxylic acids and their role in cross-linking reactions. T. W. Clayton Jr., P. F. Britt, A. C. Buchanan III 10:30—83. Study on the transformation mechanism of sulfides. G. Zhu, D. Xia, G. Que 11:00—Intermission. 11:30—84. Diethyl carbonate synthesis from ethanol and carbon monoxide using sup ported copper catalysts. B. C. Dunn, Ε. Μ. Eyring, C. Guenneau, S. Hilton, J. Dworzanski, H. Meuzelaar, J. Z. Hu, R. J. Pugmire 12:00—85. Operating severity effect on prod uct's quality during atmospheric residue hydrotreating over an industrial M0O3/ Al 2 0 3 HDM catalyst. A. Marafi, A. Stainslaus, A. Hauser, S. Fukase, K. Matsushi ta, A. AI-Barood, M. Absi-Halabi 12:30—86. Role of contaminant metals in flu id catalytic cracking reactions: The effects on product boiling point distribution and chemical compositions. X. Zhao, J. A. Rudesill, W-C. Cheng

P. F. Britt, A. C. Buchanan III, Presiding 1:30—Introductory Remarks. 1:35—70. Equilibria of polycyclic aromatic hydrocarbon isomers in fuel pyrolysis products. N. D. Marsh, M. J. Wornat



WEDNESDAY AFTERNOON Section A U.S. Grant Grand Ballroom Β · • Environmental Challenges for Fossil Fuel Combustion Emission Issues in Fossil Fuel Utilization Cosponsored with Division of Environmental Chemistry

M. M. Maroto-Valer, Y. Soong, Organizers, Presiding 1:30—Introductory Remarks. 1:35—87. Opportunities for advancements in chemical processes in carbon sequestra tion and climate change mitigation. R. Kane, D. E. Klein 2:20—88. Conversion of silicate minerals with carbon dioxide producing environ mentally benign and stable carbonates. D. J. Fauth, Y. Soong, J. P. Knoer, Β. Η. Howard, W. J. Graham, M. M. MarotoValer, J. M. Andrésen, J. P. Baltrus 2:45—89. Understanding brown coal water: Interactions to reduce carbon dioxide emissions. L. M. Clemow, W. R. Jackson, A. L. Chaffee, R. Sakurovs, D. J. Allardice 3:10—Intermission. 3:25—90. Reducing greenhouse emissions from lignite power generation by improving current drying technologies. G. Favas, A. L. Chaffee, W. R. Jackson 3:50—91. Reduction of C 0 2 in steam using a photocatalytic process to form formic acid. D. D. Link, C. E. Taylor 4:15—92. Novel solid sorbents for C 0 2 capture. Y. Soong, K. J. Champagne, M. L. Gray, R. W. Stevens, P. Toochinda, S. S. C. Chuang, R. V. Siriwardane


G. Chan, P. F. Britt, Presiding 1:3fJ—Introductory Remarks. 2:00—93. PAH products of catechol pyroly sis: Temperature and residence time ef fects. N. D. Marsh, M. J. Wornat 2:30—94. Thermochemical kinetic analysis of free-radical degradation pathways in lignin model compounds. T. Autrey, P. Kandanarchichi, J. A. Franz 3:00—95. Polycyclic aromatic hydrocarbon formation in pyrolysis of polyphenol^ com pounds. R. K. Sharma, M. R. Hajaligol 3:30—Intermission. 4:00—96. Understanding the formation of ar omatic compounds from gas-phase pyrol ysis of lignin. E-J. Shin, M. Nimlos, R. J. Evans 4:30—97. Flash vacuum pyrolysis of plant steroids: The impact of steroid structure on the formation of polycyclic aromatic hy drocarbons. M. K. Kidder, P. F. Britt, A. C. Buchanan III 5:00—98. Mechanistic investigation into the formation of polycyclic aromatic hydrocar bons from the pyrolysis of stigmasterol. C. Owens Jr., P. F. Britt, A. C. Buchanan III

THURSDAY MORNING Section A U.S. Grant Grand Ballroom Β · • Environmental Challenges for Fossil Fuel Combustion Emission Issues in Fossil Fuel Utilization Cosponsored with Division of Environmental Chemistry

M. M. Maroto-Valer, Y. Soong, Presiding 8:3fJ—Introductory Remarks. 8:35—99. Analysis of multipollutant strate gies in energy markets. R. T. Eynon 9:20—100. Abundance, modes of occur rence, and removal of mercury in Illinois coals. I. Demir 9:45—101. Green engineering approach to reduce emissions of PAHs from coal tar pitches. J. M. Andrésen, Y. Zhang, Κ. Jensen, F. J. Rusinko Jr., H. H. Schobert 10:10—Intermission. HTTP://PUBS.ACS.ORG/CEN

10:25—102. Molecular characterization of hydrocarbons from soots in low-tem perature flames of biphenyl and Illinois #6 coal. J. E. Hunt, R. E. Winans, N. A. Tomczyk, R. Pugmire 10:50—103. Characterization of particulate matter collected with a Burkard sampler. S. A. Benson, D. P. McCollor, K. Eylands, J. Laumb, R. Jensen 11:15—104. Dioxin and furan emissions in FBC firing MSW. E. J. Anthony, L Jia, D. Granatstein

Section Β U.S. Grant Grand Ballroom A Argonne National Laboratory Premium Coal Sample Database

D. L. Wertz, R. E. Winans, Organizers, Presiding 8:30—Introductory Remarks. 8:40—105. Alkaloid-derived molecules in low-rank Argonne premium coals. R. E. Winans, N. A. Tomczyk, J. E. Hunt 9:05—106. Chemical determination of oxy gen: Containing functionality in Argonne National Laboratory premium coal sample. T. Aida, M. Yoneda, A. Nishisu, T. Yoshinaga, Y. Tsutsumi, I. Yamanishi, T. Yoshida 9:30—107. Effects of pyridine on the interlayer structuring in the APCs. D. L. Wertz, S. B. DuBose, A. D. Trahan, T. C. Turner 9:55—Intermission. 10:10—108. lonomer-like structures and their role in the pyridine-extractability of Argonne premium coals. P. Opaprakasit, P. C. Painter, M. L. Coleman, A. W. Scaroni 10:35—109. Short-term and long-term be havior of two Argonne premium coals in the presence of pyridine. S. B. DuBose, D. L. Wertz 11:00—110. Study of the interaction of or ganic compounds with Argonne premium coals by inverse liquid chromatography. T. Takanohashi, K. Nakano, O. Yamada

Section Β U.S. Grant Grand Ballroom A • Solid, Liquid, and Gaseous Fuel Chemistry

S. V. Pisupati, Organizer, Presiding 1:30—118. Determination of organic oxygen in coals with application to the study of coal weathering. J. A. MacPhee, J-P. Charland, J. T. Price, L. Giroux, W. P. Hutny, M. A. Khan 1:55—119. Hydrogen abstraction of petro leum residuum saturate structures under thermal treatment: Hydrogen abstraction measurement of model saturate hydrocar bons. A. Guo, Z. Wang, D. Yu, G. Que 2:20—120. Hydrogen abstraction of petro leum residuum saturate structures under thermal treatment: Relationship between hydrogen abstraction abilities of residue saturates and initial coke formation ten dency of residua. A. Guo, Z. Wang, D. Liu, G. Que

GEOC DIVISION OF GEOCHEMISTRY G. D. Cody, Program Chair


SUNDAY MORNING Section A

THURSDAY AFTERNOON Section A U.S. Grant Grand Ballroom Β · • Environmental Challenges for Fossil Fuel Combustion Energy-Related Waste Streams: Characterization, Recovery, and Utilization Cosponsored with Division of Environmental Chemistry

M. M. Maroto-Valer, Y. Soong, Presiding 1:30—Introductory Remarks. 1:35—111. Relationships between foam in dex, AEA adsorption, and unburned car bon content of coal-combustion fly ash. J. P. Baltrus, R. B. LaCount, D. G. Kern 2:00—112. Design approaches for passive treatment of coal combustion by product leachate. T. A. Rightnour, K. L. Hoover, R. Collins 2:25—113. Study of the effect of different cleanability processes on the properties of fly ash carbons. M. L Gray, K. J. Cham pagne, Y. Soong, R. P. Killmeyer, M. M. Maroto-Valer, J. M. Andrésen, M. V. Ciocco, P. H. Zandhuis 2:50—114. Characteristics of unburned carbon present in oil fly ash. Y-M. Hsieh, M-S. Tsai 3:15—Intermission. 3:20—115. Routes for the development of value-added products from high-carbon fly ashes. M. M. Maroto-Valer, Y. Zhang, J. M. Andrésen, A. Jones, J. L. Morrison 3:45—116. High-pressure intrinsic char oxidation kinetics. P. M. Madsen, T. H. Fletcher, W. C. Hecker 4:10—117. Assessment of the environmental impact and utilization of brines from oil and gas wells. A. Jones, C. Glass, T. K. Reddy, M. M. Maroto-Valer, J. M. Andrésen, H. H. Schobert

U.S. Grant Pavilion Chemical Reactivity of Aromatic and Sulfur-Containing Aromatic Hydrocarbons in Natural Systems

12:05—8. Solid-state NMR characterization of pollutant/soil organic matter interac tions: Pyrene sorption to cuticular materi als. J. R. Sachleben, B. Chefetz, A. P. Deshmukh, P. G. Hatcher

Section Β U.S. Grant Crystal • Biogeochemistry of Terrestrial Organic Matter

T. Filley, J. Hedges, Organizers T. Filley, Presiding 8:30—Introductory Remarks. 8:35—9. Fungal biodégradation of wood in soil contact. J. Jellison, B. Goodell, J. Connolly, W. Shortle, C. Fuller, A. Ostrofsky, C. Jasalavich, A. Amirbahman, T. Filley, S. S. Kelley 9:00—10. Oxidation mechanism of white rot and brown rot fungi. T. Mester, K. AmbertBalay, E. Varela, S. Ciofi-Baffoni, L. Banci, D. Jones, M. Tien 9:25—11. Role of fungi in nutrient cycling in forests. W. C. Shortle, J. H. Connolly, T. R. Filley, J. Jellison 9:50—Intermission. 10:05—12. Degradation of lignin in gymnosperm woods by wood rot fungi as observed by 13C-labeled TMAH thermochemolysis. T. Filley, R. Blanchette, J. Jellisson, B. Goodell, G. D. Cody 10:30—13. Structural characterization of terrestrially derived organic matter using quantitative TMAH thermochemolysis GCMS. S. W. Frazier, P. G. Hatcher, L. A. Kaplan, F. Cannon 10:55—14. Thermochemolysis reactions of tetramethylammonium hydroxide with tannins: Origins of methoxybenzenes and methoxytoluenes. C. Joli, A. Heitz, T. Huynh, R. I. Kagi 11:20—15. Molecular spectroscopic investigations into microbial degradation of plants. G. D. Cody, B. Goodell, J. Jellisson, T. Filley 11:45—16. Incorporation of inorganic nitrogen into humified organic matter as revealed by solid-state 2-D 15 N 13 C N M R spectroscopy. H. Knicker

SUNDAY AFTERNOON Section A

F. Behar, P. Hatcher, Organizers F. Behar, Presiding 9:00—Introductory Remarks. 9:10—1. Occurrence and origin of nonlignin aromatic moieties in kerogens. C. Largeau, S. Derenne, P. Metzger, T. Mongenot, A. Riboulleau 9:50—2. Computational chemical investiga tion into the first steps of isorenieratene diagenesis. A. C. T. van Duin, J. S. Sinninghe Damste 10:10—Intermission. 10:25—3. Noncovalent interactions between PAHs and humic substances as deter mined by advanced nuclear magnetic res onance methods. P. G. Hatcher, M. J. Salloum, A. J. Simpson 10:45—4. Molecular-level radiocarbon analy sis of perylene in aquatic sediments: Pre liminary results. C. M. Reddy, T. I. Eglinton, L. Xu, A. Lima 11:05—5. Oxidative coupling of hydroxylated aromatic compounds in natural systems. H. Selig, W. J. Weber Jr. 11:25—6. Sorption of phenanthrene to com ponents of plant cuticles. A. P. Deshmukh, M. J. Salloum, J. R. Sachleben, P. G. Hatcher 11:45—7. Toxic inhibition of acetoclastic methanogenesis in crude oil- and creo sote-contaminated aquifers. E. Warren, B. A. Bekins, E. M. Godsy, V. K. Smith

U.S. Grant Pavilion Chemical Reactivity of Aromatic and Sulfur-Containing Aromatic Hydrocarbons in Natural Systems

A. E. Bence, Presiding 2:00—17. Analysis of PAHs in environmental matrices: Qualitative and quantitative approaches. H. Budzinski, K. Le Menach, J. Bellocq, P. Garrigues 2:40—18. Separation of sulfur heterocycles. J. T. Andersson, T. Schade 3:00—19. Improved characterization of aromatic hydrocarbons in oils through separation of organo-sulfur compounds. S. Derenne, M. M. Vandenbroucke, F. Behar, C. Largeau 3:20—Intermission. 3:40—20. Development of new techniques in the field of quantitative and isotopic analyses of aromatic and sulfur-aromatic compounds in water samples: Potential for petroleum and environmental geochemistry. P. Blanc, D. Dessort, D. Duclerc-Mouton, P. Poli, Y. Poirier 4:00—21. Application of mass spectrometry and group type analysis to oils of different geochemical origins. I. Kowalewski, A. Fafet, M. Da-silva, F. Waucher 4:20—22. Hydrocarbon analysis by GC/FI/ time-of-flight mass spectrometry: Combination of boiling point separation, soft ionization, and accurate mass measurement. K. Qian


C & E N / M A R C H 5, 2 0 0 1

117

GEOCATECHNICAL PROGRAM


J. Hedges, Presiding 1:30—23. Investigation of the chain length and chemical constitution of individual condensed tannins by MALDI-TOF mass spectrometry and the correlation with their protein binding affinity. A. Behrens, N. Maie, H. Knicker, I. Kôgel-Knabner 1:55—24. Chemical and spectroscopic study of the biodégradation of lignin in forest soils affected by nitrogen deposition. M-F. Dignac, E. Matzner, K. Michel, H. Knicker, I. Kôgel-Knabner 2:20—25. Changes observed by NMR and pyrolysis GC/MS of Harvard Forest soils and their associated plant components caused by ten years of heavy nitrogen fertilization. K. J. Dria, D. B. Dail, J. Chorover, E. A. Davidson, P. G. Hatcher 2:45—26. Preservation of proteinaceous materials in natural environments. X. Zang, P. G. Hatcher 3:10—Intermission. 3:25—27. Molecular turnover rates of soil organic matter. G. Gleixner, N. Poirier 3:50—28. Contribution of lignin and polysaccharides to the refractory carbon pool, as studied in C-depleted arable soils. I. Kôgel-Knabner, R. Kiem, H. Knicker, M. Kôrschens 4:15—29. 13 C/ 12 C ratios of plant-derived n-alkanes in soil particle-size fractions. E. Lichtfouse, C. Cayet 4:40—30. Which substances contribute significantly to the enrichment of nonextractable alkyl carbon structures during litter decomposition and humification in soils? A. Winkler III, L. Haumaier, W. Zech 5:05—31. Investigating populations of methane-oxidizing bacteria using compoundspecific stable isotope techniques. Z. Crossman, N. McNamara, P. Ineson, R. P. Evershed

Section C U.S. Grant Grand Ballroom D Microbial Molecular Markers in Aquatic Biogeochemical Cycles

M. McCarthy, R. Harvey, Organizers M. McCarthy, Presiding 2:00—Introductory Remarks. 2:10—32. Polymer assembly and carbon cycling in the ocean. P. Verdugo 2:45—33. Contrasting enzyme activities and substrate specificities in seawater and sediments: A reflection of microbial community composition? C. Arnosti 3:10—34. Investigations of bacterially derived cellular material at the submicron scale. J. A. Brandes, G. D. Cody, S. Wirick, J. I. Hedges 3:35—Intermission. 3:50—35. Mycosporines in the environment: Their analysis and implications. K. Whitehead, A. A. Gorbushina, J. I. Hedges 4:15—36. Lipid biomarkers from marine caulobacteria as tools to study detail carbon flow. W-R. Abraham, R. Christ, C. Strompl, J. Smit, C. Hesse

A Catalysis •


•


M Materials 'ΨΓ Medicinal & Pharmaceutical •



118

C & E N / M A R C H 5, 2 0 0 1

4:40—37. Shifts in microbial composition and contribution to macromolecular dissolved organic matter in experimental mesocosms. A. Mannino, R. Harvey, D. Kirchman, M. Cottrell 5:05—38. Amino acid D/L-enantiomers as in dicators of in situ production bacterial cell walls in marine sediments. M. Grutters, W. van Raaphorst, E. Epping, W. Helder, D. Glavin, J. Bada, J. W. de Leeuw

MONDAY MORNING Section A U.S. Grant Pavilion Chemical Reactivity of Aromatic and Sulfur-Containing Aromatic Hydrocarbons in Natural Systems

Z. Aisenshtat, Presiding 9:00—39. Normal phase separation of aro matic compounds by high-performance liq uid chromatography on charge-transfer columns: Comparison on standard mix tures and aromatics from narrow cuts of Boscan and Arjuna crude oils. M. M. Vandenbroucke, C. Leblond 9:20—40. 13C analysis of PAH: A new di mension in source assessment studies. H. Budzinski, L. Mazéas, K. Le Menach, J. Bellocq 9:40—41. Analysis of total sulfur and speciation of sulfur compounds by hyphenated techniques. F. Baco, A. Bre, S. Carbonneau 10:00—Intermission. 10:15—42. Resolving multiple sources of the petrogenic hydrocarbon background in benthic sediments of Prince William Sound, Alaska. A. E. Bence, D. S. Page, P. D. Boehm, G. S. Douglas, J. S. Brown 10:55—43. Biodégradation of lignite in lignite-containing mine soils. C. Rumpel, I. Kôgel-Knabner 11:15—44. Biodégradation by microbial mats of alkylated aromatic hydrocarbons from petrogenic origin. H. Budzinski, S. Delgoulet, S. Demars-Colle, R. Duran, R. Guyoneaud, P. Caumette 11:35—45. Biodégradation and bioremediation of petroleum and petroleum-derived compounds—water transportation, solubility, and emulsification influence: An overview and study. Z. Aisenshtat, I. Mamajanov, I. Miloslavsky, Y. Cohen 11:55—46. Reactivity and biological activity of PAH on respirable particulates. R. L. Kristovich, J. F. Long, W. J. Waldman, M. V. Williams, P. K. Dutta

Section Β U.S. Grant Crystal • Biogeochemistry of Terrestrial Organic Matter T. Filley,

Presiding

9:00—47. Controls on formation and degra dation of soil organic carbon. C. W. Rice, M. Williams, Y. Espinoza 9:25—48. 13C and 14 C: Depletion of grasses growing in urban areas contaminated by fossil-fuel C0 2 . E. Lichtfouse, M. Licht fouse, M. Kashgarian 9:50—49. Direct identification and radiocar bon dating of microchar in soils. M. W. I. Schmidt, C. Jâger, J. O. Skjemstad 10:15—Intermission. 10:25—50. Sorption of dissolved organic matter to soil particle surfaces: What happens with the carbon? G. A. Guggenberger, K. Kaiser 10:50—51. Seasonal control on the production of dissolved organic carbon and nutrients in the forest floor. K. Kaiser, G. Guggenberger, L. Haumaier 11:15—52. Factors controlling the nature and reactivity of aquatic humic substances. G. Aiken 11:40—53. Application of Fourier-transform ion cyclotron resonance mass spectrometry to the structural characterization of terrestrial organic material. E. Kujawinski, M. A. Freitas, P. G. Hatcher

Section C U.S. Grant Grand Ballroom D Microbial Molecular Markers in Aquatic Biogeochemical Cycles

R. Harvey, Presiding 8:30—54. Using chemical characterization to determine sources of DOM to the marine environment. L. Aluwihare 8:55—55. Dissolved organic carbon in Endeavor segment of Juan de Fuca Ridge. S. Q. Lang, J. I. Hedges, D. Butterfield 9:20—56. Tracing the routing and synthesis of amino acids using gas chromatography/ combustion/isotope ratio mass spectrometry in paleodietary reconstruction. V. Jones, S. Ambrose, R. P. Evershed 9:45—57. Stable carbon isotopic fractionation in the marine copepod Temora longicornis. K. Grice, W. C. M. Klein Breteler, S. Schouten, R. Kloosterhuis, J. S. Sinninghe Damsté 10:10—Intermission. 10:30—58. Detecting biochemical pathways and taxonomic groups with isotopes: Some examples using amino acids. W. Savidge 10:55—59. Examination of carbon isotopic fractionation in amino acids to investigate microbial metabolism. J. H. Scott, M. L. Fogel 11:20—60. Molecular tracers of organic nitrogen sources in the sea: del 15N and 13C composition of amino acids in dissolved and particulate organic matter from the equatorial Pacific. M. D. McCarthy, M. Fogel, C. Lee, J. I. Hedges, R. Benner 11:45—61. Seasonal and Diel determinants of the isotopic composition of organic matter in a freshwater wetland. S. Ziegler, M. L. Fogel

MONDAY AFTERNOON Section A U.S. Grant Pavilion Chemical Reactivity of Aromatic and Sulfur-Containing Aromatic Hydrocarbons in Natural Systems

F. Lorant, Presiding 2:00—62. Experimental study of the reactions of OH radicals with polycyclic aromatic hydrocarbons adsorbed on graphite particles. W. Esteve, H. Budzinski, E. Villenave 2:20—63. Geochemistry of abietane hydrocarbons in a solid-waste landfill. M. Ahel 2:40—64. Effect of heavy metals on the biodegradation of 14C-phenanthrene in soils. C. L. Saison, C. Perrin-Ganier, J-L. Morel 3:00—Intermission. 3:20—65. Elementary and bulk reaction paths for thermal cracking. F. Lorant, F. Behar 4:00—66. Generation and destruction of aromatic sulfur compounds and its implication of oil cracking under reservoir conditions. B. Gillaizeau, R. Hwang, Y. Tang 4:20—67. Comparison of the generation and degradation rates of saturated and aromatic hydrocarbons in geological conditions. F. Behar, B. Gillaizeau, F. Lorant, Y. Tang


J. Hedges, Presiding

1:55—69. Geochemical transformation of or ganic sulfur compounds: Role of bimessite catalysis. A. Naidja, M. A. Vairavamurthy 2:20—70. Understanding the sources of dis solved organic carbon in the Sacramento/ San Joaquin River Delta, Calif. B. A. Bergamaschi, R. Fujii, M. S. Fram 2:45—71. Terrestrial organic matter cycling on the inner Louisiana Shelf. E. S. Gor don, M. A. Goni 3:10—Intermission. 3:20—72. Factors influencing the transport of kerogen in the Eel River sedimentary sys tem. N. E. Blair, E. L. Leithold, J. Holmes, D. Perkey, K. Peeler, S. T. Ford 3:45—73. Molecular paleontology: Tracing the evolutionary roots of angiosperms us ing the molecular fossil oleanane. M. J. Moldowan, D. A. Zinniker, J. Dahl 4:10—74. Effects of fossil fungal infection on lipid extract composition of higher plants remains. T. T. Nguyen Tu, S. Derenne, C. Largeau, A. Mariotti, H. Bocherens, D. Pons 4:35—75. New insights on the diagenesis of diterpenes. D. A. Zinniker, M. Moldowan, P. Denisevich Section C U.S. Grant Grand Ballroom D Surface Complexation Models: A Bridge Between Spectroscopy and Fate and Transport S. Carroll, M. Zavarin, S. Carroll,

Organizers

Presiding

2:00—Introductory Remarks. 2:10—76. Comparison of surface complex ation models for metal adsorption with spectroscopic studies. D. A. Sverjensky 2:30—77. Do surface complexation models scale from the molecular level to the mac roscopic level? W. H. Van Riemsdijk, T. Hiemstra 2:50—78. Influence of dielectric constant on metal surface complexation. L. J. Criscenti, J. D. Kubicki 3:10—79. Application of X-ray absorption spectroscopy to surface complexation modeling of single- and bisolute metal ion adsorption. L. E. Katz, A. C. Scheinos, D. L. Sparks, S. L. Harty, J. A. Dyer 3:30—Intermission. 3:50—80. Evaluation of silica: Water surface chemistry using NMR spectroscopy. R. S. Maxwell, S. Carroll, W. L. Bourcier 4:10—81. Strontium sorption to mineral sur faces: A discussion of the importance of surface charge for outer-sphere sorption. S. Carroll, S. Roberts, P. O'Day 4:30—82. In situ spectroscopic studies of sulfate and borate adsorption mechanisms on iron oxides: Implications for surface complexation modeling. J. D. Peak, D. L. Sparks 4:50—83. Modeling the surface complex ation properties of rutile up to hydrother mal conditions. M. K. Ridley, M. L. Machesky, D. J. Wesolowski, D. A. Palmer

TUESDAY MORNING Section A U.S. Grant Pavilion Chemical Reactivity of Aromatic and Sulfur-Containing Aromatic Hydrocarbons in Natural Systems

P. Hatcher, Presiding 9:00—84. Application of triaromatic steroids as age-related biomarkers. S. M. Barbanti, J. M. Moldowan

1:30—68. Accumulation and recycling of car bon, phosphorus, and sulfur in sediments from contaminated and pristine sites in the Florida Everglades. W. H. Orem, H. E. Lerch, A. L. Bates



9:20—85. Elements on refractory sulfur compounds after hydrotreatment of vacuum residue. S. Kressmann, F-X. Haulle 9:40—86. Reconstructing the geological history of Australian crude oils using aromatic hydrocarbons. B. G. K. van Aarssen, T. P. Bastow, R. Alexander, R. I. Kagi 10:00—Intermission. 10:20—87. Aromatic moitiés distribution in aromatics and NSO compounds from crude oil before and after hydrodesulfurization process. S. Kressmann, F. Behar, L. Mazeas 11:00—88. Thermodynamic constraints on the formation and evolution of sulfurcontaining aromatic compounds in petroleum systems. L. Richard, H. C. Helgeson, W. F. McKenzie 11:20—89. Generation of hydrocarbon gas from coal and its relation to carbon isotope fractionation. B. Cramer, E. Faber, P. Gerling, B. M. Krooss, R. G. Schaefer, A. Hollerbach 11:40—90. Investigation into tentative precursors of reservoir pyrobitumen. A. J. Mort, I. Kowalewski, A-Y. Hue, F. Laggoun-Défarge

Section Β U.S. Grant Crystal

10:00—102. Rates of uranium(VI) sorption and surface precipitation on mineral sur faces. D. E. Giammar, J. G. Hering 10:20—Intermission. 10:40—103. Iron XAS of reduced estuarine sediments and geochemical modeling of pore water: Sediment reactions. P. A. O'Day, S. Randall, S. A. Carroll 11:00—104. Reaction-based model for com petitive sorption and transport of Cd and Zn in soils. A. Voegelin, R. Kretzschmar 11:20—105. Cesium migration in Hanford sediments. C. I. Steefel, S. Carroll, P. Zhao, P. C. Lichtner 11:40—106. Simulating reactive transport of radionuclides at the NTS using nonelectrostatic surface complexation. M. Zavarin 12:00—Concluding Remarks.

WEDNESDAY MORNING TUESDAY AFTERNOON

Section A Section A

U.S. Grant Pavilion Geochemistry Division Medal Symposium in Honor of Frank Millero The Importance of Metal-Ligand Interactions in Natural Waters

Κ. Β. Anderson, Organizer, Presiding

Advances in Stable Isotope Biogeochemistry New Developments and Approaches

M. A. Teece, Organizer R. D. Pancost, Presiding 8:45—Introductory Remarks. 8:50—91. Liquid chromatography/isotope ra tio mass spectrometry via a moving wire interface. A. L. Sessions, A. Pearson, J. M. Hayes 9:15—92. Compound-specific stable isotope characterization of volatile fatty acids (C 2 C6). S. Waldron, T. Preston 9:40—93. Flow cytometric retrieval of in situ ô13C signatures of algal populations using pyrolysis-GC-IRMS. R. Pel, H. Hoogveld, V. Floris 10:05—94. Compound-specific stable carbon isotopes: The effect of biosynthetic pathways. S. Schouten, S. Ozdirekcan, B. V. Dongen, M. J. T. V. D. Meer, J. S. Sinninghe Damsté 10:30—Intermission. 10:45—95. High-precision isotope ratio fingerprinting of ethanol and other commercial molecules and materials. C. B. Douthitt, A. Hilkert 11:10—96. Oxygen-deuterium isotopic measurements using a variety of pyrolysis methods: IRMS continuous flow techniques. S. Davis 11:35—97. Sensitive detection of stable isotopes in geochemistry using multiphoton laser wave-mixing spectroscopy. J. Schafer, R. Briggs, W. G. Tong 12:00—98. On-line determination of δ 18 0 in silicates, carbonates, and other inorganic substances: First results. R. A. Werner, S. Braeunlich, W. A. Brand

Section C U.S. Grant Grand Ballroom D Surface Complexation Models: A Bridge Between Spectroscopy and Fate and Transport

M. Zavarin, Presiding 9:00—99. Surface complexation effects in bacterial metal reduction. A. P. Belz, M. Andrews, K. H. Nealson, C. C. Ahn 9:20—100. Competitive sorption of Cu and Pb to hematite and fulvic acid/hematite complexes: Testing the linear addivity ap proach. R. Kretzschmar, I. Christl 9:40—101. Catalytic effects of goethite on chromium(VI) reduction by hydrogen sul fide in anaerobic aqueous phase. C. Kim, Y. Lan, Β. Deng, Ε. C. Thornton

4:25—116. Distribution and occurrences of torbanites in Pangaea: Stable carbon iso topic composition of biomarkers related to climate. K. Grice, M. Audino, R. Alex ander, C. Boreham, R. I. Kagi 4:50—117. Compound-specific hydrogen isotope analysis: New insights into geo chemical and biogeochemical reaction mechanisms. B. Sherwood Lollar, G. Lacrampe-Coulome, J. A. Ward, G. F. Slater 5:15—118. Paleoclimate records in com pound-specific ÔD values of lipid biomarkers in ombrotrophic peat. R. P. Evershed, F. D. M. Volders, S. Xie, C. J. Nott, L. A. Avesjes, D. Maddy, F. M. Chambers, A. Gledhill, J. F. Carter

1:30—Introductory Remarks. 1:35—107. Inorganic speciation in natural waters. R. H. Byrne 2:20—108. Metal organic complexation in the environment. G. W. Luther III 3:05—Intermission. 3:15—109. Potential consequences of metal/ natural organic ligand complexes in the marine environment. K. W. Bruland 4:00—Geochemistry Division Medal Presentation. Presentation of the Geochemistry Division Medal to Frank Millero. A. Pavlath 4:10—110. Award Address (Geochemistry Division Medal). Speciation of metals in natural waters. F. J. Millero 5:05—Concluding Remarks.

Section Β U.S. Grant Crystal Advances in Stable Isotope Biogeochemistry Compound-Specific Applications

M. A. Teece, Presiding 2:00—Introductory Remarks. 2:05—111. Methodical investigations on 513C analysis of amino acid enantiomers with GC-C-IRMS and application in soil science. B. Glaser, W. Amelung 2:30—112. Two strategies to enhance the volatility of nonpolar and aromatic amino acids without the addition of extraneous carbon for high-precision isotopic analysis. B. I. Ziadeh, A. L. Michaud, N. M. R. Saad, B. A. Lewis, P. Pencharz, J. T. Brenna 2:55—113. Investigations of turtle metabo lism and hatchling development using sta ble carbon isotope analysis of individual amino acids. M. A. Teece, C. W. Swarth, N. Tuross, M. L. Fogel 3:20—114. Influence of long-term fertilizer and manure on the distribution and 15N natural abundance values of amino acids in the Versailles "42 parcelles": Prelimi nary results. R. Bol, Ν. J. Ostle, C. C. Chenu, J. Balesdent, K. J. Petzke, J. Cockburn 3:45—Intermission. 4:00—115. Carbon and nitrogen stable iso tope variation in primate hair reflects eco logical and dietary variation. M. J. Schwen inger, J. L. Bada

U.S. Grant Pavilion Theoretical, Experimental, and Observational Techniques for Hydrothermal Chemistry

A. Sharma, Organizer, Presiding 9:00—119. XAFS analyses of solutions at subcritical and supercritical conditions in the hydrothermal diamond anvil cell. W. A. Bassett, A. J. Anderson, R. A. Mayanovic, l-M. Chou 9:20—120. Solvation of inorganic metal ion complexes under hydrothermal conditions: Novel results from X-ray absorption analyses. R. A. Mayanovic, S. Jayanetti, A. J. Anderson, W. A. Bassett, l-M. Chou 9:40—121. XAFS analysis of radiationinduced small Cu particle cluster formation in aqueous CuCI2. S. Jayanetti, R. A. Mayanovic, A. J. Anderson, W. A. Bassett, l-M. Chou 10:00—122. Determination of critical temperatures of BaCI2-saturated aqueous solution by visual method in a diamond-anvil cell. l-M. Chou, J. L. Bischoff 10:20—Intermission. 10:40—123. Thermodynamic models of natural fluids: Theory and practice. J. H. Weare, N. Moller, Z. Duan, C. Christov 11:00—124. Hydrogen bonds at hydrothermal conditions. P. Dera 11:20—125. Stability and dynamics of clathrate hydrates under pressure. J. S. Tse, H. Itoh, D. D. Klug, E. P. van Klaveren 11:40—126. Monte Carlo Gibbs ensemble simulation of phase equilibria of the RWK2 water. Z. Duan, N. Me Her, J. H. Weare 12:00—127. Direct observations on the phase behavior of C 0 2 in hydrothermal systems. A. Sharma, A. McAdam, G. D. Cody, R. M. Hazen, R. J. Hemley

Section Β U.S. Grant Crystal • Biogeochemistry of Archaea

9:55—132. Anaerobic oxidation of methane mediated by a microbial consortium above marine gas hydrate. A. Boetius, M. Elvert, K. Nauhaus, K. Ravenschlag, D. Rickert, C. Schubert, T. Treude 10:20—Intermission. 10:35—133. Lipid biomarker analysis of methane carbon cycling in anaerobic sediments of Hydrate Ridge, Cascadia margin. M. Elvert, A. Boetius, D. Rickert, T. Treude, K. Ravenschlag, Β. Β. Jorgensen, E. Suess 11:00—134. Archaeal and bacterial interac tions during anaerobic methane oxidation at cold seeps. R. D. Pancost, I. Bouloubassi, G. Aloisi, E. Hopmans, J. Werne, C. Pierre, J. S. Sinninghe Damsté 11:25—135. How methane-consuming microbial communities induce carbonate crust formation. G. Aloisi, I. Bouloubassi, R. D. Pancost, S. Heijs, C. Pierre, J. S. Sinninghe Damsté, L. J. Forney, J. C. Gottschal, E. C. Hopmans 11:50—136. Molecular fossils from ancient methane: Related settings. V. Thiel, J. Peckmann, J. Reitner, W. Michaelis

WEDNESDAY AFTERNOON Section A U.S. Grant Pavilion Biogeochemical Consequences of Dynamic Interactions Between Benthic Fauna, Microbes, and Aquatic Sediments

Y. Furukawa, Organizer, Presiding 2:00—Introductory Remarks. 2:10—137. Impact of polychaetes (Nereis and Arenicola) on sediment biogeochemistry in coastal areas: Past, present, and future developments. E. Kristensen 2:30—138. Fate of phytodetritus in continental slope sediments. N. E. Blair, L. Levin, D. DeMaster, G. Plaia, C. Marten, C. J. Thomas, W. Fornes 2:50—139. Enhanced organic matter remineralization and nutrient turnover by populations of burrowing shrimp in Yaquina Bay, Ore. A. F. D'Andréa, T. H. DeWitt, P. M. Eldridge 3:10—Intermission. 3:30—140. Feedback in the benthic boundary layer between bacteria, large fauna, chemistry, physics, and human activities. D. E. Duplisea, S. J. Malcolm, R. Parker 3:50—141. Chemical and biological implications of water flow through permeable sediments. G. L. Taghon, C. M. Fuller, C. E. Reimers, S. E. Boehme 4:10—142. Voltammetric microelectrodes to investigate the effect of bioturbation on the 3-D distribution of redox species in sediment pore waters. M. Taillefert, D. C. Bull 4:30—143. Comparing effects of quantity and C-N ratio of organic matter on marine benthic fluxes using multivariate experimental design. l-M. Karle, I. Dahllôf, P. O. J. Hall

S. Schouten, Organizer, Presiding 8:15—128. Polar ether lipids as taxonomic and quantitative markers of archaea. Y. Koga 8:40—129. Widespread occurrence of struc turally diverse tetraether membrane lipids. S. Schouten, E. Hopmans, R. D. Pancost, J. S. Sinninghe Damste 9:05—130. Compound-specific 14C mea surements of archaeal and bacterial lipids from the sediment-water interface of San ta Barbara Basin. A. Pearson, T. I. Eglinton, J. M. Hayes 9:30—131. Detection, identification, and mo lecular monitoring of archaeal communi ties located on deteriorated ancient wall paintings. G. Pifiar, C. SchabereiterGurtner, W. Lubitz, S. Rôlleke

Section Β U.S. Grant Crystal Extraterrestrial Organic Chemistry

J. G. Blank, M. P. Bernstein, Organizers, Presiding 1:30—Introductory Remarks. 1:35—144. Aspects of exogenous delivery. M. P. Bernstein, J. G. Blank 1:50—145. Observations of organic material in the interstellar medium. J. E. Chiar 2:15—146. Amino acids in space environ ments. P. Erenfreund



C & E N / M A R C H 5, 2 0 0 1

119

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2:40—147. Sugar-related compounds in car bonaceous meteorites. G. W. Cooper, N. Kimmich, J. Sarinana, K. Brabham, L. Garrel, W. A. Belisle 3:05—Intermission. 3:20—148. Organic content of the Tagish Lake meteorite. S. Pizzarello 3:45—149. Molecular spectroscopic charac terization of the organic macromolecule in the Murchison meteorite. G. D. Cody, C. Alexander 4:10—150. Degradation of complex and re fractory organic material as a source of light and volatile molecules: The case of extended sources in comets. H. Cottin, M-C. Gazeau, Y. Benilan, F. Raulin 4:35—151. Low-temperature ice photochem istry as a source of meteohtic and cometary organics. J. E. Elsila, J. S. Gillette, R. N. Zare, M. P. Bernstein, J. P. Dworkin, S. A. Sandford, L. J. Allamandola

THURSDAY MORNING

9:40—161. Microbial degradation of organic matter in deep-sea sediments: Responses to POM pulses. A. Boetius, U. Witte, M. Sand, O. Pfannkuche 10:00—162. Exploring the role of gut microbiota in the fiddler crab (Uca pugilator). L. K. Gulmann, L. S. Mullineaux 10:20—Intermission. 10:40—163. Diatom and bacterial extracellu lar polymers in marine sediment stabiliza tion. K. E. Cooksey, B. W. Cooksey 11:00—164. Role of organic carbon excre tion by bulbous rush and its turnover and utilization by bacteria under iron plaques in extremely acid sediments. A. Chabbi, C. Rumpel 11:20—165. Quantifying biologically induced solute transport in aquatic sediments: An inverse approach. C. D. Meile, C. M. Koretsky, P. Van Cappellen 11:40—166. Modeling small-scale spatial heterogeneity in early diagenesis. C. D. Meile, P. Van Cappellen, C. M. Koretsky, P. Régnier

Section A U.S. Grant Pavilion Theoretical, Experimental, and Observational Techniques for Hydrothermal Chemistry

Extraterrestrial Organic Chemistry

M. P. Bernstein, J. G. Blank, Presiding

A. Sharma, Presiding 9:00—152. Simulated hydrothermal vent studies should not forget the Arrhenius equation! J. L. Bada, S. L. Miller 9:20—153. Geochemical obstacles in hydrothermal biopoesis. G. O. Arrhenius 9:40—154. Experimental investigation into nonbiological carbon fixation reactions un der high-temperature/high-pressure condi tions. G. D. Cody, J. Brandes, R. Hazen, H. Morowitz, A. Sharma, H. Yoder Jr. 10:00—155. In situ monitoring of organic re actions under hydrothermal conditions. A. Sharma, G. D. Cody, R. M. Hazen, R. J. Hemley 10:20—Intermission. 10:40—156. Catalysis in prebiotic synthesis: Montmorillonite catalysis of RNA forma tion. J. P. Ferris, P. C. Joshi, G. Ertem, K-J. Wang 11:00—157. Catalysis in the 3-D: How or ganic molecules may be formed. F. Freund 11:20—158. Hydrothermal production of amphiphilic molecules from pyruvate. R. M. Hazen, G. D. Cody, H. S. Yoder Jr., D. W. Deamer Section Β

9:00—167. Meteoritic and organic material in the atmosphere. D. J. Cziczo, D. Murphy, D. Thomson, C. Dobson, B. Ellison, A. Tuck, V. Vaida 9:25—168. Energetic processing of astrophysical ice analogs. P. Gerakines, M. Moore, R. Hudson 9:50—169. Survivability of simple biomolecules during extraterrestrial delivery: Thermal effects. V. Basiuk 10:15—Intermission. 10:30—170. In situ spectroscopic observation of chemical reaction within vapor clouds induced by meteoritic impacts. S. Sugita, P. Schultz 10:55—171. Generation of peptides in impact events. J. G. Blank, M. J. Ahrens, G. Miller, R. Winans 11:20—172. Amino acid racemization on Mars. K. Brinton, A. Belz, G. D. McDonald 11:45—173. Self-assembled vesicles of monocarboxylic acids and alcohols: A model system for membrane structure and function in early cellular life. C. Apel, M. Mautner, D. W. Deamer

Biogeochemical Consequences of Dynamic Interactions Between Benthic Fauna, Microbes, and Aquatic Sediments

Y. Furukawa, Presiding 9:00—159. Sulfide control of infaunal distri butions at northern California methane seeps. L. A. Levin, W. Ziebis 9:20—160. Biogeochemicals as controlling factors in the behavior and growth of young-of-the-year winter flounder. A. F. J. Draxler

Catalysis

•


•


Η Materials

Biogeochemical Consequences of Dynamic Interactions Between Benthic Fauna, Microbes, and Aquatic Sediments

Y. Furukawa, Presiding 1:30—178. Geochemical cycling of algal lip ids in surface sediments with different bio logical and physical mixing processes. M-Y. Sun 1:50—179. Seasonal variation of dissolved organic matter and nitrogen, and carbon recycling rates in a coastal marine sedi ment. P. O. J. Hall, A. Landén-Hillemyr, S. Hulth 2:10—180. Effect of extraction method on marine sediment humic acid characteristics: Implications for the elucidation of contaminant behavior. Ε. Μ. Arias, S. E. Apitz 2:30—Intermission. 2:50—181. Fate and reactivity of sedimenta ry lipid biomarkers in bioturbated Mediter ranean coastal sediments: A laboratory approach. V. Grossi, S. Caradec, F. Gil bert 3:10—182. Consequences of sediment mix ing for the depth distribution of bacterial fatty acids in intertidal sediments. A. M. Langenzaal, S. R. Ernst, R. R. Haese, P. F. van Bergen, G. J. van der Zwaan 3:30—183. Quantitative determination of bioturbation and bioirrigation in cohesive sed iments. Y. Furukawa 3:50—Concluding Remarks.

U.S. Grant Pavilion Theoretical, Experimental, and Observational Techniques for Hydrothermal Chemistry A. Sharma,

Presiding

1:30—174. Influence of submarine hydrothermal activities onto the archean ocean chemistry and ecosystem. T. Kakegawa 1:50—175. Correlating mineralogy of black smoker chimneys to synchrotron X-ray tomography images. D. A. Ashbridge, P. A. O'Day, J. C. Muccino, D. S. Kelley 2:10—176. Search for photosynthesis at deep-sea hydrothermal vents. R. E. Blankenship, C. L. van Dover, F. G. Plumley, P. G. Falkowski, J. T. Beatty, V. V. Yurkov, Z. S. Kolber, M. C. Lince, J. R. Raymond, A. S. Lang, C. Rathgeber, S. R. Sczekan 2:30—177. Experimental examination of effects of hydrothermal conditions on microbial metabolism. J. H. Scott, A. Sharma

10:30—4. Olin Freeman Tower: The super oxide electrode and the salt bridge. J. T. Stock 11:00—5. Photographic and video portraits of heroes in science: The human side of chemistry. J. I. Seeman Nuclear Chemistry: The First Hundred Years—Science, People, and Politics cosponsored with Division of Nuclear Chemistry & Technology (see page 143)

MONDAY AFTERNOON Hyatt Regency Connaught Chemistry in WWII and Immediate Postwar Period (1939-1957)

R. E. Rice, Organizer, Presiding 2:00—Introductory Remarks. 2:05—6. Nervous reactions. H. Goldwhite 2:35—7. Fischer-Tropsch process and prod uct development during World War II. P. F. Schubert, S. C. LeViness, K. B. Arcuri, A. N. Stranges 3:05—8. Degussa and the atrocities of the Second World War. E. Klingsberg 3:35—Intermission. 3:5fJ—9. Fischer-Tropsch process develop ment in the immediate postwar era. P. F. Schubert, S. C. LeViness, Κ. Β. Arcuri, A. Stranges 4:20—10. Irving Langmuir the rainmaker: Doing science "for the fun of it." R. E. Rice


HIST

R. A. Egolf, Organizer R. E. Rice, Presiding

DIVISION OF THE HISTORY OF CHEMISTRY R. A. Egolf, Program Chair

8:00-10:00 6, 7 , 1 . See previous listings. 13,15. See subsequent listings.

TUESDAY MORNING Hyatt Regency Cunningham C General Papers


THURSDAY AFTERNOON Section A

U.S. Grant Crystal

•

Section C U.S. Grant Grand Ballroom D

Section Β U.S. Grant Crystal

SUNDAY MORNING Nuclear Chemistry: The First Hundred Years—Science, People, and Politics cosponsored with Division of Nuclear Chemistry & Technology (see page 142)

SUNDAY AFTERNOON Nuclear Chemistry: The First Hundred Years—Science, People, and Politics cosponsored with Division of Nuclear Chemistry & Technology (see page 143)

MONDAY MORNING Hyatt Regency Connaught

R. A. Egolf, Presiding 8:15—11. A new century, a new direction: A. E. Arbuzov and chemistry at Kazan. D. E. Lewis 8:45—12. Charles H. Herty: The 76th great contributor to the chemical enterprise. D. G. Hicks 9:15—13. Mendeleev's "absolute boiling point". R. E. Rice 9:45—14. Chemotherapy at the cinema: "Dr. Ehrlich's Magic Bullet". J. L. Parascandola 10:15—Intermission. 10:30—15. Dulong and Petit: A case of sci entific misconduct? C. J. Giunta 11:00—16. Joseph Priestly: Revolution and religious dissent in the rise of modern chemistry. J. C. Williams Jr. 11:30—17. Paint manufacture and use in co lonial America. H. S. Bender

General Papers

R. A. Egolf, Organizer C. J. Giunta, Presiding 8:15—Division Business Meeting. 8:45—1. Bog iron, pig iron, and cannonballs: A chemical postcard from history. J. M. Hayes, M. Talliaferro 9:15—2. Frederick Sanger: The ribonucleic acid years. J. S. Jeffers 9:45—3. Pilgrim's progress: Memories of the London Science Museum. J. T. Stock 10:15—Intermission.

~W Medicinal & Pharmaceutical •

Petroleum, Fuels & Related Chemistry The Committee on Meetings & Expositions requests that there be no smoking in meeting rooms or committee meetings

^» Presidential Series

120

C&EN / MARCH

5, 2 0 0 1


Section Β

I&EC

Section A

Magnetic Field-Enhanced Separations

J. A. Ritter, J. D. Navratil, Organizers, Presiding

DIVISION OF INDUSTRIAL & ENGINEERING CHEMISTRY K. L. Nash, Program Chair

OTHER SYMPOSIA OF INTEREST: Combinatorial Approaches to Polymer Design and Modeling (see Biotechnology Secretariat, Tue, page 70) Combinatorial Methods in Material Science, New or Adapted from Biotechnology (see Biotechnology Secretariat, Wed, page 70) New Science and Technology for Nuclear Waste Disposal and Environmental Remediation (see Division of Nuclear Chemistry & Technology, Tue, Wed, Thu, page 144) Nuclear Chemistry: The First Hundred Years—Science, People, and Politics (see Division of Nuclear Chemistry & Technology, Sun, Mon, page 142) Nanotechnology in Catalysis (see Catalysis & Surface Science Secretariat, Tue, Wed, Thu, page 71) Impact of Solid-State and Materials Chemistry on Current Technologies (see Division of Inorganic Chemistry, Tue, Wed, Thu, page 131) Inorganic Catalysts (see Division of Inorganic Chemistry, Tue, Wed, page 132) Inorganic Materials (see Division of Inorganic Chemistry, Tue, Wed, Thu, page 132) Membrane Technology in Petroleum, Petrochemical, and Gas Processing (see Division of Petroleum Chemistry, Thu, page 155) Sustainable Chemistry in the New Millennium (see Division of Environmental Chemistry, Sun, page 111)

9:00—Introductory Remarks. 9:05—6. High-gradient magnetic separation for purification of hydrocarbons. J. lannicelli, J. Pechin 9:30—7. Superconducting OGMS for the pretreatment of radioactive wastes. L. Nunez, M. D. Kaminsky, R. Doctor 9:55—8. High-gradient magnetic separation of organic and inorganic materials and mi croorganisms. S-l. Takeda, I. Tari, A. Nakahira, S. Nishijima, T. Watanabe 10:20—9. Magnetic hetero-flocculation of paramagnetic colloidal particles by a 3-D array of magnetite particles: A materials design issue. J. A. Ritter, A. D. Ebner, H. J. Ploehn 10:45—Intermission. 11:00—10. Capture and collection of ultralow plutonium oxide concentrations utiliz ing a high gradient magnetic separation technique. L. A. Worl, F. C. Prenger, D. J. Devlin, D. D. Hill, D. D. Padilla, R. M. Wingo 11:25—11. Concentration of dilute sludge wastes with HGMS. J. A. Ritter, A. D. Eb ner 11:50—12. Magnetic sorbent for soil remedi ation: A waste for waste treatment. F. Macasek, J. D. Navratil, S. Dulanska 12:15—Concluding Remarks.

Section A Westin Horton Plaza California C • Green (or Greener) Industrial Applications of Ionic Liquids Ionic Liquids in Context

R. D. Rogers, K. R. Seddon, Organizers R. D. Rogers, Presiding 8:00—1. Green chemistry and ionic liquids: Synergies and ironies. R. D. Rogers 8:45—2. Green syntheses in ionic liquids. K. R. Seddon, M. J. Earle 9:30—Intermission. 9:45—3. Neoteric solvents: A comparative analysis of their industrial potential. C. J. Adams 10:15—4. Ionic liquids as green solvents. W. M. Nelson 10:45—5. Comparison of the behavior of ion ic liquids with supported reagents. R. M. Pagni, G. W. Kabalka 11:15—Discussion.


Westin Horton Plaza California C

Westin Horton Plaza Presidio

C. A. Reed, S. R. Wilson, F. Wudl, Organizers

P. Wasserscheid, Presiding

F. Wudl, Presiding

1:30—23. Liquid-liquid equilibria in ionic liquid-organic solvent systems. Κ. Ν. Marsh, A. Deev, L. R. Weatherley, A. C-T. Wu 2:15—24. Characterization of solute-solvent properties in ionic liquids by gas chroma tography. W. M. Reichert, A. E. Visser, R. P. Swatloski, R. D. Rogers, M. Koel 2:45—25. Electrochemical behavior of actinide compounds electrochemically generat ed in ionic liquid media. W. R. Pitner, D. Sanders, A. E. Bradley, K. R. Seddon, R. C. Thied, J. E. Kingston, H. E. Simms 3:15—Intermission. 3:30—26. Ionic liquids as novel diluents for solvent extraction of metal salts by crown ethers. R. A. Bartsch, S. Chun, S. V. Dzyuba 4:00—27. Supported ionic liquid membrane reactors: Energy savings with reduced materials requirements. R. T. Carlin, J. Fuller 4:30—28. Supported ionic liquid membranes and facilitated ionic liquid membranes. P. Scovazzo, A. E. Visser, J. H. Davis Jr., R. D. Rogers, R. D. Noble, C. Koval 5:00—Discussion.

2:00—36. Covalent fullerene chemistry tar geting advanced materials. F. Diederich 2:30—37. Opening fullerenes and insertion of atoms and molecules. Y. Rubin, M. Sander, T. Jarrosson 3:00—38. Solid-state reactions of mono-, bis-, and some tris-adducts of [60]fullerene and anthracenes. B. Krautler, T. Muller, A. Duarte-Ruiz, K. Wurst 3:30—39. Covalently linked bisporphyrins as fullerene hosts. P. D. W. Boyd, L. Chaker, D. Sun, C. A. Reed 4:00—40. Cyclic oligomers of metalloporphyrins for supramolecular interaction with fullerenes. K. Tashiro, T. Nishioka, Y. Hirabayashi, T. Aida, Κ. Saigo, Κ. Yamaguchi, T. Akasaka, K. Komatsu 4 : 3 0 — 4 1 . Bisaddition of benzyne to [60]fullerene. Y. Nakamura, N. Takano, T. Nishimura, E. Yashima, M. Sato, T. Kudo, J. Nishimura

Section Β Westin Horton Plaza Plaza C

New Chemistry of Fullerenes and Nanotubes

C. A. Reed, S. R. Wilson, F. Wudl, R. C. Haddon, Organizers R. C. Haddon, Presiding 8:55—Introductory Remarks. 9:00—13. Roping and wrapping carbon nanotubes. R. E. Smalley, K. D. Ausman, R. Saini, I. Chiang, C. Huffman, M. O'Connell, P. Boul, L. Ericson, Y. Wang, E. Haroz, R. H. Hauge, E. W. Billups, D. T. Colbert, K. Smith 9:3rj—14. Ultrananocrystalline diamond films from fullerene precursors. D. M. Gruen 10:00—15. Inorganic chemistry of carbon nanotubes. M. L. H. Green, J. Sloan 10:30—Intermission. 11:00—16. Structural and magnetic proper ties of ammoniated alkali fullerides. K. Prassides 11:30—17. Fullerene derivatives for biologi cal and materials applications. A. Hirsch

Westin Horton Plaza Sierra Advances in Sensor Array Technologies

M. J. Doktycz, R. J. Kordal, Organizers, Presiding 8:3fJ—Introductory Remarks. 8:40—18. Extending microarray technology to study protein function. G. MacBeath 9:30—19. Lab-on-a-bead: Optically encoded microspheres for massively parallel analy sis of genes and proteins. S. Nie, M. Han, X. Gao 10:00—Intermission. 10:15—20. Nanoliter fluid handling and ar raying. M. J. Doktycz 10:45—21. Micromachined fluid ejector ar rays for biotechnological and biomedical applications. G. Perçin, B. T. Khuri-Yakub 11:15—22. Novel methods for printing DNA arrays and increasing assay sensitivity. U. Muller

Westin Horton Plaza Presidio New Chemistry of Fullerenes and Nanotubes

• Green (or Greener) Industrial Applications of Ionic Liquids Separations and Engineering

Section C

Section D SUNDAY MORNING

Section C

SUNDAY AFTERNOON

Westin Horton Plaza Plaza C


J. A. Ritter, J. D. Navratil, Presiding 2:00—Introductory Remarks. 2:05—29. Separation of Cs+and U0 2 2 + from HEDPA process wastes using selective magnetic particles. M. D. Kaminski, L. Nunez 2:30—30. Development of magnetizable par ticles with various polymer/copolymer backbones, functional surface groups, and magnetic properties for a wide range of applications and operative conditions. M. Pourfarzaneh, Q-H. Wan 2:55—31. High Tc bulk superconductorbased membrane-magnetic separation for water purification. N. Saho 3:20—32. Nanocomposite materials for As(V) removal by magnetically intensified adsorption. I. Peleanu, M. Zaharescu, I. Rau, M. Crisan, A. Jitianu, A. Meghea 3:45—Intermission. 4:00—33. Magnetite-silica composite as al ternative magnetic matrix in HGMS. J. A. Ritter, A. D. Ebner 4:25—34. Experimental evidence of dynamic scaling in diffusional coagulation and sed imentation of superparamagnetic particles. S. Relie, S. Β. Grant, C. Tsouris 4:50—35. Iron removal from water by using a magnetic field-enhanced filtration/sorption device. J. D. Navratil, A. Paulenova, D. Vollmer 5:15—Concluding Remarks.

Section D Westin Horton Plaza Sierra Natural and Synthetic Molecular Motors

P. S. Weiss, Organizer, Presiding 1:30—42. Mechanochemistry of ATP syn thase. G. Oster 2:10—43. Mechanism of force production by single kinesin motor proteins. K. Visscher 2:50—44. Interdomain coordination in the molecular motor kinesin. W. O. Hancock 3:30—Intermission. 3:40—45. Synthetic molecular motors. P. S. Weiss, J. M. Tour 4:10—46. Motor molecules. J. F. Stoddart, A. R. Pease 4:50—47. Biomolecular motors: Engines for nanofabricated systems. C. Montemagno • • A Emission Control through Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 70)

SUNDAY EVENING Section A Convention Center Sails Pavilion Poster Session 8:00-10:00 • Green (or Greener) Applications of Ionic Liquids

A. H. Bond, Presiding 48. Potential application of ionic liquids for olefin oligomerization. A. Ranwell, M. Tshamano 49. Comparative study of the chemical and physical properties of hydrophobic vs. hydrophilic ionic liquids. R. D. Rogers, A. E. Visser, W. M. Reichert, R. P. Swatloski 50. Characteristics of room-temperature ion ic liquids in various water/ethanol solu tions. R. P. Swatloski, A. E. Visser, W. M. Reichert, R. D. Rogers 51. Free-energy relationships and solvatochromic properties of aqueous solvent systems based on poly(ethylene glycol). J. G. Huddleston, H. D. Willauer, R. D. Rog ers 52. Solubilization and derivatization of chitin in room-temperature ionic liquids. W. M. Reichert, A. E. Visser, R. P. Swatloski, S. K. Spear, R. D. Rogers

• • A Emission Control through Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 70)


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53. Solubility of mono- and disaccharides in ionic liquids. S. K. Spear, G. A. Broker, M. A. Klingshim, L. Moens, M. A. Godshall, T. P. Johnson, R. D. Rogers 54. Supported ionic liquid membranes and facilitated ionic liquid membranes. P. Scovazzo, A. E. Visser, J. H. Davis Jr., R. D. Rogers, C. Koval, R. D. Noble 55. Ionic liquids: Clean solvents for organic synthesis. C. M. Gordon, C. A. Ohlin, C. Ritchie 56. Gas solubility and the effect on reactions in ionic liquids. D. W. Rooney, C. Hardacre, S. Kadare 57. Photoinduced energy-transfer and hydro gen abstraction reactions in ionic liquids. M. J. Muldoon, C. M. Gordon, A. J. McLean, I. R. Dunkin 58. Electrochemical and EXAFS investiga tions of uranium compounds in ionic liq uids. W. R. Pitner, A. E. Bradley, D. Sand ers, K. R. Seddon, M. Nieuwenhuyzen, R. C. Thied, J. E. Kingston 59. Plutonium chemistry in room-temperature ionic liquids. D. A. Costa, W. H. Smith, W. J. Oldham 60. Electrochemical and spectroscopic char acteristics of polycationic liquid ionic phos phates. S. I. Lall, D. Mancheno, R. Casiano, J. I. Cohen, R. Engel 61. Highly acidic ionic liquids for carbonylation of aromatic compounds. P. S. van Heerden, P. Wasserscheid, A. Willemse 62. Polycationic NAILs: Isolation of two types from hexafluorophosphoric acid reaction with polycationic halides. J. I. Cohen, S. Castro, V. Behaj, D. Mancheno, S. I. Lall, R. Engel 63. Polycationic salts: New anions with "strings" and "rings." S. Castro, V. Behaj, A. Rikin, S. I. Lall, J. I. Cohen, R. Engel 64. Organostannanes and ionic liquids: To ward green chemistry. A. McCluskey, D. J. Young 65. Structure-property relationships in hexafluorophosphate-containing room-temp erature ionic liquids. S. V. Dzyuba, R. A. Bartsch

10:30—165. Effectiveness of room-temp erature ionic liquids as solvents for freeradical addition polymerization. M. G. Benton, C. S. Brazel 11:00—166. Green synthesis: Aromatic nitra tion in ionic liquids. S. T. Handy, C. Egrie 11:30—167. Aluminum-catalyzed Diels-Alder reactions in ambient-temperature ionic liq uids. T. B. Gunnoe, B. Arrowod, M. Travis 12:00—Discussion.

Section Β Westin Horton Plaza Plaza C

Section Ε


J. A. Ritter, J. D. Navratil, Presiding 9:00—Introductory Remarks. 9:05—168. Magnetic colloid-mediated recov ery of cadmium ions from an aqueous so lution using a flow-through hybrid fieldgradient device. A. Ghebremeskel, A. Bose 9:30—169. Performance of a quadrupolefield flow sorter tested by separation of blood progenitor cells. M. Zborowski, L. R. Moore, K. E. McCloskey, M. Nakamura, P. S. Williams, J. J. Chalmers 9:55—170. Magnetic separation for remedia tion landfill water by electrolysis. T. Watanabe, D. Ito 10:20—171. Multistage mobility-based parti cle separations. P. Todd, N. A. Thomas, J. F. Doyle, R. P. Cooper, S. Sengupta 10:45—Intermission. 11:00—172. Magnetic field gradient assisted orientation magnetic separation for the ef ficient removal of pollutants by magnetotactic bacteria. A. S. Bahaj, P. A. B. James, F. D. Moeschler 11:25—173. Magnus separation of fine met al particles. N. Fraunholcz, P. C. Rem, E. A. Schokker 11:50—174. Separation of iron catalyst from Fisher-Tropsch condensate. J. lannicelli, J. Pechin 12:15—Concluding Remarks.

Section C

MONDAY MORNING Section A Westin Horton Plaza Plaza A-B

Westin Horton Plaza Presidio

S. R. Wilson, Presiding

J. H. Davis Jr., Presiding 8:00—161. Clean synthesis in ionic liquids. M. J. Earle 8:45—162. Ionic liquids: Novel solvents for synthesis of advanced materials. S. Dai, C. E. Barnes 9:15—163. Free-radical polymerization and copolymerization in room-temperature ion ic liquids. L. Bu, M. Li, H. Zhang, K. Hong, J. W. Mays 9:45—Intermission. 10:00—164. Controlled radical polymeriza tion in ionic liquids. D. M. Haddleton, A. J. Carmichael, D. A. Leigh

9:00—175. Chemical synthesis of carbon nanotubes and carbon nanoflasks. A. C. Gedanken 9:30—176. Optimization of annealing for highsurface-area single-wall carbon nanotube actuators. D. Chattopdhyay, R. Baughman, A. Zakhidov, F. Papadimitrakopoulos 10:00—177. Processing of HiPCO singlewalled carbon nanotubes for advanced materials. F. Wudl, D. Steiger, A. Boukai, M. Diehl, J. R. Heath, P. Smith 10:30—Intermission. 11:00—178. Adsorption and capillarity of ni trogen in inside channel of carbon nano tubes. Q. Yang, P. Hou, H. Cheng 11:30—179. Fullerenes and artificial photo synthesis. D. Gust, T. A. Moore, A. L. Moore, P. A. Liddell, D. Kuciauskas, G. Kodis, J. Bahr, L. de la Garza, J. S. Lindsey, T. E. Johnson, S. J. Weghorn

Section D Westin Horton Plaza California C Catalysis for Fine and Specialty Chemicals J. N. Armor,

A Catalysis

Organizer

•


G. Pez, Presiding

•


8:30—Introductory Remarks. 8:35—180. Award Address (E. V. Murphree Award in Industrial & Engineering Chemis try, sponsored by ExxonMobil Research & Engineering Co. and ExxonMobil Chemi cal Co.). Catalysts for the synthesis of fine and specialty chemicals. J. N. Armor 9:05—181. New Bronsted and Lewis acid catalysts and their use in the synthesis of fine and intermediate chemicals. W. Holderich 9:45—Intermission.

M Materials *W Medicinal & Pharmaceutical •


^

Presidential Series

122

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5, 2 0 0 1

Westin Horton Plaza Sierra Process Analytical Chemistry in Support of Green Chemistry Cosponsored with Division of Environmental Chemistry

2:30—198. Structural studies of fullerenes with metals inside and within the fullerene framework. A. L. Balch 3:00—199. Radical anions of N@C60 and N@C79. K-P. Dinse, B. Gôdde, P. Jakes, M. Waiblinger, A. Weidinger, A. Hirsch 3:30—200. Unusual redox chemistry of small HOMO-LUMO gap and metal-containing fullerenes. J. M. Alford, M. D. Diener, R. D. Bolskar 4:00—201. Laser-induced aza-heterofullerene formation. T. Drewello, T. Brown, R. Whitby, M. A. Trikoupis, J. K. Terlouw, P. R. Birkett 4:30—202. Chemical derivatization of fullerenes within astrophysical environments. D. K. Bohme, S. Pétrie, V. Blagojevic

Section C Westin Horton Plaza California C

I. T. Horvath, J. Wang, Organizers

Catalysis for Fine and Specialty Chemicals

I. T. Horvath, Presiding

W. Hôlderich, Presiding

9:00—185. Integrated approach to charac terization of chemical processes using in situ kinetic probes. C. LeBlond, J. Wang, Y.Sun 9:30—186. High-pressure NMR and IR tech niques applied in the development of green chemistry processes. C. P. Mehnert, R. A. Cook, P. de Rege, J. J. Chludzinski 10:00—187. On-line chemical sensors for electroless gold plating. O. Sadik, H. Xu 10:30—188. Submersible voltammetric probes for real-time continuous trace ele ment monitoring in aquatic systems. M-L. Tercier-Waeber, J. Buffle, M. KoudelkaHep, F. Graziottin 11:00—189. On-chip environmental assays. J. Wang, M. Chatrathi

2:00—203. Potential of transition-metal/zeolite combinations as selective oxidation catalysts. W. M. H. Sachtler, Z. Gao, Q. Sun 2:40—204. Novel recyclable catalysts for arène acylation. D. C. Braddock, D. Chadwick, A. G. M. Barrett 3:20—205. Catalysis: New frontiers in nutraceuticals. M. Eggersdorfer 4:00—206. New routes for the synthesis and hydrogénation of indole and alkylindoles. A. Vaccari, M. Campanati, O. Piccolo

• • A Emission Control through Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 70)

Section D Westin Horton Plaza Plaza C Process Analytical Chemistry in Support of Green Chemistry Cosponsored with Division of Environmental Chemistry

J. Wang, Presiding


New Chemistry of Fullerenes and Nanotubes

• Green (or Greener) Industrial Applications of Ionic Liquids Green Synthesis

9:5fj—182. Liquid-phase oxidation of cyclohexanone catalyzed by functional groups on synthetic carbons. M. Besson, P. Gallezot, A. Pigamo, A. Blackburn, O. Kozynchenko, S. Tennison 10:30—183. Selective isomerization of 2,5dihydrofuran to 2,3-dihydrofuran using CO-modified, supported Pd catalysts. J. R. Monnier, J. W. Medlin 11:10—184. Selective oxidation of alcohols to carbonyls. K. Griffin, S. Bennett, P. Johnston

Westin Horton Plaza Plaza A-B • Green (or Greener) Industrial Applications of Ionic Liquids Nuclear and Electrochemistry

W. Tumas, Presiding 1:30—190. Studies of the radiation stability of ionic liquids. R. C. Thied, A. Haile, B. Lewin, W. R. Pitner, A. E. Bradley, D. Sanders, D. Rooney, K. R. Seddon, H. E. Sims, G. Baston, G. W. A. Newton, M. J. F. Healy, I. Hamblett, D. Allen, B. Hodg son, T. Gorman 2:15—191. Superoxide electrochemistry in ionic liquids. M. L. Leonard, M. C. Kittle, M. A. Matthews, J. W. Weidner 2:45—192. Applications of room-temperature ionic liquids: Actinide separations. R. D. Rogers, A. E. Visser, R. P. Swatloski, S. T. Griffin, W. M. Reichert 3:15—Intermission. 3:30—193. Actinide chemistry in roomtemperature ionic liquids. W. J. Oldham Jr., D. A. Costa, B. L. Scott, W. H. Smith, K. D. Abney 4:00—194. Ionic liquids: From green chemis try to ore refining. A. McCluskey, G. A. Lawrance, M. Owen, I. C. Hamilton 4:30—195. Liquid ionic phosphates: Electro chemical and spectroscopic properties. S. I. Lall, D. Mancheno, R. Casiano, J. I. Co hen, R. Engel 5:00—196. Potential applications of ionic liq uids in aluminum industries. B. Wu, R. G. Reddy, R. D. Rogers 5:30—Discussion.

1:30—207. Composite nanomaterials for construction of electrochemical sensors. Y. Lin, L. Liang, J. Liu, C. Timchalk, K. Thrall 2:00—208. Low-volume low-waste screening of organophosphorus pesticides using enzyme-based assays. K. R. Rogers, N. N. Mishra, S. H. Chough 2:30—209. Practical aspects of process analytical chemistry. L. A. Melton 3:00—210. On theory and practice of chromium oxide tanning process. R. Abdelmalek, C. Najib, D. Zahia, B. Omar 3:30—211. Process chromatography and green chemistry. R. E. Synovec 4:00—212. In situ mechanistic studies of Friedel-Crafts acetylation in ionic liquids. S. Csihony, I. T. Horvath

Section Ε Westin Horton Plaza Plaza Foyer New Chemistry of Fullerenes and Nanotubes

C. A. Reed, Presiding 5:00-7:00 213. Incorporation of amphiphilic cyclic fullerene bisadducts in ordered films. J-F. Nierengarten, J-L. Gallani, D. Felder, M. D. P. Carreon, D. Guillon 214. Jahn-Teller effects in endohedral fullerenes, fullerides, and nanotubes. D. P. Clougherty 215. Carbon nano-anions: A missing link. E. Osawa, H. Gotoh, M. Ozawa

Section Β Westin Horton Plaza Presidio New Chemistry of Fullerenes and Nanotubes

C. A. Reed, Presiding 2:00—197. Trimetallic nitride clusters in fullerene nanospheres: Properties and chemical reactivity. H. C. Dorn, E. lezzi, S. Stevenson



216. Ubiquitous C12oO impurity in C60: The EPR evidence for thermally accessible excited states in C 60 2_ and C 60 3_ fullerides is artifactual. C. A. Reed, P. Paul, P. D. W. Boyd 217. New route to bulk heterofullerenes of the form C59E. C. A. Reed, A. M. Clark 218. Porphyrin-fullerene host-guest chemistry. C. A. Reed, D. Sun, F. S. Tham, P. D. W. Boyd, L. Chaker, M. Burgess 219. Stable cations of fullerenes: Protonation and oxidation of C 60 and C70. C. A. Reed, K-C. Kim, P. Paul 220. Electrochemical carbon nanotube fieldeffect transistor. C. Schoenenberger, M. Krueger, M. Buitelaar, T. Nussbaumer, L. Forro 221. Bond formation in titanium-fulleride compounds studied through X-ray emission spectroscopy. Y. Luo 222. Structural features of endohedral metallofullerenes: A theoretical study. K. Kobayashi, S. Nagase 223. Supramolecular organization of fullerenes by hydrogen bonding. J. C. Hummelen, M. T. Rispens, L. Sanchez, J. Knol 224. Properties of carbon nanotubes produced on MgO-supported Co-based catalysts. I. Willems, Z. Konya, C. Pirlot, N. Pierard, G. Bister, A. Fonseca, J. B. Nagy 225. Thermal degradation of ragged singlewall carbon nanotubes produced by polymer-assisted ultrasonication. A. Koshio, M. Yudasaka, S. lijima 226. Molecular motors: Design and molecular dynamics of a carbon nanotube steam engine. S. R. Wilson, S. Rywkin, A. N. Kirschner, J. Mendia 227. Synthetic organic approach to open the C 60 core: A surgical approach to endohedral metallofullerenes. M. Sander, T. Jarrosson, Y. Rubin 228. Synthesis and X-ray characterization of stable derivatives of C62: The first nonclassical fullerene incorporating a fourmembered ring. R. B. Amador, W. Qian, T. Jarrosson, M. Sander, Y. Rubin 229. New organo-C60 fullerene derivatives from dianion C602~. J. Cousseau, P. Hudhomme, E. Allard, N. Gallego-Planas, F. Cheng 230. Recent developments in the electrochemistry of Pd/C60 and lr/C60 films. A. de Bettencourt-Dias, A. L. Balch, K. Winkler, M. Plonska 231. Fullerene formation from polyarenes. Y. Vasil'ev, M. M. Boorum, L. T. Scott, T. Drewello 232. C 6( f : On some disputable questions of formation and decay. Y. Vasil'ev, S. Nasibullaev, R. Abzalimov, A. Pogulay, R. Tuktarov, T. Drewello 233. Positive and negative ions of hydrogenated fullerenes. Y. Vasil'ev, S. Nasibullaev, R. Abzalimov, A. Lobach, D. Wallis, I. Bashkin, T. Drewello 234. Biosensor for fullerenes and carbon nanotubes. A. N. Kirschner, C. F. Richardson, S. R. Wilson 235. Simulation of new zipping mechanism of SWNT nucleation. S. V. Rotkin, I. Zharov 236. Chirality-dependent SWNT formation energy. S. V. Rotkin 237. Synthesis and hydrogénation behavior of single-walled carbon nanotubes. A. De Monte, U. Montaretto 238. Withdrawn. 239. Self-assembly nanostructrue materials based on [60]fullerene. D. Zhu, Y. Li, C. Du, S. Wang, Ζ. Shi, Ζ. Guo, R. Chen 240. Electron-transfer processes between fullerenes and oligothiphenes. O. Ito, T. Makinoshima, M. Fujitsuka, Y. Aso, T. Otsubo 241. Ferromagnetism in the fullerene-based salt Eu 9 C 70 . S. Margadonna, K. Prassides, T. Takenobu, Y. Iwasa 242. Preparation and immunogenic activity of fullerene conjugates. S. Andreev, A. Babakhin, A. Petrukhina, V. Romanova, I. Andreev 243. Models of carbon nanotube reactivity. R. L. Jaffe, B. Jarvis 244. Quantum chemistry of chemically modi fied nanotubes. P. N. D'yachkov, D. V. Kirin, N. N. Breslavskaya 245. Complexes of C 6 0 and C 7 0 with N-containing donors, including porphyrins. R. N. Lyubovskaya, D. V. Konarev, E. I. Yudanova


MONDAY EVENING Section F Convention Center Sails Pavilion

Sci-Mix

K. Nash, Presiding 8:00-10:00 General Posters 66. Join the Separation Science and Tech nology Subdivision of the ACS l&EC Divi sion! A. H. Bond, G. D. Jarvinen 67. Aggregation of the Nd complexes of HDEHP, Cyanex 302, and Cyanex 301 in toluene. M. P. Jensen, R. Chiarizia, V. Ur ban 68. Analysis of radiolytic decomposition prod ucts of calixarene solvent systems by isotopic dilution GC/MS with selected ion monitoring. S. L. Crump, T. L. White, R. A. Peterson, M. P. Maskarinec, J. E. Caton 69. Extended flowsheet testing of a cobalt dicarbollide/polyethylene glycol solvent extraction process for the separation of cesium and strontium from acidic tank waste. J. D. Law, T. A. Todd, R. S. Herbst 70. Organized molecular assemblies for se lective metal ion separations. S. Muralidharan, H. Cao, J. Yang, E. Hofman, H. Ma 71. Fixed-site carrier membranes for selec tive separation of metal ions. D. K. Ford, D. S. Ehler, N. C. Schroeder, T. M. McCleskey, G. D. Jarvinen, N. N. Sauer, J. S. Young 72. Withdrawn. 73. Electronically controlled electrofocusing in native buffers. C. F. Ivory, Z. Huang 74. Heated solutions for improved carbon decolorization processes. T. C. Williams, P. Rahn 75. Reliable scaling of carbon decolorization processes from milligram to multiple-gram processes. T. C. Williams, P. Rahn 76. New strategy to expedite obtaining clini cal trial quantities of new compounds. T. C. Williams, P. Rahn 77. Analysis of multistage binary distillation design with W/D as input parameter. K. R. Sharma 78. Analysis of multistage binary distillation design with bottoms composition as input parameter. K. R. Sharma 79. Graphical iteration for separation prob lems given Np as input parameter. K. R. Sharma 80. Overall efficiency in multistage binary dis tillation design. K. R. Sharma 81. Electrolytic decontamination of highly en riched uranium at Los Alamos. B. S. Schake, M. E. Griego, D. A. Costa, D. Wedman 82. Technetium chemistry in simulated alka line nuclear waste. E. Bauer, J. G. Ber nard, D. M. Liepman, D. E. Berning, R. M. Chamberlin, J. B. Arterburn, A. Gonzales, M. Pannala 83. Removal of textile bleaching agents with immobilized catalases. S. Costa, A. Paar, M. Gudelj, G. Gubitz, A. Cavaco-Paulo 84. Tuning and separation of chemical reac tions with near-critical water. J. Lu, J. S. Brown III, C. L. Liotta, C. A. Eckert 85. Reactivity of hydroxyl radicals in super critical water: A pulse radiolysis study. S. N. V. K. Aki, J. Feng, J. F. Brennecke, J. E. Chateauneuf 86. Phase equilibria of chelating agents and metal chelates in high-pressure carbon di oxide for in situ extraction. A. M. Scurto, C. M. Lubbers, J. F. Brennecke 87. Electrochemical response of polymer films in contact with supercritical carbon dioxide. D. Lee, J. C. Hutchison, J. M. DeSimone, R. W. Murray 88. Applications of synchrotron IR microspectroscopy to the study of finger prints. T. J. Wilkinson, D. L. Perry, M. C. Martin, W. R. McKinney 89. Synchrotron IR microspectroscopy of inkpaper material interactions. T. J. Wilkin son, D. L. Perry, M. C. Martin, W. R. Mc Kinney, A. A. Cantu 90. Elemental screening of combinatorial chemical libraries using micro X-ray fluo rescence. G. J. Havrilla, G. Mann, B. P. Warner, C. A. Wells

91. Laser-induced breakdown spectroscopy: A novel tool for chemical composition characterization of nanoparticles. A. W. Miziolek, R. T. Wainner, K. L. McNesby 92. Engineering insight for mixing through colorimetric diagnostics. L. A. Melton 93. Analyzing chemical and physical proper ties of granite-dust-reinforced low-density polyethylene. J. R. Giuliani, T. S. Flory 94. Tailored nanostructured materials: New opportunities. A. Singhal, G. Skandan, G. Amatucci, H. Eifert, D. Kupp 95. Molecular imprinting in nanometer-scale particles. D. A. Spivak, J. N. Campbell 96. Withdrawn. 97. Design of a fluidized bed reactor with mi crowave heating system for preparing high-purity polycrystalline silicon. K. R. Sharma 98. Self-assembly of mesoscopically ordered chromatic polydiacetylene/silica nanocomposites using polymerizable surfactants as structure-directing monomers. Y. Yang, Y. Lu, M. Lu, J. Huang, R. Haddad, H. Fan, D. Doshi, G. Lopez, A. R. Burns, D. Y. Sasaki, J. A. Shelnutt, C. J. Brinker 99. High-performance fiber-reinforced com posites with polymer-silicate nanocomposite matrix. D. Curliss, C. Chen, B. P. Rice 100. Metal ion nanophases in vitreous silica: Synthesis and properties. J. V. Beitz, C. W. Williams, K-S. Hong, G. K. Liu, P. Thiyagarajan, L. Fan, C-K. Loong 101. Formation of aluminosilicate nanoparti cles by mineralization of alkoxides onto multilayer polymer film templates. P. J. Stenhouse, C. Sung 102. Lithium ion conduction in anhydrous gramicidin molecules oriented in nanoporous inorganic membranes. S. J. Kallidukil, D. C. Teeters 103. Novel palladium membranes by electroless plating deposition. G. Marigliano, A. Gordano, G. Barbieri, E. Drioli 104. Self-assembly of [60]fullerene-substituted oligopyridines on Au nanoparticle. H. Ma, C. Du, Y. Li, D. Zhu 105. Self-assembled film of a new C6o deriv ative covalently linked to nanocrystalline Ti0 2 . Y. Li, Z. Shi, D. Zhu, C. Du 106. Studies of heterofullerenes obtained by laser ablation of electrochemically deposit ed films. A. Hayashi, A. de BettencourtDias, K. Winkler, A. L. Balch 107. Layered PZT and PLZT thin films. T. Myers, S. Bose, A. Bandyopadhyay 108. Rational synthesis of inorganic nanowires. Y. Wu, M. Huang, P. Yang 109. Sucrose-mediated synthesis of metal oxide nanopowders. R. Das, A. Bandyo padhyay, S. Bose 110. Convenient preparation of small (1.5-nm core), functionalized phosphine- and thiolstabilized gold nanoparticles: Direct syn thesis and ligand-exchange reactions. M. G. Warner, S. M. Reed, E. W. Foster, J. E. Hutchison 111. Electron transport in low-dimensional metal nanoparticle arrays chemically as sembled on biopolymer scaffolds. J. E. Hutchison, L. I. Clarke, C. A. Berven, J. Mooster, M. N. Wyboume 112. Millimeter-wave-driven polyol process ing of nanocrystalline metals. L. K. Kurihara, D. Lewis III, M. A. Imam, A. Jung, A. W. Fliflet 113. Ceramic composite barrel technology in small weaponry. K. R. Sharma 114. Nanomaterials for the detection of chemical agents in water. A. L. Jenkins, R. Yin, J. L. Jensen, H. D. Durst 115. Decontamination of chemical warfare agents with nanosize metal oxides. G. W. Wagner, L. R. Procell, O. B. Koper, K. J. Klabunde 116. Room-temperature mineralization of chemical warfare agents using hydrogen peroxide: Pd/C. L. R. Procell, G. W. Wag ner, Y-C. Yang

117. Performance of several HTPB-based hybrid rocket fuel formulations containing nanophase energetic particles. G. A. Risha, A. Ulas, E. Boyer, S. Kumar, Κ. Κ. Kuo 118. Prediction of two-photon absorption us ing time-dependent density functional the ory. P. N. Day, K. A. Nguyen, R. Pachter 119. Facile synthesis of nanocrystalline semiconductor quantum dots. M. S. Wong, G. D. Stucky 120. Fluorescence quenching of watersoluble conjugated oligomers for biosen sor applications. M. Stork, B. S. Gaylord, D. Wang, A. J. Heeger, G. C. Bazan 121. Glass-forming binaphthyl chromophores. J. C. Ostrowski, R. A. Hudack Jr., M. R. Robinson, S. Wang, G. C. Bazan 122. Electro-active oligothiophene deriva tives for ultrathin film assemblies: Synthe sis, electrochemistry, and deposition. J. Locklin, C. Xia, T. Fulghum, R. Advincula 123. In situ reduction of metal ions photosen sitized by tin protoporphyrin in selfassembled silica mesoporous thin films. Y. Yang, W. Gong, A. Abdelous, W. Lutze, J. A. Shelnutt, C. J. Brinker 124. Detection of new emissive conjugated polymers by combinatorial approach. G. Jegou, O. Lavastre, P. H. Dixneuf 125. Photoalignment characteristics for the liquid-crystal display using the chalconebased polyimide. D-M. Shin, D. Song 126. Charge transfer of new ferrocenebearing polymers: Optical and electro chemical probing. L. Tan, M. D. Curtis 127. Methane combustion over lanthanoid perovskite catalysts. H-S. Hahm, S-B. Kim, J-Y. Park, H-S. Park, T-O. Kim 128. Partial oxidation of methane to synthe sis gas over supported Ni catalysts. S-B. Kim, W-J. Choi, H-S. Park, H-S. Hahm 129. High-throughput screening of oxidation catalysts with gas sensors. Y. Yamada, A. Ueda, T. Kobayashi 130. Phase-transfer-catalyzed oxidations us ing a membrane reactor. G. Grigoropoulou, J. H. Clark, K. Scott, D. W. Hall 131. Technological progress and approaches to combinatorial testing of heterogeneous catalysts. M. T. Paffett, D. Dogruel 132. Surface grafting of polyolefins via ringopening metathesis polymerization. S. Smolak, F. Stelzer 133. Oxidative stability of hydrocarbon and ester-based lubricants in thin film. L. R. Rudnick, M. Frisch 134. Rheological characteristics of emulsified vacuum residue oil system. S. T. Lim, D. H. Kwon, H. J. Choi, J-H. Kim, C. A. Kim, M. S. Jhon 135. Thin-film measurements on lubricant base oils: A comparative evaluation of vol atility. L. R. Rudnick, M. Frisch, E. Tersine 136. New bio-based thermosetting resins from soybean oil for SMC. J. Lu, R. P. Wool 137. Polystyrene and poly(a-methylstyrene): A comparison of degradation behavior in solution with and without free-radical initi ator. W. J. Sterling, B. J. McCoy 138. Reduction of free formaldehyde release from DMDMH-treated cellulosic materials. X. Xu, G. Sun 139. Activation process for antibacterial fab rics. X. Xu, G. Sun 140. Biospinning: Control of inorganic ion. J. Magoshi, J. Magoshi, T. Tanaka, S-l. Inoue, M. Kobayashi, H. Tsuda, M. A. Beck er, H. Zhang, S. Nakamura 141. Study of halogenation and chlorine transfer of halamine structures in durable and regenerable antimacrobial textiles. L. Qian, G. Sun 142. Water-soluble PPV oligomers for deter mining structure-property relationships in biosensor technology. B. S. Gaylord, S. Wang, M. Stork, D. Wang, A. J. Heeger, G. C. Bazan 143. Environmentally benign synthesis: An approach to puraquinonic acid. P. Choudhury, G. A. Kraus 144. CPC microreaction technology: Innova tive tools to accelerate R&D processes in the life science industry. K. Golbig, S. Taghavi-Moghadam, A. Kleemann

Photographing of slides and/or taping of talks is prohibited unless permission is obtained from individual presenters C&EN/MARCH5.2001

123

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Joe Breen Undergraduate Poster Session in Green Chemistry

J. C. Warner, M. Kirchhoff, Organizers 145. Adsorption and reactions of methanol on MgO(100). M. C. Foster, J. L. Rudberg 146. Withdrawn. 147. Control of physical properties by using noncovalent interactions. M. Jeganathan Sr., J. C. Warner 148. Detection of environmental contami nants in the Yakima River Basin. J . M. Key, D. P. Cox, M. S. Lai, K. M. Obradovich, M. R. Zahn, J. M. Arlington 149. Environmentally benign processing of thymine-based plastics. J. C. Warner, J. J. Norman 150. Inhibitors-chelated sol-gel coatings for metal finishing. Κ. Ν. Tableriou, Κ. Μ. Penn, M. L Mellott, C. A. Sizemore, C. T. Lin 151. Ionic liquid interactions with clay miner als. J. H. Davis Jr., R. A. Mayton, E. D. Bates, P. M. Davis 152. Ionic liquids as sequestering agents for C0 2 . J. H. Davis Jr., E. D. Bates, R. A. Mayton 153. Ionic liquids in crystal engineering: Es tablishing structure-activity relationships and the thermodynamics of crystallization by differential scanning calorimetry. J. C. Warner, A. S. Cannon 154. Microscopic study of the thermal stabili ty of metal oxide surfaces. M. C. Foster, S-Y. Yang 155. Models for soil reclamation: Metalsalicylate complexes and their thermal de composition to metal oxides. C. M. Maynard, C. M. Hockensmith 156. Molecularly engineering homogeneous catalysts. R. Hughes, P. L. Osburn Osburn, D. Bergbreiter 157. Topographical analysis of metal oxide surfaces with scanning tunneling micros copy. M. C. Foster, T. J. Doyle 158. Water thin films on magnesium oxide powder. M. C. Foster, S. R. Yazdi 159. Water thin films on MgO(100). M. C. Foster, M. M. Furse 160. Yield optimization of photochemical dimerization reactions toward the synthe sis of natural products. J. C. Warner, J. E. Pyers IV • • A Emission Control through Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)

TUESDAY MORNING Section A Westin Horton Plaza Plaza A-B • Green (or Greener) Industrial Applications of Ionic Liquids Ionic Liquid Systems

J. F. Brennecke, Presiding 8:00—246. Ionic liquids in perspective: The past with an eye toward the industrial fu ture. J. S. Wilkes 8:45—247. Highly acidic, nonchloroaluminate ionic liquids. P. Wasserscheid, M. Sesing 9:15—248. New ionic liquids: Alkyl-substituted pyrylium salts and their conversion into pyridinium salts. A. T. Balaban, M. J. Lesko, W. A. Seitz 9:45—Intermission.

10:00—249. Imidazolium melts with carborane anions: Why are ionic liquids liquid? C. A. Reed, A. S. Larsen 10:30—250. Significance of cations in ionic liquids chemistry. Κ. Ε. Johnson, L. Xiao, G. Driver 11:00—251. Working salts: Syntheses and uses of ionic liquids containing functionalized ions. J. H. Davis Jr. 11:30—Discussion.

Section Β Westin Horton Plaza California C Catalysis for Fine and Specialty Chemicals

J. R. Monnier, Presiding 8:30—252. Catalysis for fine chemicals: An industrial perspective. P. Métivier, P. Marion 9:10—253. Recent progress in the aziridination of styrene: Influence of reaction parameters on ee and yield. G. J. Hutchings, S. Taylor, P. McMorn, F. E. Hancock 9:40—254. Hydrogénation of 1-phenyl-1,2propanedione: Activity, regioselectivity, and enantioselectivity. P. Maki-Arvela, E. Toukoniitty, A. Kalantar Neyestanaki, N. Kumar, P. J. Kooyman, T. Salmi, D. Y. Murzin 10:10—Intermission. 10:20—255. New method for the local synthesis of hydrogen peroxide. G. J. Hutchings, P. Landon, P. Collier 10:50—256. Novel solid-supported organotin hydride for fine chemical catalysis. S. C. Tsang, Q. J. Fu 11:20—257. Efficient cyclization of citronellal to isopulegol catalyzed by phosphated (hydrous) zirconia solid acids. S. Liu, G. K. Chuah

Section C Westin Horton Plaza Presidio Innovative Approaches in Encouraging Women in the Chemical Sciences: Award Symposium Honoring Christina Bodurow Cosponsored with Women Chemists Committee

8:15—Introductory Remarks. 8:30—258. Preparing for the future: A traveler's guide for the road ahead. F. K. WoodBlack 9:00—259. Strategies for advancing women in chemistry in the new millennium. M. Jacobs 9:30—260. Some education approaches for filling the science pipeline with women. L. J. Powell 10:00—261. We need more talented women faculty in colleges and universities. R. C. D. Breslow 10:30—262. Kanawha Valley master's program: A unique program that allowed technicians to balance parenting duties, work full time, and obtain a master's degree in chemistry. M. F. Carrier

Section D Westin Horton Plaza Plaza C

A. W. Miziolek, Organizer A. A. Morrish, Presiding

•


8:00—Introductory Remarks. 8:05—263. Overview of defense programs in nanoscience. J. S. Murday 8:45—264. Air Force research in nanoenergetics: Potential advantages and challenges. W. H. Wilson, M. P. Kramer, R. W. Armstrong


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Presidential Series

124

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M A R C H 5, 2 0 0 1

8:30—Introductory Remarks. 8:35—272. Screening of combinatorial librar ies for chiral selectors. T. Li 9:15—273. Molecular engineering of highly enantioselective polymeric materials for molecular recognition in high-performance liquid chromatography and capillary electrochromatography. F. Svec, V. Lu, F. Ling, M. Xu, J. Fréchet 9:55—Intermission. 10:15—274. Effective high-throughput analysis and purification of combinatorial libraries. R. God, H. Gumm, P. K. Dutta 10:55—275. Synthesis of well-defined porous column packings using supercritical C 0 2 as the porogenic solvent. A. I. Cooper, A. K. Hebb

• Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)


•

J. W. King, Organizer, Presiding

F. K. Wood-Black, Presiding

A Catalysis


Optimization of Separations Using Combinatorial Technology

Technical Intelligence cosponsored with Division of Chemical Information (see page 98)

•

^

Section Ε Westin Horton Plaza Sierra

D. A. Brooks, F. K. Wood-Black, Organizers

Defense Applications of Nanomaterials Nanoenergetics

Ν Materials

9:15—265. Los Alamos nanoenergetic metastable intermolecular composite (super thermite) program. W. C. Danen, B. S. Jorgensen, J. R. Busse, M. J. Ferris, B. L. Smith 9:45—266. Understanding and controlling the formation and properties of vaporgrown nanoparticles. M. R. Zachariah 10:15—267. Direct preparation of nanostructured energetic materials using sol-gel methods. A. E. Gash, J. H. Satcher Jr., J. F. Poco, R. L. Simpson 10:45—268. Unique features of nanosized energetic materials and challenges in their further development for defense applications. K. K. Kuo, R. Yetter 11:15—269. Nanocomposite modification of energetic materials. P. J. Kaste, F. L. Beyer 11:30—270. Ultrafine aluminum production at NSWC-IHD. T. E. Devendorf, M. M. Bichay, P. S. Carpenter 11:45—271. Utilization of nanosized aluminum particles in RP-1 gel propellants for spray combustion in a rocket engine. J. W. Mordosky, K. K. Kuo, B. Zhang, F. Tepper, L. Kaledin

Combinatorial Chemistry for Drug Discovery in the New Century: Informatics, Synthesis, and Analysis cosponsored with Biotechnology Secretariat (see page 69)

TUESDAY AFTERNOON Section A Westin Horton Plaza California C • Green (or Greener) Industrial Applications of Ionic Liquids Properties of Ionic Liquids

4:00—280. Solution thermodynamics of imidazolium-based ionic liquids and water. J. L. Anthony, E. J. Maginn, J. F. Brennecke 4:30—281. Research opportunities derived from the Molten Salt Database project. M. Gaune-Escard, J. Fuller 5:00—282. Intellectual property rights with special reference to ionic liquids. O. J. Safriel, A. B. McEwen, V. R. Koch 5:30—Discussion.

Section Β Westin Horton Plaza Plaza A-B Innovative Approaches in Encouraging Women in the Chemical Sciences: Award Symposium Honoring Christina Bodurow Cosponsored with Women Chemists Committee D. A. Brooks,

Presiding

2:00—283. She said/he said: Gender differ ences in work and communication styles. P. Helm 3:00—284. Chris Bodurow and the success of the Eli Lilly/WCC Travel Award Pro gram. D. A. Brooks 3:30—285. Coaching for advancement: Se nior women in academe strive for recogni tion. M. A. Cavanaugh 4:00—286. Award Address (ACS Award for Encouraging Women into Careers in the Chemical Sciences, sponsored by the Ca mille & Henry Dreyfuss Foundation). Triple-A's of achieving breakthrough inno vations in encouraging women in the chemical sciences. C. C. Bodurow Erwin

Section C Westin Horton Plaza Plaza C Defense Applications of Nanomaterials Nanocomposites

C. Lee, Presiding 1:30—287. New multifunctional materials us ing versatile hybrid (inorganic/organic) POSS nanotechnology. S. H. Phillips, R. L. Blanski, T. S. Haddad, S. Steve, B. Viers, F. J. Feher, A. Lee, R. Gonzalez 2:00—288. Benefits of nanostructured fab rics: Property enhancements for military applications. H. Schreuder-Gibson, P. Gibson, K. Senecal, M. Sennett, L. Samuelson, J. Walker, W. Yeomans, D. Ziegler, Z. Huang, D. Wang, S. Yang, J. Wen, Z. Ren, C. Hill, E. Boring, K. Klabunde, T. C. Cheng, R. Yin 2:30—289. Experiments in dispersing and surface treatment of nanoparticles. R. E. Partch, H. Wang, D. Forryan, E. Powell 3:00—290. Nanostructured materials for aerospace: Opportunities and issues. R. A. Vaia 3:30—291. Recent advances in characteriza tion and processing of flame-retardant polymer nanocomposites. J. W. Gilman, D. VanderHart, A. Asano, T. E. Sutto, W. Awad, P. C. Trulove, H. DeLong, R. D. Davis 4:00—292. Block copolymer-layered-silicate nanocomposites. Y-H. Ha, E. L. Thomas

R. D. Rogers, Presiding 1:30—276. Gas solubility in ionic liquids. J. L. Anthony, Z. Gu, L. A. Blanchard, E. J. Maginn, J. F. Brennecke 2:15—277. Influence of chloride, water, and organic solvents on the physical properties of ionic liquids. B. J. McAuley, K. R. Seddon, A. Stark, M-J. Torres 2:45—278. Free-energy relationships and solvatochromic properties of room-temperature ionic liquids based on methylimmidazolium cations. J. G. Huddleston, G. A. Broker, H. D. Willauer, A. E. Visser, W. M. Reichert, R. D. Rogers 3:15—Intermission. 3:30—279. Viscosity and density of 1-alkyl-3methylimidazolium ionic Iquids. N. A. Hamill, K. R. Seddon, A. Stark, M-J. Torres



4:30—293. Atomistic simulation of the me chanical properties of polymers in nano meter-size galleries. S. A. Fossey 4:45—294. Processing of macroscopic fiber composites with nanoparticle-dispersed resin matrices. B. L. Lee, G. C. Castren, E. J. Takacs, A. Roslund, T. J. Rude 5:00—295. Nanocomposite materials by surface-initiated polymerization on silicate, clay, and Si-gel surfaces: Preparation of high-performance barrier materials. R. C. Advincula, Q. Zhou, J. Mays 5:15—296. Nanoscale composite materials for Li-ion battery anodes. D. L. Foster, J. Wolfenstine, J. R. Read, W. K. Behl

Section D Westin Horton Plaza Presidio Optimization of Separations Using Combinatorial Technology

J. W. King, Presiding 2:00—297. Industrial study of ion-exchange resin using combinatorial approach. X. Kou 2:40—298. Fully automated CHIRAL method development stations (HPLC/SFC) and re lated pharmaceutical applications. G. W. Yanik 3:20—Intermission. 3:40—299. Rapid discovery of natural thera peutics using superfluids CXF technology. T. P. Castor 4:20—300. Sortent selection for process su percritical fluid chromatography using combinatorial methodology. J. W. King, S. L. Taylor

Section Ε Westin Horton Plaza Sierra • Separations in Environmental Analysis Overview of Separations in Environmental Analysis Cosponsored with Division of Environmental Chemistry

M. J. M. Wells, D. D. Ensor, N. Simpson, Organizers M. J. M. Wells, D. D. Ensor, Presiding 2:00—Introductory Remarks. 2:05—301. Extraction chromatography in en vironmental analysis. E. P. Horwitz 2:25—302. Selective separation of metal ions through use of chelation and molecu lar recognition in bulk liquid membrane transport. J. I. Wirgau, S. M. Trzaska, T. N. Lambert, A. S. Gopalan, A. L Crumbliss 2:45—303. Separation and analysis of actinides from large environmental samples us ing "Diphonix" ion-exchange resin. W. C. Burnett, G. Kim, H. Dulaiova, E. P. Hor witz 3:05—304. Water-soluble chelating polymers for the selective complexation of iron(lll) and actinide(IV) ions. A. S. Gopalan, Η. Κ. Jacobs, W. C. Bisset, N. Koshti, W. Huang, P. Stark, G. Jarvinen, S. Hanson 3:25—Intermission. 3:40—305. Field air analysis with solidphase microextraction. J. A. Koziel, F. Augusto, M. Odziemkowski, J. Pawliszyn 4:00—306. Using reverse-phase solid-phase extraction for isolation of pesticide dégradâtes. E. M. Thurman, M. E. Lindsey 4:20—307. Separation of enantiomers of environmental pollutants. A. W. Garrison 4:40—308. Studying interactions between humic acids and filtration membranes. R. Hartman, K. R. Williams, W. Mickols Technical Intelligence cosponsored with Division of Chemical Information (see page 98) A Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)

Section C

WEDNESDAY MORNING Section A Westin Horton Plaza California C

Westin Horton Plaza Plaza A-B • Separations in Environmental Analysis Soil and Water Separations

• Green (or Greener) Industrial Applications of Ionic Liquids Catalysis

Cosponsored with Division of Environmental Chemistry

M. J. M. Wells, Presiding

K. R. Seddon, Presiding 8:00—309. Biphasic catalysis using supercritical carbon dioxide and ionic liquids. W. Tumas, F. Liu, R. T. Baker 8:45—310. Ionic liquids: Polar, weakly coordinating solvents for the biphasic oligomerization of ethylene to α-olefins with cationic Ni complexes. W. Keim, P. Wasserscheid, C. Hilgers 9:15—311. Palladium-catalyzed coupling re actions in room-temperature ionic liquids. T. Welton, P. J. Smith, C. J. Mathews 9:45—Intermission. 10:00—312. Catalytic oxidations in ionic liq uids. M. M. Abu-Omar 10:30—313. Palladium-catalyzed carbonylation of aryl halides in ionic liquids. T. Hayashi, E. Mizushima, M. Tanaka 11:00—314. Transition-metal-catalyzed hydrosilylation and hydroboration of acety lenes in ionic liquids. M. Vaultier 11:30—Discussion.

Section Β Westin Horton Plaza Plaza C Defense Applications of Nanomaterials Chem-Bio Defense

S. Lee, Presiding 8:30—315. Nanobiotechnology for chemical and biological defense. R. Yin, M. S. Bratcher, A. L. Jenkins, H. D. Durst, D. Qin, T. C. Cheng, S. T. Hobson, E. H. Braue, J. L. Way 9:00—316. Application of dentrimeric poly mers as a drug carrier in pharmacology. J. L. Way, I. Petrikovics, J. Jiang, R. Yin, T. C. Cheng, J. J. DeFrank 9:30—317. Nanomaterial antimicrobial agents. J. R. Baker Jr. 10:00—318. Solvent effects on the adsorp tion and reaction of 2-chloroethylethyl sul fide on AP-MgO. R. M. Narske, K. J. Klabunde, S. S. Fultz 10:30—319. In situ NMR analysis of chemi cal warfare agent simulants and their reac tion products with nanomaterials in a perfluoropolymer matrix. S. T. Hobson, D. A. Sartori 10:45—320. Nanomaterials as active compo nents in chemical warfare agent barrier creams. E. H. Braue Jr., B. F. Doxzon, T. L. Nohe, R. L. Stoemer, R. Yin, D. Qin, S. T. Hobson 11:00—321. Biocatalysis of silica nanostructures. P. W. Whitlock, L. L. Brott, S. J. Clarson, R. R. Naik, M. O. Stone 11:15—322. Bactericidal action of MgO nanoparticles. P. K. Stoimenov, G. L. Marchin, J. S. Klabunde, K. J. Klabunde 11:30—323. Bioconjugation of highly lumi nescent CdSe-ZnS quantum dots with en gineered recombinant proteins for use in biosensing. P. Tran, H. Mattoussi, J. M. Mauro, E. R. Goldman, G. P. Anderson, V. C. Sundar, M. G. Bawendi 11:45—324. Gold nanocluster vapor sen sors. A. W. Snow, H. Wohltjen, N. L. Jarvis 12:00—325. Polymer-layered silicate nanocomposites for extended shelf life food packaging. B. E. Koene, M. Rose, S. T. Tsipursky

8:30—326. Chemical extractions to deter mine metal partitioning in soils and sedi ments. S. Herbison, S. M. Loyland, H. Kurosaki, S. Clark 8:50—327. Sequential extraction procedures as an environmental tool. J. N. Beck, K. Gauthreaux, J. Sneddon 9:10—328. Characterization of aquatic natu ral organic matter using flow field-flow fractionation with UV/TOC detection. L. Ullmann, J. F. Ranville, G. Amy, F. H. Frimmel 9:30—329. Recent developments in pulse in troduction membrane extraction for the analysis of organic compounds in water. S. Mitra, D. Kou, X. Guo 9:50—Intermission. 10:10—330. Separation and enumeration of bacteria using flow field-flow fractionation with on-line single-particle optical sensing. J. F. Ranville, C. Johnson, S. K. R. Wil liams, H. Lee 10:30—331. Solid-phase extraction of submicrogram-per-liter concentrations of sul fonamides and tetracyclines from water. M. E. Lindsey, Ε. Μ. Thurman 10:50—332. Development of high-per formance SPE sorbents for environmental analysis. M. S. Young, U. Neue, M. F. Early 11:10—333. Determination of multiple class es of pesticides and pesticide dégradâtes in surface- and groundwater samples by solid-phase extraction GC/MS. M. W. Sandstrom, M. E. Stroppel, W. T. Foreman, M. P. Schroeder 11:30—334. Homogeneous and heterogeneous chemical derivatization with solidphase extraction. M. J. M. Wells

Section D Westin Horton Plaza Sierra ACS Award in Separation Science and Technology Symposium Honoring Csaba Horvath

9:40 —378. Preservation of biomolecules in carbohydrate-water glasses. P. G. Debenedetti, J. R. Errington, M. R. Feeney —342. Potential catalyst poisoning during hydrogénation reactions in ScC0 2 . K. W. Hutchenson, F. E. Herkes, D. J. Walls, T. K. Das, J. F. Brennecke 10:10—343. Engineering solvents for sustainable technology. C. A. Eckert 10:40—344. Award Address (Ipatieff Prize). Spectroscopy to understand solvation and kinetics in supercritical fluids. J. F. Brennecke Technical Intelligence cosponsored with Division of Chemical Information (see page 99) A Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)

WEDNESDAY AFTERNOON Section A Westin Horton Plaza California C • Green (or Greener) Industrial Applications of Ionic Liquids Catalysis

C. J. Adams, Presiding 1:30—345. Bioprocess applications of ionic liquids: Opportunities and challenges. G. J. Lye 2:15—346. Reactivity of lignocellulosic biomass derivatives in ionic liquids. L. Moens, N. Khan 2:45—347. Green chemistry, the carbohydrate economy, and ionic liquids: Compatible goals, compatible chemistries? R. D. Rogers, M. A. Godshall, T. P. Johnson, L. Moens, S. K. Spear 3:15—Intermission. 3:30—348. Biphasic hydroformylation of 1-octene using ionic liquids as catalyst phase. P. Wasserscheid, H. Waffenschmidt, C. C. Brasse, A. Salzer, P. Machnitzki, O. Stelzer 4:00—349. Chymotrypsin-catalyzed transesterification in ionic liquids and ionic liquid/ supercritical carbon dioxide. J. A. Laszlo, D. L. Compton 4:30—350. Green synthesis: Ionic liquids and cross coupling reactions. S. T. Handy, X. Zhang, S. Sternberger 5:00—Discussion.

J. Frenz, Organizer, Presiding 9:00—335. Award Address (ACS Award in Separation Science & Technology, sponsored by IBC Advanced Technologies Inc. and Millipore Corp.). Four decades of separation science: Triumphs, trials, and tribulations. C. Horvath 9:40—336. High-performance chromatofocusing with computer-aided design of the elution buffer. D. Frey 10:10—Intermission. 10:30—337. Chromatographic and CE methods in biological product characterization. E. Pungor 11:00 —387. Chromatography in biotechnology. J. Frenz

Section Ε Westin Horton Plaza Presidio Ipatieff Award Symposium Honoring Joan F. Brennecke

C. B. Roberts, Organizer, Presiding 339. Withdrawn. 8:30—Introductory Remarks. A. Varma 8:40—340. Carbon dioxide as monomer/ solvent in polymer synthesis. E. J. Beckman 9:10—341. Spectroscopic and mechanistic probes of supercritical fluids. J. E. Chateauneuf

Section Β Westin Horton Plaza Plaza C Defense Applications of Nanomaterials Photonics, Electronics, and Power Sources

J. Pazik, Presiding 1:30—351. Nanoscale assembly of lithium rechargeable battery components. A. M. Mayes, D. R. Sadoway, P. E. Trapa, S. C. Mui, P. P. Soo, B. Huang, Y-Y. Won 2:00—352. Exploiting nanomaterials technol ogy for the U.S. Army's objective force. N. C. Beck Tan, F. L. Beyer, S. K. Young 2:30—353. Nanostructured polymeric nonlin ear photonic materials for optical limiting. J. S. Shirk, R. G. S. Pong, S. R. Flom, A. Hiltner, E. Baer 3:00—354. Molecular electronics: A quantum mechanical approach. S. P. Kama, R. Pati 3:30—355. Formation of nanotubules and nanohelices by modulating self-assem bling properties of diacetylenic phosphocholines. A. Singh, M. Spector, R. R. Price, J. M. Schnur 3:45—356. Structural and mechanical prop erties of single-wall carbon nanotubes: A density functional theory study. Z. Wang, R. Pachter, B. Adkim, J. Blaudeu 4:00—357. Preparing photonic crystals from optically hollow, zinc sulfide-coated poly styrene, core-shell particles. M. L. Breen, A. D. Dinsmore, S. B. Qadri, B. R. Ratna



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125

I&EC/INOFVTECHNICAL PROGRAM

4:15—358. Nanofibrous composite mem branes of semiconducting and photoelec tric materials. K. J. Senecal, D. Ziegler, M. Auerbach, H. Schreuder-Gibson, L. A. Samuelson 4:30—359. Synthesis and characterization of nanocrystalline bismuth telluride. Ε. Ε. Foos, R. M. Stroud, A. D. Berry, A. W. Snow, D. J. Gillespie, A. C. Ehrlich 4:45—360. Nanoscale alloy anodes. J. B. Wolfenstine, J. Read, D. Foster, W. Behl

Section C Westin Horton Plaza Plaza A-B • Separations in Environmental Analysis Separations of Metal Ions Cosponsored with Division of Environmental Chemistry

G. R. Choppin, M. L Dietz, Presiding 1:30—361. Metal ion separations with proton-ionizable lariat ether carriers in poly mer inclusion membranes. R. A. Bartsch, B. Amiri-Eliasi, E. K. Lee 1:50—362. Improved extraction chromato graphic material for the separation and preconcentration of strontium from acidic media. M. L. Dietz, J. Yaeger, L. R. Sajdak Jr. 2:10—363. Plutonium decontamination of ni tric acid process effluents using extraction chromatography. K. D. Abney, M. R. Cisneros, R. Pearce, M. M. Mahar, S. J. Ker sey, L. D. Schulte 2:30—364. Improved extraction chromato graphic resin for the separation of uranium from acidic nitrate media. R. Chiarizia, M. L. Dietz, L. R. Sajdak, E. P. Horwitz 2:50—Intermission. 3:05—365. Analytical-scale separations of lanthanides. K. L. Nash, M. P. Jensen 3:25—366. Simple analysis of soils by micro wave dissolution and extractive scintilla tion α spectrometry. C. E. Bamberger, F. I. Case, Ε. Τ. Hasty 3:45 —368. Use of extractive scintillation cocktails for the analysis of α emitters. D. D. Ensor, S. Glover 4:05 —367. Separation, purification, and β liquid scintillation analysis of Sm-151 in Savannah River site and Hanford site DOE high-level waste. R. A. Dewberry, W. T. Boyce, N. E. Bibler, A. E. Ekechuckwu, D. M. Ferrara

Section D Westin Horton Plaza Sierra ACS Award in Separation Science and Technology Symposium Honoring Csaba Horvath

J. Frenz, Presiding 2:00—Introductory Remarks. G. Bonn 2:10—369. Novel columns for microseparations in bio- and phytoanalysis. G. Bunn 2:30—370. CE applications in process devel opment of protein therapeutics. S. Ma 3:00—Intermission. 3:20—371. Separation of aqueous phase by novel membranes. N. Li 3:50—372. Role of new separation and mass spectrometric methodologies in glycobiology. M. Novotny 4:20—373. Simulating retention in gas-liquid chromatography. J. I. Siepmann, C. D. Wick, M. G. Martin, M. R. Schure

Section C

Section Ε Westin Horton Plaza Presidio

Westin Horton Plaza California C

Ipatieff Award Symposium Honoring Joan F. Brennecke

Active Organic Materials Semiconductors and Charge Transport

C. B. Roberts, Presiding

Η. Ε. Katz, Organizer, Presiding

1:30—374. Supercritical fluid and nearcritical fluid solvent effects on nanoparticle synthesis in reverse micelles. C. B. Rob erts, R. McHenry, M. E. Miller 2:00—375. Steric stabilization of metal and semiconductor nanocrystals in supercriti cal fluids. K. P. Johnston, P. S. Shah, R. C. Doty, K. J. Ziegler, B. A. Korgel, J. D. Holmes 2:30—376. How polymer solution microstruc ture affects processing in SCF solvents. M. A. McHugh 3:00—377. Phase behavior of carbon dioxide-soluble binder and template mate rials. E. Gulari, C. W. Manke, Q. Cao 3:30—342. Potential catalyst poisoning dur ing hydrogénation reactions in ScC0 2 . K. W. Hutchenson, F. E. Herkes, D. J. Walls, T. K. Das, J. F. Brennecke 4:00—379. Reliable density functional theory calculations of adsorption in porous materials. R. W. Maier, M. A. Stadtherr Technical Intelligence cosponsored with Division of Chemical Information (see page 99) A Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)

8:30—391. Organic materials for optical switching. S. Marder 8:55—392. Designing electroactive poly mers. M. Galvin, S. Vaidyanathan, H. Dong, A. Menon, Z. Niazimbetova, C. Collison, K. Walz, L. Rothberg 9:20—393. Effects of regioregularity and main-chain polarity on solid-state structure of poly(3-alkyl-thiophenes, thiazoles, and furans). M. D. Curtis, M. P. Brukwicki, A. B. Koren, J. Cao 9:45—394. Light-driven polymer mass trans port in azopolymers and fabrication of photonic devices. S. K. Tripathy 10:10—395. Organic semiconductors for plastic electronics. Z. Bao, A. Dodabalapur, H. Katz, V. R. Raju, J. Rogers 10:35—396. High-mobility conjugated poly mer thin-film transistors. H. Sirringhaus 11:00—397. Ambipolar organic field-effect transistors. J. H. Schon 11:25—398. Neutral radical conductors based on the phenalenyl system. R. C. Haddon, X. Chi, Μ. Ε. Itkis 11:50—399. Noncrystallizable organic mate rials for use in optoelectronic devices. G. C. Bazan, J. C. Ostrowski, S. Wang

Section D Westin Horton Plaza Plaza C

THURSDAY MORNING Section A Westin Horton Plaza Sierra

General Papers in Advanced Materials and Nanotechnology

L. R. Sita, R. C. Haddon, Organizers, Presiding

• Green (or Greener) Industrial Applications of Ionic Liquids Structure and Photochemistry

R. M. Pagni, Presiding 8:00—380. Structural studies of imidazoliumbased ionic liquids. C. Hardacre, J. D. Holbrey, S. E. J. McMath, M. Nieuwenhuyzen, C. Hanke 8:45—381. Designing structure in ionic liquids: A consideration of shape, charge density, and composition. J. D. Martin 9:15—382. Liquid ionic phosphates: Syntheses and purifications. J. I. Cohen, S. I. Lall, D. Mancheno, S. Castro, R. Engel 9:45—Intermission. 10:00—383. 1-Alkyl-3-methylimidazolium tetrachloropalladate(ll) and platinate(ll) salts: The structure of ionic liquid catalysts. J. D. Holbrey, S. Johnston, M. Nieuwenhuyzen, K. R. Seddon 10:30—384. Photochemical and photophysical investigations in ionic liquids. C. M. Gordon, M. J. Muldoon, I. R. Dunkin, A. J. McLean 11:00—385. Fluorescence quenching of polycyclic aromatic hydrocarbons within room-temperature ionic liquids. S. Pandey, K. A. Fletcher, A. E. Hendricks 11:30—Discussion.

Section Β Westin Horton Plaza Plaza A-B ACS Award in Separation Science and Technology Symposium Honoring Csaba Horvath

400. Withdrawn. 8:50—401. Novel catalyst deposition tech nique for the growth of carbon nanotubes. L. D. Delzeit, A. Cassel, R. M. D. Stevens, C. Nguyen, M. Meyyappan 9:10—402. Chemistry of single-walled car bon nanotubes. M. A. Hamon, H. Hu, J. Chen, M. E. Itkis, R. C. Haddon 9:30—403. Moleculariy imprinted polymer thin films and microstructures. A. Kapua, M. Yan 9:50—404. Pharmaceutical nanoparticles via an industrial supercritical fluid process. J. D. Wang, F. S. Mandel 10:10—405. Photoluminescent OPV-PEG nanofibers. H. H. Wang, H. Wang, L. Yu, P. Thiyagarajan 10:30—406. Single-crystal nanowires electrodeposited from reversed liquid-crys talline phases. Y. Yan, L. Huang 10:50—407. Surface derivatization of CdSe nanocrystals using organic ligands. C. Zhang, S. E. Woehler, L. Balogh, S. O'Brien 11:10—408. Template-direct solid-state syn thesis: Controlling covalent bond formation at the nanometer level. L. R. Mac Gillivray, J. L. Reid, J. A. Ripmeester 11:30—409. Toward gold-clad latex particles via conducting polymer-coated latexes. M. A. Khan, C. Perruchot, S. P. Armes • Nanotechnology in Catalysis cosponsored with Catalysis & Surface Science Secretariat (see page 71)

THURSDAY AFTERNOON Section A

J. Frenz, Presiding •

Catalysis

•


•


Ν Materials ~W Medicinal & Pharmaceutical •



126

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9:00—386. High-throughput mass spectrom etry. B. Karger 9:30 —338. Kinetic study of mass transfer in reversed-phase liquid chromatography on a C-18 silica gel. G. Guiochon 10:00—388. Process development challeng es of modern vaccines. A. Lee 10:30—Intermission. 10:50—389. Numerical estimation of multicomponent adsorption isotherms: Robust ness of results. A. Velayudhan 11:20—390. Role of separation science in the emerging field of proteomics. B. Han cock

Westin Horton Plaza Sierra • Green (or Greener) Industrial Applications of Ionic Liquids High-Temperature and Other Systems

2:00—411. Catalytic and electrochemical processes for S 0 2 and NO x emission abatement: Part II. R. Fehrmann, B. S. Bal'zhinimaev, S. Boghosian, M. Eriksen, V. Parvulescu, J. Winnick, A. Zagoruiko, Y. N. Zhukov 2:30—412. Ionic liquids as benign solvents for extraction of astaxanthin and solubili zation of chitin. S. K. Spear, W. M. Reichert, R. P. Swatloski, R. D. Rogers 3:00—Intermission. 3:15—413. Ammonolysis in supercritical am monia. W. S. Anderson, H. J. Hyer, T. P. Rudy, J. E. Sundberg 3:45—414. Low-temperature acetamidebased melts for electrochemical process es. O. Boiko, S. Kochetova, A. Furman, N. Tumanova 4:15—415. Electrodeposition of oxygen-free tantalum and synthesis of novel oxygencontaining tantalum compounds from mol ten salts. V. V. Grinevitch, A. V. Arakcheeva, L. P. Polyakova, E. G. Polyakov 4:45—416. Synthesis of phosphorous com pounds in ionic liquids. N. P. Tarasova, Y. V. Smetannikov, D. E. Polyansky, Ο. Β. Lapina 5:15—Discussion.

Section Β Westin Horton Plaza Plaza A-B ACS Award in Separation Science and Technology Symposium Honoring Csaba Horvath

J. Frenz, Presiding 2:00—417. A priori design of low molecular weight displacers using high-throughput screening and quantitative structure effica cy relationship models. S. M. Cramer 2:30—418. Advanced techniques and chal lenges in drug discovery. K. Kalghatgi 3:00—419. Protein-membrane interactions with relevance to filtration. G. Belfort 3:30—Intermission. 3:45—420. Recent developments in the preparative-scale electrophoretic separa tion of enantiomers. G. Vigh 4:15—421. Highsulf enhances gas sweeten ing and tail gas treatment processes. T. K. Khanmamedov 4:35—422. Syntheses and characterizations of novel class C60-based p-phenylenevinylene derivatives. D. Zhu, S. Wang, Y. Li, R. Chen

Section C Westin Horton Plaza California C Active Organic Materials

Η. Ε. Katz, Presiding 1:30—423. Design and preparation of macromolecular and dendritic electro-optical chromophores. L. R. Dalton 1:55—424. Syntheses and self-assembly of conjugated diblock copolymers. L. Yu 2:20—425. Synthesis and properties of liquid-crystalline charge-transport materi als. R. J. Twieg, V. Gettwert, A. Semyonov, L. Sukhomlinova, K. D. Singer, I. Shiyanovskaya, J-l. Hanna, M. Funahashi, K. Kurotaki 2:45—426. Dioxythiophene- and dioxypyrrole-based polymers: Electron-rich con ducting and electrochromic polymers. J. R. Reynolds, C. J. DuBois, I. Giurgiu, C. L. Gaupp, Y. Lee, S. Sadki, P. Schottland, G. Sonmez, C. A. Thomas, D. M. Welsh, K. Zong 3:10—427. Design of electronic polymers for sensor applications. Τ. Μ. Swager 3:35—428. Organic-inorganic thin-film field effect transistors. C. R. Kagan, D. B. Mitzi, C. D. Dimitrakopoulos, T. L. Breen, A. Afzali, L. L. Kosbar 4:00—429. Conjugated polymer gels as 3-D electrodes. O. W. Inganàs, T. Nyberg, S. Ghosh

L. Moens, Presiding 1:30—410. Catalytic and electrochemical processes for S 0 2 and NO x emission abatement: Part I. S. Boghosian, B. S. Bal'zhinimaev, M. Eriksen, R. Fehrmann, V. Parvulescu, J. Winnick, A. Zagoruiko, Y. N. Zhukov


HTTP://PUB5. ACS.ORG/CEN

4:25—430. Nonlithographic electrodeposition of electroactive conjugated oligomers and polymers on conducting surfaces using the precursor polymer approach. R. C. Advincula, C. Xia, S. Inaoka, D. Roitman

Section D

11:35—6. Organic chemistry and asymmetric synthesis using mesoporous molecular sieves. C. M. Crudden 12:10—7. Toward single-site heterogeneous catalysts via surface organometallic chem istry. C. Coperet, M. Chabanas, R. Petroff Saint-Arroman, A. Baudouin, J-M. Basset

Westin Horton Plaza Plaza C

Section Β

General Papers in Advanced Materials and Nanotechnology

L. R. Sita, R. C. Haddon, Presiding 1:30—431. Adhesion as a function of poly mer sticker and substrate receptor groups. I. Lee, R. P. Wool 1:50—432. Development of a porous silicon bioartificial liver reactor. B. E. Collins, M. J. Sailor, S. Bhatia, V. Chin 2:10—433. Millimeter wave joining of ceram ics and metals using reactive, nanophase brazes. D. Lewis III, L. K. Kurihara, M. Chase, A. Fliflet, Y. Bykov, A. G. Eremeev, S. V. Egorov 434. Withdrawn. 2:50-^435. Nanometer-scale chemistry of la tent image formation in chemically ampli fied resists. F. A. Houle, W. D. Hinsberg, M. I. Sanchez, J. A. Hoffnagle 3:10—436. Nanoscale liposome-based chemical reactors. E. Pinkhassik, J. Karimova 3:30—437. Nanoscale tin oxide composite materials for negative anode materials. T. A. Hugener, M. Gulbinska, F. J. Spiess, F. Galasso, S. L. Suib, R. Pierce, S. laconetti, J. F. DiCarlo 3:50—438. PZT and PLZT thick films for MEMS. O. Huang, A. Bandyopadhyay, S. Bose 4:10—439. Surface patterns of zeolite nanocrystals by evaporation-induced selfassembly. Y. Yan, H. Wang 4:30—440. Synthesis and characterization of functional mesostructured silica films. D. R. Dunphy, S. Singer, D. Loy, C. J. Blinker


D. C. Crans, Program Chair SUNDAY MORNING Section A Convention Center Room 10 Molecular Engineering for Phase-Separable Catalysts

R. T. Baker, D. Bergbreiter, Organizers H. Hugl, Presiding 8:30—Introductory Remarks. 8:40—1. 'Third way" for catalyst immobiliza tion: Catalysis and extraction using super critical solutions. W. Leitner 9:15—2. New fluorous palladium catalyst for aryl halide coupling reactions. C. Rocaboy, J. A. Gladysz 9:50—3. Rigid and sterically regular poly mers in asymmetric catalysis. L. Pu 10:25—4. Silica anchored dendhmer-metal complexes in catalysis. H. Alper 11:00—5. Phase-separable multimetallic ho mogeneous catalysts. G. van Koten, J. T. B. H. Jastrzebski, A. W. Kleij, R. van de Coevering, H. Dijkstra, R. J. M. Klein Gebbink


D. C. Crans, Organizer

P. J. Shapiro, Organizer, Presiding

C. C. Cummins, Presiding

9:00—Introductory Remarks. 9:05—8. Novel cyclopentadienyl-gallium compounds: Synthesis, structure, and re activity. P. Jutzi, S. Bensiek, N. Lenze, T. Pott, L. O. Schebaum, G. Reumann 9:50—9. Low-coordinate cationic group 13 alkyl complexes. R. F. Jordan 10:20—10. Aluminum and gallium chloride stabilized arene-mercury complexes. A. R. Barron, A. S. Borovik, S. G. Bott 10:50—11. Fundamental and applied as pects of four- and five-coordinate alumi num. D. A. Atwood, M. J. Harvey, A. R. Hutchison, T. S. Keizer, M. A. VanAelstyn, Y. Wang, B. C. Yearwood 11:20—12. α-Thioboronate esters via metalcatalyzed hydroboration and diboration of thiocarbonyls and alkenyl sulfur com pounds. R. T. Baker, C. A. G. Carter, C. M. Vogels, D. J. Harrison, M. K. J. Gagnon, D. W. Norman, R. F. Langler, S. A. Westcott 11:50—13. New ligands derived from heteroaromatic boron compounds. A. J. Ashe III

8:50—26. Titanocene cyclic organohydroborates: Synthesis and hydride ion abstrac tion as a function of solvent. C. E. Plecnik, F-C. Liu, S. Liu, J. Liu, E. A. Meyers, S. G. Shore 9:10—27. Titanium and yttrium complexes with O-donor polymerizable ligands as source of metal oxides in microcellular polymers. L. G. Hubert-Pfalzgraf, L. C. Cauro-Gamet, R. Collier 9:30—28. Early transition metal ketimide complexes. P. J. Chirik, C. C. Cummins 9:50—29. Synthesis and characterization of vanadyl complexes. K. I. Smith, L. Borer 10:10—30. Synthesis of pyridinium biscitrato(2-)oxochromate(V) and ligand exchange studies. S. N. Mahapatro, A. Ibrahim, K. L. Link, A. Bumgartner, M. D. Patro 10:30—31. Metal complexes of a new chelat ing amidoximato ligand. M. V. Barybin, P. L. Diaconescu, C. C. Cummins 10:50—32. Novel structural modes of multinuclear transition-metal carboxylates with no exogenous ligands. F. A. Cotton, R. Clérac, K. R. Dunbar, E. A. Hillard, C. A. Murillo, M. A. Petrukhina, B. W. Smucker, H-C. Zhou 11:10—33. Trialkoxy molybdenum(VI) phosphido complexes. F. H. Stephens, P. L. Diaconescu, C. C. Cummins 11:30—34. Electronic-absorption spectroelectrochemical studies of M2X4(PR3)4 compounds. D. E. Haines, K. D. John, M. D. Hopkins 11:50—35. Synthesis and characterization of MAs8n_ and MSb8n_ type transition-metal zintl ion complexes (M=Nb, Mo). B. Kesanli, B. Eichhom 12:10—36. Synthesis, characterization, and reactivity of novel low-valent technetiumphosphine complexes. A. Davison, E. Freiberg, W. M. Davis, A. G. Jones

Section C Convention Center Room 14B Award Symposium: Edward Solomon Synthetic and Biomimetic Chemistry

A. B. Ellis, Presiding

DIVISION OF INORGANIC CHEMISTRY

Section Ε Convention Center Room 15B Transition Metal

New Developments in the Chemistry of Group 13

K. D. Karlin, Organizer

INOR

10:45—24. Building metal atom chains from dinuclear units. F. A. Cotton, L. M. Daniels, P. Lei, C. A. Murillo, X. Wang 11:15—25. Luminescent transition-metal and lanthanide complexes based on starburst ligands. S. Wang, J. Pang, C. Seward

8:25—Introductory Remarks. 8:30—14. Copper-dioxygen complexes: Ligand design, peroxo-dicopper(ll) struc tures, and reactivity. K. D. Karlin, C. X. Zhang, H-C. Liang 9:00—15. Iron-peroxo and oxo complexes modeling nonheme iron enzyme interme diates. L. Que Jr. 9:30—16. Low coordination number β-diketiminate complexes of copper. W. B. Tolman, P. L. Holland, B. A. Jazdzewski, A. M. Reynolds, L. L. Bowen, D. J. E. Spen cer, D. C. Price, M. Pink, V. G. Young Jr. 10:00—17. Investigation of the active site structure of nonheme iron-dependent phe nylalanine hydroxylase. J. P. Caradonna 10:30—18. Formation of Cu(l)-peralkylateddiamine dioxygen complexes and their re activity. V. Mahadevan, M. Henson, E. I. Solomon, T. D. P. Stack 11:00—19. Physical characterization and novel dioxygen reactivity of diiron com plexes having sterically demanding terphenyl carboxylate ligands. D. Lee, S. J. Lippard 11:30—20. What's in an oxidation number? Coordination chemistry with radicals. K. Wieghardt

Section D Convention Center Room 15A Award Symposium: John Fackler

D. Coucouvanis, Organizer, Presiding 9:00—Introductory Remarks. J. Lewis 9:15—21. Chemistry and other lessons learned in the John Fackler research group. A. P. Sattelberger 9:45—22. Remarkable luminescence behav ior of two-coordinate gold(l) complexes. A. L Balch, M. M. Olmstead, R. L. White, F. Jiang, D. S. Tinti 10:15—23. π-Complexes and metallacycles of platinum and rhodium from organic propargyl compounds. A. Wojcicki

SUNDAY AFTERNOON Section A Convention Center Room 10 Molecular Engineering for Phase-Separable Catalysts

K. Bartels, Presiding 2:00—37. New types of polymer-supported catalysts used in organic synthesis. S. Kobayashi 2:35—38. Recent developments in anchored homogeneous catalyst technology. R. L. Augustine, S. K. Tanielyan, S. Anderson, J. Nair, Y. Gao, C. T. Goralski, R. B. Appell 3:10—39. Phase-separable catalysis approaches using dense-phase carbon dioxide. W. Tumas, F. Liu, G. Brown 3:45—40. Generation of H 2 0 2 from hydrogen and oxygen using C 0 2 as the solvent. E. J. Beckman, D. Hancu 4:20—41. Development of metal hydroxide catalysts in heterogeneous oxidations. K. Kaneda

Section Β Convention Center Room 14A New Developments in the Chemistry of Group 13

M. R. Mason, Presiding 1:30—42. Metalloid aluminum and gallium clusters: Prototypes for the structure of the elements? H. Schnoeckel 2:15—43. New π-conjugated boron-con taining polymers. Y. Chujo, N. Matsumi 3:00—44. Boron-based molecular and poly meric precursors to advanced ceramics. L. G. Sneddon, M. J. Pender 3:30—45. Twelvefold organofunctionalization of icosahedral boranes. M. F. Hawthorne, A. Maderna, T. Peymann, C. B. Knobler, A. Herzog 4:00—46. Utilization of transition metals in the chemistry of boranes. T. P. Fehlner 4:30—47. Molecular phosphates and phosphonates of aluminum and gallium: Poten tial applications in materials synthesis. M. R. Mason, V. Ponomarova, R. M. Mat thews, A. M. Perkins

Section C Convention Center Room 14B Award Symposium: Edward Solomon Proteins, Spectroscopy, and Electron Transfer

K. D. Karlin, Presiding 1:30—48. Kinetics and regulation of MMO compound Q reaction with substrates. J. D. Lipscomb, B. J. Brazeau, B. J. Wallar 2:00—49. Reduction pathway of end-on ter minally coordinated dinitrogen. F. Tuczek 2:30—50. Electronic structure and spectros copy of oxo-Mo centers with thiolate li gands. J. H. Enemark, J. McMaster, Y-S. Yang, M. D. Carducci, E. I. Solomon 3:00—51. Progress in studying active-site structures in metalloproteins using X-ray absorption spectroscopy. K. O. Hodgson, B. Hedman 3:30—52. In situ X-ray absorption spectros copy of olefin polymerization catalysts. P. Brant, J. M. Canich, P. T. Matsunaga, K. M. Squire, P. A. Stevens, B. DeVries, M. Sansone, E. I. Solomon 4:00—53. Copper electrode surfaces: Depo sition, growth, and oxide formation. A. A. Gewirth 4:30—54. Multielectron phthalocyanine elec trochemistry and electrocatalysis. A. B. P. Lever, C. Alexiou, J. Chen 5:00—55. Photogeneration of Tyr and Trp radicals in Re-modified copper proteins. H. B. Gray, A. J. Di Bilio, B. R. Crane, W. A. Wehbi, C. R. Hess, J. R. Winkler

Section D Convention Center Room 15A Award Symposium: John Fackler

M. Darensbourg, Presiding 2:00—56. Quest for ideal métallo superelectrophiles to bind and activate weak nucleophiles such as alkanes. G. J. Kubas, X. Fang, B. L. Scott, K. D. John 2:30—57. Polynuclear transition-metal pyrazolato complexes: From trimers to tetradecamers, so far. R. G. Raptis 3:00—58. Supramolecular assembly of hexagonal mesostructured sulfide and selenide nanocomposites containing the biologically relevant Fe4S4 cluster. P. Trikalitis, T. Bakas, V. Papaefthymiou, M. G. Kanatzidis 3:30—59. Facilitated transport of amino acids or neurotransmitters across bulk liquid membranes or lipid bilayers by metalsalphen crown ether hybrids as carriers. D. Coucouvanis, J. D. Pike, D. T. Rosa 4:00—60. Organometallic models for the binuclear active site of Fe-only hydrogenase. M. Darensbourg, E. Lyon, I. Georgakaki


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127

INOFVTECHNICAL PROGRAM

Section Ε

Section F



Metallocene Catalysts

Organometallic: Late Transition Metal



T. J. Marks, Presiding

R. D. Adams, Presiding

1:30—61. Soluble models for organoboranemodified, silica-supported, metallocene catalysts. S. Collins, R. A. Metcalfe, D. I. Kreller, J. Tian, N. J. Taylor 1:50—62. What are the challenges for mak ing polymers from polar monomers? D. M. Phlllpp, R. P. Muller, W. A. Goddard III, J. Storer, M. McAdon, M. Mullins 2:10—63. Extreme activities for living Ziegler-Natta polymerizations using ( η C5H5)ZrMe2[(N(Ri)C(Me)N(R2)] as precatalyst. R. J. Keaton, K. C. Jayaratne, L. R. Sita 2:30—64. Branched alkylaluminoxanes: Su perior cocatalysts for transition-metal poly merization catalysis. A. D. Horton, J. F. van Baar, P. A. Schut, G. M. M. van Kes sel, Κ. L. von Hebel, Ε. Kragtwijk, M. van de Pas 2:50—65. Counteranion effects on single-site olefin polymerization: Perfluoroarylboranes and aluminates as cocatalysts for syndiospecific propylene polymerization. M-C. Chen, T. J. Marks 3:10—66. Catalytic insertive homo- and copolymerizations of styrene and MMA: A novel polymerization pathway mediated by low-valent cyclopentadienyl titanium com plexes. S. C. Yoon, T. J. Marks, L. Luo 3:30—67. New single-site catalysts for con trolled olefin polymerization. S. Mihan, D. Lilge, H. Mass, M. Enders, G. Ludwig, R. Rudolph, R. Kohn, G. Seifert, G. KociokKohn 3:50—68. Stereospecificity and regiospecificity of 1 -hexene polymerization catalyzed by dimethylmonocyclopentadienylzirconium acetamidinates. K. C. Jayaratne, L. R. Sita 4:10—69. Measurement of heavy-atom ki netic isotope effects in the polymerization of 1-hexene by metallocene catalysts. C. R. Landis, K. A. Rosaaen 4:30—70. Ring-opening Ziegler polymeriza tion of methylenecycloalkanes: Scope and mechanism. T. R. Jensen, B. D. Stubbert, T. J. Marks 4:50—71. Regio- and stereoselectivity in ansa-metallocene polymerization: An ex perimental and DFT study. P. H. M. Budzelaar, M. Borrelli, S. Ronca, R. Cipullo, V. Busico 5:10—72. Reduction of fulvenes with activat ed calcium: β-Hydrogen abstraction vs. coupling, synthesis, and molecular struc tures of new calcocenes. P-J. Sinnema, B. Hôhn, B. Twamley, P. J. Shapiro 5:30—73. Selectivity and mechanism in organolanthanide-catalyzed hydrophosphination. M. R. Douglass, M. Ogasawara, T. J. Marks

1:30—74. Synthesis and reactivity of Tp R R ' cobalt oxo complexes and their analogs (Tp=hydro(trispyrazolyl)borate; R = f-Bu or /'-Pr, R' = Me). S. Thyagarajan, K. H. Theopold, A. Rheingold 1:50—75. Ethylene oligomerization action of nP^2PC6HAC[0-B(C6F5)3)0-^P,Ot]N\(n3-CH2Ph). Z. J. A. Komon, G. C. Bazan 2:10—76. Ni(ll)-catalyzed polymerization of acyclic internal olefins. M. D. Leatherman, M. Brookhart 2:30—77. Palladium(ll)-promoted synthesis of p-chiral iminophosphines by the hydroamination of phosphinoalkynes. X. Liu, K. F. Mok, J. J. Vittal, P-H. Leung 2:50—78. Palladium-catalyzed asymmetric synthesis of chiral tertiary phosphines. J. R. Moncarz, D. S. Glueck 3:10—79. Synthesis and electrochemistry studies of palladium complexes containing new bis(oxazoline) ligands. Β. Τ. Donovan-Merkert, M. Fouzi 3:30—80. New di-(n 1 -C) carbamoylpalladium complexes: Synthesis, structur al characterization, and reactivity toward halogen donors—new catalytic route to carbamic esters and isocyanates. M. Aresta, P. Giannoccaro, I. Tommasi, A. Dibenedetto, A. M. Manotti Lanfredi, F. Ugozzoli 3:50—81. Design and synthesis of "2-D" and "3-D" metallocyclic supramolecular sys tems with polyphosphino/polyphenylene spacers. K. Khin, B. Hong 4:10—82. Bond activation studies at zwitterionic platinum(ll) alkyl complexes support ed by an anionic bisphosphinoborate ligand. J. C. Thomas, J. C. Peters 4:30—83. Carbon-hydrogen bond activation mediated by cationic platinum(ll) complex es. H. A. Zhong, J. A. Labinger, J. E. Bercaw 4:50—84. N-Supported dinuclear platinum(ll) dihydrido-bridged complex. S. Reinartz, M-H. Baik, P. S. White, M. Brookhart, J. L. Templeton 5:10—85. Studies toward the functionalization of light alkanes: Facile C-H bond ac tivation by a neutral Pt(ll) alkyl complex. J. D. Scollard, J. A. Labinger, J. E. Bercaw

A Catalysis • Chemistry & Computers • Environmental Issues

Section G Convention Center Sails Pavilion General Poster Session D. C. Crans, Organizer,

Presiding

2:00-4:00 86. Structure of the solvated proton: Weighable acidic reagents with controlled acidity and solvation. D. Stasko, C. A. Reed 87. Taming superacids: Stabilization of fullerene HC 70 + and C 70 + cations and pro tonation of very weakly basic arènes. K-C. Kim, C. A. Reed 88. Surface organometallic chemistry of noncoordinating Lewis acids. N. Millot, M. Chabanas, C. C. Santini, J-M. Basset 89. Development of new heterogenized homogeneous catalysts based on mesoporous materials. T. Hyeon, S-W. Kim, B. M. Kim, Y. K. Chung 90. Phosphorus-carbon spin-spin coupling between dangling phosphines and M-CO. R. L. Keiter, E. A. Keiter, J. S. Southern, M. L. Stanley, C. Gamage, R. J. Keaton, R. C. Bailey, R. Sommer, I. Guzei, G. P. A. Yap, A. L. Rheingold

91. Surface organometallic chemistry of triisobutylaluminum with silica: Preparation, characterization, and reactivity of welldefined silica-bound aluminum isobutyl species. N. T. Vu, C. Coperet, C. Santini, J-M. Basset 92. Polymer-supported catalysts for polymer hydrogénation. N. L. Wagner, M. A. Hillmyer 93. De novo design of metal-binding peptides as artificial endonucleases. M. Sirish, S. J. Franklin 94. Synthesis and reactivity of late transition metal complexes of bis(8-quinolinyl)amine. S. B. Harkins, S. D. Brown, J. C. Peters 95. Chemistry of cyclopentadienyl titanium aryloxides. J. Lee, I. P. Rothwell, M. Thorn 96. [4+2] Cycloaddition catalyzed by complexes containing the pentaphenylcyclopentadienylzirconium(IV) fragment. W. Tlkkanen, I. Cruz, A. Chau, M. Livhits, T. Wenj, O. A. Villalta, D. Remesaitsky 97. Metallocene catalysts bound to the spherosilicate cube Si8O20· C. E. Barnes, S. Saengkerdsub 98. Isolation, characterization, and biological behavior of new ternary ruthenium complexes. R. Vilaplana, K. Akdi, S. Kamah, L. Mishra, L. Messori, F. Gonzalez-Vilchez 99. Synthesis of isocyanates from carbon dioxide using a molybdenum catalyst. H. Hou, C. P. Kubiak 100. Thermochemistry, kinetics, and volumes of ligand and solvent substitution of molybdenum carbonyl complexes. T. Burkey, T. Jiao, S. Gitterman 101. Electronic effects in titanium-catalyzed transformations using 6,6'-substituted BlNOL ligands. K. R. Greer, D. K. MacFarland, J. Marshall, C. Wagoner, D. Woods 102. Comparison of the structure and intramolecular dynamics of a series of crystalline and cyclodextrin enclathed arene manganese tricarbonyl salts in the solid state. H. C. Canuto, S. J. Heyes, M. L H. Green, J. W. Higgins 103. Heterobimetallic catalysts for the electrooxidation of methanol. G. Matare, M. E. Tess, K. E. Torraca, L. McElwee-White 104. Unusual Pd-H agostic interactions formed with Pd-nucleotide complexes. J. A. Walmsley, A. Matilla, T. Donowick, J. E. Cramp 105. Mechanistic studies relevant to catalytic carbonylation: Flash photolysis of Rh[C(0)CH 3 ](CO) 2 l 3 "· J. Marhenke, V. Reyes, S. M. Massick, P. C. Ford 106. Highly active ruthenium olefin metathesis catalysts. J. A. Love, M. S. Sanford, R. H. Grubbs 107. Photoelectron spectroscopy of substituted Rh2(form)4 complexes: Electronic influences upon gas-phase ionizations. L. O. Van Dorn, D. L. Lichtenberger, N. E. Gruhn 108. Reaction of Os(OEP)(CO) with nitric oxide forms the disproportionation products N 2 0 and Os(OEP)(NO)(ONO): Kinetics and structural studies. F. A. Leal, I. M. Lorkovic, P. C. Ford 109. Electrochemistry and in situ spectroelectrochemistry of a perfluorinated rhodium porphyrin in coordinating and noncoordinating media. S. G. DiMagno, H. Sun, J. G. Redepenning, F. Xue 110. Polymer-immobilized cationic MeOBiphep rhodium catalysts: The effect of poisoning on the reactivity of molecularly imprinted catalysts. A. O. Larsen, M. R. Gagne 111. H-H distances in elongated, transitionmetal dihydrogen complexes: Effects of temperature and isotopic substitution. J. K. Law, H. M. Mellows, D. M. Heinekey 112. Electrochemical studies of tungstenalkylidyne complexes. D. E. Haines, C. K. Simpson, M. D. Hopkins

113. Comparison of biphasic protocols for homogeneous hydrogénation catalysis. D. Ellis, P. Dyson 114. Triazacyclohexane complexes of chromium for selective trimerization. S. Mihan, D. Lilge, H. Maas, F. Molnar, R. Kohn, G. Seifert, G. Kociok-Kohn 115. Design and synthesis of water-soluble palladium and platinum complexes with ligands containing nitrogen as the donor atom. A. Kundu, B. Buffin 116. Diels-Alder catalysis by (dppe)Pt(OTf)2: Unexpected formation of [(dppe)Pt(Cp)]+[OTf]". N. M. Brunkan, M. R. Gagné 117. Syntheses and characterization of new potentially trans-chelating polydentate phosphine ligands: Complexes with platinum(ll), palladium(ll), and silver(l). M. L. Smith, H. Gao, W. E. Hill 118. Fluxional luminescent gold-cyclophane reminiscent of cyclohexane ring inversion. P. Janardhana, J. H. K. Yip Sr., J. J. Vittal 119. Synthetic and electrochemical studies of transition-metal pyranyl complexes. M. J. Shaw, R. Henson, K. Karidis, J. E. Eilers, K. Savitiskij, J. W. Westhoff 120. Donor layer-acceptor chain formation in the LaNiGe2.xSix structure: A crystallographic and computational study. K. C. Lobring, C. Check, C. Zheng 121. Evaluation of electron-transfer reorganization energy via cross-reactions. T. L. Jentzsch, J. J. O'Konek, J. R. Pladziewicz 122. Electrochemical and spectroelectrochemical investigation of Nb(V) and Ta(V) in the noncoordinating room-temperature ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate. V. Katovic, H. Dyar, H. Krall, B. Popp, M. May 123. Thioxanthene lead perovskite: Structure and optical properties. K. R. Maxcy, R. Willett, A. Afzali, D. B. Mitzi 124. Metal-metal bonds with strong donor ligands: A UV photoelectron spectroscopic study of M2(chp)4 (M = Cr, Mo, W; chp = 6-chloro-2-oxopyridinate). J. B. English, A. J. Riechers, D. L. Lichtenberger 125. Chemistry of cobalt-chelidamate complexes. L. Yang, D. C. Crans, A. la Cour, S. M. Miller, Ο. P. A. Anderson 126. Toward the development of luminescent platinum group complexes. R. Eisenberg, J. Houlis, Z. J. Tonzetich 127. Photoluminescence quenching of silicon nanoparticles in polymer matrices. T. A. Schmedake, K. Vu, M. J. Sailor 128. Photophysical properties of zinc com plexes containing diimine quinone ligands. C. L. Dollberg, C. Turro 129. New chiral derivatives of the group 4 and 5 metals. S. Schweiger, M. Thorn, I. P. Rothwell 130. Effective dicopper(ll) complexes of ami no acid derivatives as models of monooxygenase. X. Wang, J. J. Vittal, J. D. Ranford 131. Resonance Raman studies of hydroxylamine oxidoreductase and model com plexes. A. A. Bhuiyan, D. M. Arciero, A. B. Hooper, D. F. Bocian 132. Metal-containing amino acids and pep tides. Y. Tor, G. Yang 133. Kinetics and mechanism of reactions of sulfur containing amino acids with tetrachloroplatinate(ll) anion. B. R. Morgan, L. E. Erickson 134. Synthesis, characterization, and DNA interaction studies of new bridged dipalladium complexes. K. Akdi, R. Vilaplana, S. Kamah, F. Gonzalez-Vilchez 135. Photoelectron spectroscopy of cisplatin derivatives: The nature of the Pt-L bond (L = NH 3 , NMe3, pyridine). C. A. FraserGaston, N. E. Gruhn, D. L. Lichtenberger, J. H. Enemark, M. S. Davies

M Materials ΎΓ Medicinal & Pharmaceutical • Petroleum, Fuels & Related Chemistry ^ Presidential Series

128

C & E N / M A R C H 5, 2 0 0 1


136. Mechanisms of lead binding to structur al zinc-binding domains. J. S. Magyar, H. A. Godwin 137. Chromium(lll) cyclam complexes for photochemical delivery of nitric oxide. F. DeRosa, M. A. DeLeo, P. C. Ford 138. Biszinc diporphyrin dibenzofuran as a receptor for pyrimidines. Y. Deng, D. G. Nocera 139. Formation and reactivity of the elusive species Fe(porphyrin)N02. K. Wedeking, I. M. Lorkovic, C. F. Works, P. C. Ford 140. Transition-metal-based coordination complexes for DNA probing. G. G. Melikyan, B. Riahi, M. Libardoni, P. Toure, B. Bales 141. Synthesis of a magnetic resonance probe for the detection of in vivo β-glucoronidase activity. J. A. Duimstra, T. J. Meade 142. Developing new metal-based chemistry for dentifrice formulations. M. C. Barret, K. C. Molloy 143. Studies of hydrogen-bonding interac tions in transition-metal complexes. D. A. Lev, D. B. Grotjahn, M. Lam, A. L. Rheingold 144. Electron tunneling in phenylene rods. R. M. Villahermosa, D. Kuciauskas, E. I. Mayo, N. S. Lewis, J. R. Winkler, H. B. Gray 145. Guest and counterion dependence in the assembly of hybrid metal-ligand supramolecular clusters. D. W. Johnson, X. Sun, Ε. Η. Wong, Κ. Ν. Raymond 146. Tunable chirality in metallosupramolecular assemblies. R. M. Yeh, D. W. John son, M. Ziegler, K. N. Raymond 147. Novel supramolecular assemblies with chiral and achiral ligands: Synthesis and characterization. X. Yang, J. J. Vittal 148. Solution thermodynamics of supramo lecular host-guest encapsulations. M. Michels, K. N. Raymond 149. Guest-exchange kinetics of an Μ4Ι_6 su pramolecular host. A. V. Davis, D. L. Caulder, Κ. Ν. Raymond 150. Investigations of 5'-labeled ruthenium nucleotides as electron acceptor complex es. J. Miller, N. Frank, T. J. Meade 151. Many guises of lithium chloride: Crystal structure of the single-strand polymer (LiCI-2MeCN). T. Chivers, A. Downard, M. Parvez, G. Schatte 152. Evaluation of metal-CN ς and π interac tions by photoelectron spectroscopy. C. A. Fraser-Gaston, N. E. Gruhn, D. L. Lichtenberger, J. H. Enemark 153. Coordination modes of 2-(inden-3-yl)4,6-di-terf-butylphenol. L. Turner, M. Thorn, I. P. Rothwell, R. Chesnut 154. Synthesis and properties of a novel family of coordination compounds. Y. Tor, E. C. Glazer 155. Synthesis and structure of tetraorganylphosphonium diorganyltrichlorostannates. H. Zimmer, O. A. Homberg, D. We ber, A. Eisengràber-Pabst, J. A. KrauseBauer 156. Synthesis, structural, and spectroscopic characterization of frans-[Mo(0)(X)(py)4]+ (X = OH, F). J. Bendix, H. Birkedal 157. Bifunctional agents for fluorescence and magnetic resonance imaging. B. P. Johnson, T. J. Meade 158. Cluster-supported synthesis of conjugated diimines. J. A. Dopke, K. Morris, D. F. Gaines 159. Mechanistic studies of the 4-electron reduction of cis/trans azobenzene. M. Lentz, I. P. Rothwell, J. Vilardo 160. Reactions of potassium ferrate(VI) with nitrogen and phosphorus centers. M. D. Johnson, B. J. Hornstein 161. Homo- and hetero-metallic thallium alkoxides: A solid-state and solution 205NMR study. T. J. Boyle, C. A. Zechmann, T. M. Alam, D. P. Land, M. A. Rodriguez, B. L. Scott

162. Solid-state lead-207 NMR studies of lead-sulfur and lead-selenium systems. D. L. Perry, D. I. Martinez, C. Dybowski, S. Bai, A. Glatfelter, S. E. Van Bramer, G. Neue 163. Synthesis and characterization of 1,4,7triazacyclononane derivative of calix[4]resorcinarene and complexation to Co and Fe. Q. Wu, M. O. Meng, R. G. Harrison 164. Synthesis of an expanded sexipyridine as a new conjugated macrocyclic ligand. M. R. Tomchuk, S. C. Rasmussen 165. Novel bridging ligand systems based on diazine linkers. R. P. Thummel, D. S. Brown, S. Muranjan, Y. Jang 166. Synthesis and electronic structures of metal-containing carbon rods. R. E. Da Re, M. D. Hopkins 167. Driving force and solvent isotope effects in proton-coupled electron transfer. R. J. Browne, A. G. Lappin 168. Investigations of ligand reactivity in Co(lll)-NHase model complexes. L. A. Tyler, M. Olmstead, P. K. Mascharak 169. Structural studies of Cu(PCPH). S. Morehouse, C. Coopper, H. Suliman, B. Bridgewater, G. Parkin 170. Synthesis of copper(ll) complexes of new polypyridine ligands with carboxamido groups: Interconversion of the monomeric and ligand-shared dimeric complexes. J. M. Rowland, M. Olmstead, P. K. Mascharak

SUNDAY EVENING Section A Convention Center Room 10 Award Symposium: John Zhang Faculty Fellowship Award in Solid-State Chemistry

P. K. Dorhout, Organizer S. M. Kauzlarich, Presiding 7:30—Introductory Remarks. 7:40—171. Chemical design and control of magnetic properties of nanoparticles from magnetic couplings. Z. J. Zhang 8:00—172. Alloys and compounds in the C-Si-Ge-Sn system. J. L. Taraci, J. Kouvetakis, J. B. Toile 8:20—173. Controlled doping of semiconducting materials by chemical vapor processing utilizing designed precursors. W. S. Rees Jr. 8:40—174. Superprotonic phase transition of CsHS0 4 : A molecular dynamics simulation. Y. H. Jang, L. Yang, C. R. I. Chisholm, W. A. Goddard, S. M. Haile 9:00—175. Synthesis of new perovskites by topochemical reactions of layered precursors. R. E. Schaak, T. E. Mallouk 9:20—176. Teaching with ferrofluids. J. G. Breitzer, C. G. Widstrand, A. B. Ellis, G. Lisensky, S. M. Condren, D. J. Campbell, K. J. Nordell 9:40—177. Cement hydration inhibition: In situ creation of composite structures. A. R. Barron, M. Bishop, S. G. Bott 10:00—178. Optical sensing with semiconductor and metallic nanoparticles. C. J. Murphy

Section Β Convention Center Sails Pavilion Organometallics, Catalysts, Transition Metals, and Symposia Poster Session

D. C. Crans, Organizer, Presiding 7:00-9:00 179. Phosphate and carboxylic ester hydrol ysis by lanthanide complexes of bis-tris propane. P. Gomez-Tagle, A. K. Yatsimirsky 180. Phosphodiester cleavage by lanthanide complexes of /V-bis(2-hydroxyethyl)glycine. A. Calderon, A. K. Yatsimirsky

181. Pentahydro-2-azepinone anion chemis try of organoyttrium and organolanthanide complexes. W. J. Evans, C. H. Fujimoto, J. W. Ziller 182. Self-assembly of bimetallic complexes containing lanthanides and hexacyanometallates. P. K. Yuen, Z. Y. Zhou, C. M. Che 183. Synthesis and structure of tris(alkyl- and silyltetramethylcyclopentadienyl) complex es of lanthanum. W. J. Evans, J. W. Ziller, B. L. Davis 184. Synthesis and structure of lanthanide amidinates as precursors for chemical va por deposition of lanthanide-doped semi conductors. D. Back, M. J. Heeg, C. H. Winter 185. Cerium(IV) complexes based upon salen and tetrahydro-salen ligands. P. K. Yuen, K. K. Cheung, C. M. Che 186. 15N and 13C NMR study of lanthanide ion coordination. A. Fratiello, V. KuboAnderson, T. Ferguson, R. A. Lee, M. Patrick, R. D. Perrigan, T. Porras 187. Stability and selectivity: Gd(lll) complex es of TREN-6-Me-3,2-HOPO. M. Melchior, D. M. J. Doble, Κ. Ν. Raymond 188. Synthesis of cellularly permeable MR contrast agents. M. J. Allen, T. J. Meade 189. Photoelectron spectroscopy of tris(pentamethylcyclopentadienyl) lanthanide and actinide complexes. T. G. Bill, D. L. Lichtenberger, W. J. Evans, Ν. Ε. Gruhn 190. Comparison of the aqueous actinide and lanthanide coordination chemistry of dihydroxyterephthalamide, dihydroxybenzenesulfonamide, and hydroxypyridinone ligands. J. D. Van Horn, Κ. Ν. Raymond, E. Radkov 191. F-element coordination chemistry of N-heterocyclic carbene ligands. S. M. Old ham, W. J. Oldham Jr., B. L. Scott, A. R. Schake, D. A. Costa, W. H. Smith 192. Development of 2,3-dihydroxyterephthalamides as actinide chelators. C. J. Gramer, Κ. Ν. Raymond 193. Coordination trends in alkali metal crown ether uranyl halide complexes. J. Danis, L. Mavis, W. Runde, B. Eichhorn 194. Synthesis of new poly(lactic acid) microstructures using aluminum-based cata lysts. G. W. Coates, T. M. Ovitt 195. First structurally characterized group 13 epoxide complexes: Structural evidence of high propensity of epoxide to double coor dination. J . Lewinski, J. Zachara, P. Horeglad, J. Lipkowski, I. Justyniak 196. Investigation of the Lewis acidity and hydrogen bonding of benzoboroxoles. S. R. Moen, P. Kiprof, V. V. Zhdankin, J. Carlson, K. Riess 197. Mono- and dinuclear olefin polymeriza tion at aluminum. P. H. M. Budzelaar, G. Talarico 198. Synthesis and reactivity of novel ruthe nium complexes supported by chelating amido ligands. T. A. Betley, J. C. Thom as, S. B. Harkins, S. D. Brown, J. C. Pe ters 199. Reversible α-elimination in the conver sion of N-CH 3 to N-CH=lr by double C-H activation. J. Chen, D-H. Lee, J. H. Faller, R. H. Crabtree 200. Progress toward photoinduced twoelectron transfer: Tuning the electronic structures of Pt(ll) complexes with a monoanionic tridentate aryldiamine ligand. H. Jude, A. Reichert, J. Rennekamp, J. Krause Bauer, W. B. Connick 201. Chemistry of water-soluble Pt-diimine complexes relevant to C-H bond activa tion. C. Balzarek, J. A. Labinger, J. E. Bercaw 202. Synthesis and reactivity of late-tran sition-metal complexes supported by quinoline-based ligands. S. D. Brown, S. B. Harkins, T. A. Betley, J. C. Peters 203. Dimetallocalix[8]arene complexes bear ing pendant amino and Schiff base groups. C. Redshaw, M. R. J. Elsegood 204. New high-valent titanium arene com plexes. P. Kiprof, E. K. Kalombo, M. Burand, J. Kallestad, D. D. Fansler, K. Riess

205. Titanium complexes containing mono anionic and dianionic tridentate Schiff base ligands. P. Goh, V. C. Gibson 206. Application of Bayesian NMR analysis to high-accuracy isotope effect estimation. F. A. Zhuravlev, K. P. Gable 207. Synthesis, structure, and molecular or bital calculations of vanadium(lll) pyrazolato complexes. K. R. Gust, J. E. Knox, M. J. Heeg, H. B. Schlegel, C. H. Winter 208. Chromylchloride oxidation of alkenes: Stable Cr(V) intermediates. T. Strassner, M. Muehlhofer 209. Experimental evaluation of metal-halide interactions in hydrotris(3,5-dimethyl-1pyrazolyl)borato oxomolybdenum halide complexes by gas-phase photoelectron spectroscopy. H. K. Joshi, N. E. Gruhn, D. L. Lichtenberger, J. H. Enemark 210. Role of ion pairing in the thermodynam ics and kinetics of polyoxometallate redox reactions. V. A. Grigoriev, I. A. Weinstock, C. L. Hill 211. Synthesis of metal-diazoalkane com plexes via oxo metathesis reactions. C. G. Hamaker, E. A. Maatta 212. Nitrogen atom transfer from manganese(V)nitrido to rhenium(lll) complexes. R. A. Eikey, M. Abu-Omar 213. Oxo aryl complexes of osmium(VI). M. K. Lau, J. L. C. Chim, I. D. Williams, W. T. Wong, W. H. Leung 214. Charge transfer on the IR time scale in mixed-valence hexaruthenium complexes. J. C. Salsman, C. H. Londergan, S. Ronco, C. P. Kubiak 215. Toward a better understanding of 1 H NMR in paramagnetic Ru(lll) complexes: Influence of stereochemistry and charge in [Rum(A)x(Py)6_x]n+, where A = NH 3 , CI. G. Chassé, S. Hénault, A. L. Beauchamp 216. Excited-state acid-base chemistry: Exciplex formation between silver and ruthenium(ll) diimines complexes. H. D. Gafney, J. L. Zambrana, C. Hicks, N. Stevens 217. Coordination chemistry of copper. S. Kah wah, J. D. Ranford 218. Structure and magnetic behavior of (dmbp)Cu2X4. R. D. Willett, C. Nagy, C. Galeriu, C. P. Landee 219. Synthesis and coordination chemistry of two [17]-membered macrocycles containing mixed-donor atoms. M. Vetrichelvan, Y-H. Lai, K. F. Mok 220. Synthesis, characterization, and photophysical properties of a series of supramolecular mixed-valence compounds. B. W. Pfennig, V. A. Fritchman, K. A. Hayman 221. New chemistry of sterically encumbered phosphites and phosphines. C. Dignam, J. Jiang, M. Millar 222. 1,3,5-Triazacyclohexane complexes of chromium as homogeneous model systems for the Phillips catalyst. S. Mihan, D. Lilge, R. Kohn, G. Seifert, G. Kociok-Kohn 223. Double deprotonation of a cyclopentadienyl alkene to form a polydentate trianionic cyclopentadienyl allyl ligand system. W. J. Evans, J. C. Brady, J. W. Ziller 224. Synthesis of indenyl amido titanium complexes and their evaluation in propylene polymerization. C. Grandini, L. Resconi 225. Stereocontrol mechanisms for C r symmetric metallocene olefin-polymerization catalysts. S. J. Schofer, P. J. Chirik, J. E. Bercaw 226. Cubic cluster catalysts. R. M. Kissling, M. R. Gagné 227. Synthesis and NMR studies of sulfonated zirconium phosphonates. Z. Wang, A. Clearfield 228. Immobilization of [Fe(tpa-5-COOH)(CH3CN)2]2+ on silica gel as an efficient catalyst for olefin epoxidation and cisdihydroxylation. J. Kim, A. Stein, L. Que Jr.

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229. Catalytic transfer hydrogénation of ketones by terpyridyl ruthenium(ll) complexes with monodentate 2-pyridonato and 2-pyrrolidinonato ligands. P. P. Phengsy, E. P. Kelson 230. Synthesis of heterobimetallic complexes and their application on catalytic hydrogénation of carbon dioxide. M. L. Man, C. P. Lau 231. Structural characterization, magnetic properties, and catalytic reactivity of divalent nickel and cobalt complexes of a tetradentate mesocyclic ligand. J. A. Halfen, D. C. Fox 232. Mechanistic studies of the alternating copolymerization of C 0 2 and cyclohexene oxide and polymerization of lactide using β-diiminate zinc complexes. D. R. Moore, G. W. Coates 233. Cleavage of a phosphodiester by a silica-bound copper(ll) macrocycle. Β. R. Bodsgard, J. Ν. Bursty η 234. New chiral copper complexes for cata lytic nitrene transfer reactions. J. A. Hal fen, M. Cea Plaza 235. Development of new β-diiminate cadmi um and tin complexes as catalysts for the ring-opening polymerization of heterocy clic monomers. P. D. Hustad, G. W. Coates 236. Incorporation of metal oxidation cata lysts in sol-gel matrices. D. E. Wickline Jr., E. L. Lebeau 237. Monoalkyl and olefin complexes of M n Cu supported by monoanionic NN donor ligands. T. H. Warren, X. Dai, J. E. McDermott, H. L. Wiencko 238. Investigations of the reactivity of the silicon-bridged [1]ferrocenophane Fe(r|C5H4)2SiMeH toward dicobaltoctacarbonyl. A. Berenbaum, F. Jâkle, A. Lough, I. Manners 239. Synthesis and reactivity of ruthenium bis(8-quinolinyl)amide complexes. B. Qian, T. A. Betley, J. C. Peters 240. Synthesis and nucleophilic substitution reactions of dicationic ruthenium and iridium arene complexes with polyhalogenated arènes. D. J. Burkey, H. S. Chae 241. Selectivity of H-D exchange activity catalyzed by Rh(F28TPP). S. G. DiMagno, A. P. Nelson 242. Synthesis, characterization, and C-H activation reactivity of bis(ethylene)boratabenzene rhodium complexes. D. H. Woodmansee, G. C. Bazan, X. Bu 243. Transfer hydrogénation and isotopic exchange reactions catalyzed by [C5Me5Rh(CH2=CH2SiMe3)2]. D. T. DiSalvo, C. P. Lenges, M. Brookhart 244. 19 F NMR reporter ligands in anionmetathesis equilibrium studies of Rh(l) systems. N. W. Hoffman, E. A. Cioffi, H. T. Huynh, N. D. Ledford, M. Laurilla, S. A. Miller, C. B. Morris, J. R. Ream 245. Heterolytic dihydrogen activation in iridium compounds. K. Gruet, D-H. Lee, A. Macchioni, C. Zuccaccia, R. Crabtree 246. Diastereomerically pure palladium complexes: Stereochemistry of P-C reductive elimination. J. R. Moncarz, D. S. Glueck 247. Palladium-catalyzed asymmetric phosphination of phenyl triflate. J. R. Moncarz, D. S. Glueck

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248. Synthesis and characterization of dimeric palladium complexes with bridging pyrazole ligands. S. Van, D. B. Grotjahn, D. Combs, T. Concolino, K-C. Lam, A. L. Rheingold 249. Synthesis of palladium and platinum complexes containing dimesitylphosphine ligands. E. M. Pelczar, D. S. Glueck 250. Arene C-H activation as a route to platinum(IV) aryl dihydride complexes. S. Reinartz, P. S. White, M. Brookhart, J. L. Templeton 251. Direct observation of C-N reductive elimination from Pt(IV). A. D. Getty, R. K. Newkirk, K. I. Goldberg 252. Enantioselective Diels-Alder catalysis by BiphepPtBINOL. J. J. Becker, M. R. Gagné 253. Neutral Pt(ll) alkyl/olefin complexes: Model systems for Ni(ll) oligomerization/ polymerization catalysts. T. R. Younkin, R. H. Grubbs, L. M. Henling, M. W. Day 254. Reaction chemistry of platinum(ll) oxo complexes with ethylene and diphenylacetylene promoted by water. B. W. Flint 255. Thermally robust catalysts with tridentate pincer CNC biscarbene ligands. J. A. Loch, E. Peris, T. Dube, J. Mata, R. H. Crabtree 256. Linkage isomers of tungsten carbonyl complexes of Ph2PCH2PPhCH2PPh2. R. L. Keiter, E. A. Keiter, C. Gamage, R. C. Bailey, J. R. Kuczynski 257. Mononuclear stannylene- and germylene-substituted tungsten carbonyls. H. B. Abrahamson, H. C. Marxen 258. Manganese-mediated activation of C-X bonds (X = C, Se) in biphenylene and selenophene. K. Yu, G. Carpenter, D. A. Sweigart 259. Electrochemistry of Ru2Cp2(CO)4 and Ru2Cp2(CO)3(PMe3) to determine metalhydrogen-metal bond dissociation enthalpies. K. M. Rourke, C. Nataro 260. Organometallic chemistry at the edge of polycyclic aromatic carbon compounds. P. R. Sharp, D. Chen, J. S. Brown 261. Reactions of cyclic symmetrical diols with dinuclear molybdenum compounds. E. J. Voss, M. R. Burgess 262. Synthesis and reactivity of ReH(SH)2(PMe3)4. D. E. Schwarz, T. B. Rauchfuss, J. A. Dopke 263. Transformation of the silica-supported tantalum hydride (SiO) 2 TaH into the (SiO)3Ta complex. M. Chabanas, G. Saggio, M. Taoufik, A. de Mallmann, J. Thivolle-Cazat, J-M. Basset 264. Synthesis, characterization, and properties of the silica-supported trimethylphosphine tantalum hydride (SiO)2TaH(PMe3). C. Copéret, M. Taoufik, G. Saggio, A. de Mallmann, J. Thivolle-Cazat, J-M. Basset 265. Mechanism of Si-C and C-H bond activation by lanthanide complexes. I. Castillo, T. D. Tilley 266. Self-assembly of a 2-D coordination polymer from (/^-semiquinone^niCOta. M. Oh, G. B. Carpenter, D. A. Sweigart 267. Novel ferrocenediyl ligands: Their metal complexes and potential to catalyze olefin polymerization. C. K. Williams, V. C. Gibson, N. J. Long, A. J. P. White, D. J. Williams 268. Functional group compatibility of ruthenium-based olefin metathesis catalysts: Reactivity with functional groups other than olefins. T. M. Trnka, R. H. Grubbs 269. Synthesis and reactivity studies of bimetallic manganese tricarbonyl-capped metallocenes. H. Li, E. J. Watson, K. L. Virkaitis, A. J. Nowak, K. Yu, J. S. D'Acchioli, D. A. Sweigart 270. Chemistry of a dimeric cyclic vanadium nitrido complex: Formation and ring-opening reactions of [(n-C5Me5)V(//-N)CI]2. R. D. Gipson, D. E. Insko, N. M. Doherty

271. Complexation and synthesis of new organic ligands with proton donating groups for the hydrolysis of peptide bonds. G. E. Boldt, D. Combs, D. B. Grotjahn, A. L. Rheingold, C. Incarvito 272. Metal-carbon stretching frequencies in methyl complexes of Rh, Ir, Ga, and In with porphyrins and a tetradentate pyridine-amide ligand. W. H. Leung, W. Lai, M. K. Lau, V. Chong, W. T. Wong, N. T. Yu 273. Serendipitous formation of planar chiral 1,2-ferrocendiylazaphosphinines. T-J. Kim, E-S. Ryu 274. Synthesis and characterization of B3deaza-adenosylcobalamin. S. Zou, D. Griffith, K. L. Brown 275. Synthesis of rhenium(l) hydrosulfide complexes, fac-(CO) 3 (P-P)ReSH. J . Cook, J. Sturgis, J. Krause-Bauer, S. K. Mandai 276. Synthesis and characterization of Cp*MTp and CpMTp complexes of firstrow transition metals. T. J. Brunker, D. O'Hare, A. R. Cowley 277. Relative π-bonding capability of n 2 alkynes to a transition-metal center: A photoelectron spectroscopic study. L. J. Michelsen, N. E. Gruhn, D. L. Lichtenberger 278. Electronic effects of methyl substitution in ferrocene. J. K. Padden Metzker, D. L. Lichtenberger, G. P. Darsey 279. Synthesis and characterization of a dirhodium(ll,ll) compound. B. Han, Κ. Κ. Kutz, K. M. Kadish, J. L. Bear 280. Transition-metal complexes of a redoxactive salen ligand. A. Shafir, J. Arnold 281. Chiral, porous lanthanide phosphonates for enantioselective catalysis and separa tions. W. Lin, O. R. Evans, H. Ngo 282. Development of unimolecular nanocatalysts using dendrimer-bound metal com plexes. T. Mizugaki, M. Ooe, M. Murata, K. Ebitani, K. Kaneda 283. Heterogeneous aerobic alcohol oxida tion and Heck reaction with palladiumgrafted hydroxyapatite catalysts. K. Yamaguchi, K. Mori, T. Hara, T. Mizuga ki, K. Ebitani, K. Kaneda 284. Immobilization of well-defined chiral Ru complexes to mesoporous silica foam through achiral ligands for asymmetric hy drogénation reactions. D. Huang, J. S. Lettow, B. J. Schultze, J. Y. Ying 285. Microheterogenization of catalytically active rhodium complexes by ionic binding to charged polymer nanoparticles. S. Mecking, E. Schwab, R. Thomann 286. Preparation, characterization, and catalytic activity of Schiff base complexfunctionalized layered organosilicates. I. L. Lagadic, S. N. Thomas 287. Silica-bound NCN-pincer complexes as Lewis acidic catalysts. R. J. M. Klein Gebbink, C. Bezemer, G. van Koten 288. Triosmium cluster complexes with a fluorous phosphine ligand. J. R. Shapley, T. Malosh, A. Hejl

MONDAY MORNING Convention Center Room 6A Award Symposium: Plenary Lectures

D. C. Crans, Organizer Β. Ε. Bursten, Presiding 8:00—289. Award Address (ACS Award for Research at an Undergraduate Institution, sponsored by Research Corporation). Por phyrin assembly formation on helical biopolymers. R. F. Pasternack 8:45—290. Award Address (ACS Award in Inorganic Chemistry, sponsored by Aldrich Chemical Co. Inc.). Geometric and elec tronic structure contributions to function in bioinorganic chemistry: Active sites in nonheme iron enzymes. E. I. Solomon

9:30—291. Award Address (George C. Pimentel Award in Chemical Education, sponsored by Union Carbide Corp.). Cop per coordination and electron transfer in blue proteins. H. B. Gray 10:15—292. Award Address (ACS Award in Organometallic Chemistry, sponsored by Dow Chemical Co. Foundation). Half cen tury of nonclassical organometallic chem istry. F. A. Cotton 11:00—293. Award Address (ACS Award in the Chemistry of Materials, sponsored by DuPont Co.). Molecule-based routes to functional materials. T. J. Marks 11:45—294. Award Address (ACS Award for Distinguished Service in the Advance ment of Inorganic Chemistry, sponsored by Strem Chemicals). Gold: A quarter cen tury of exciting chemistry. J. P. Fackler, M. A. Omary, A. Burini, R. J. Staples, T. A. Grant, W. Van Zyl

MONDAY AFTERNOON Section A Convention Center Room 10 Molecular Engineering for Phase-Separable Catalysts

N. S. Radu, Presiding 2:00—295. New polymerization processes for transition-metal-mediated living radical polymerization. D. M. Haddleton 2:35—296. Atom-transfer radical polymeriza tion of methyl methacrylate with polyethylene-functionalized ligands. M. E. Pallack, S. Liou, W. J. Brittain 3:10—297. Metal complexes with macroligands: Implications for polymer-supported catalyst design. C. L. Fraser, P. S. Corbin, R. M. Johnson, A. P. Smith, X. Wu 3:45—298. Macroporous organic polymers as hosts for late-metal catalysts: Molecular imprinting effects in catalysis. M. R. Gagné, S. Vinson 4:20—299. Beyond fluorous biphasic catalysis: New fluorous techniques to catalyze organic reactions. D. P. Curran Section Β Convention Center Room 14A New Developments in the Chemistry of Group 13

F. P. Gabbaï, Presiding 1:30—300. Some recent developments in low-valent group 13 chemistry. A. H. Cowley 2:15—301. Synthesis and reactions of the gallium(l)carbeneanalogGa[(NDippCMe)2CH]. P. P. Power, N. J. Hardman 2:45—302. Gallium-gallium bonds as readily accessible synthetic and structural units. G. H. Robinson 3:15—303. Electronic and steric design of novel group 13 Lewis acids and their synthesis via metal-tin exchange reactions. J . J. Eisch, P. O. Otieno, K. Mackenzie, B. W. Kotowicz 3:45—304. Boron and gallium polydentate Lewis acids: Anion complexation and reduction chemistry. F. P. Gabbaï, J. D. Hoefelemeyer 4:15—305. New look at boraamidinates. T. Chivers, J. K. Brask, C. Fedorchuk, G. Schatte 4:45—306. Synthesis and reactivity of unsymmetrical 9-borafluorenes. R. J. Wehmschulte, M. A. Khan, B. Twamley 5:15—Concluding Remarks.

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Section C Convention Center Room 8 Award Symposium: Harry Gray Cosponsored with Division of Chemical Education

R. Eisenberg, Organizer, Presiding 1:30—307. Incorporating inorganic chemistry research into the classroom. W. C. Trogler 1:55—308. From fundamental spectroscopy to current and future applications: A look at carbon nanotubes. C. M. Lieber 2:20—309. Conjugated assemblies based on metal-alkylidyne building blocks. M. D. Hopkins, C. K. Simpson, J. Sun, D. E. Haines, F. Liu 2:45—310. Luminescent platinum diimine complexes and their use in the construc tion of molecular photochemical devices. R. Eisenberg, J. E. McGarrah, Y-J. Kim, M. Hissler 3:10—311. Photocatalytic hydrogen genera tion from homogeneous solutions. D. G. Nocera 3:35—312. Design, synthesis, and character ization of vapochromic compounds for sen sors. K. R. Mann, C. Buss, L. Swenson 4:00—313. Epsilons to write home about: In organic photochemistry and chemical edu cation. A. W. Maverick 4:25—314. Mechanistic studies of photochemically degradable polymers. D. R. Tyler, D. A. Braden, E. E. Parrack, J. L. Male 4:50—315. Twists and turns in copper phenanthrolines. D. R. McMillin, J. J. Moore

Section D Convention Center Room 14B Award Symposium: Tobin Marks

M. G. Kanatzidis, Organizer W. Lin, Presiding 1:45—Introductory Remarks. M. Kanatzidis 2:00—316. Solventless syntheses with dirhodium tetraacetate. F. A. Cotton, E. V. Dikarev, M. A. Petrukhina 2:30—317. Phthalocyanine conductors: A new direction. T. Inabe 2:50—318. Superstructures in rare earth polytelluride compounds: They are "every where." M. G. Kanatzidis, R. Patschke 3:10—319. Crystal engineering of polar and chiral solids. W. Lin 3:30—320. Discrete, fluorinated anions as chemically tunable components of molec ular superconductors. J. A. Schlueter, U. Geiser, A. M. Kini, H. H. Wang, G. L. Gard 3:50—321. Second-order nonlinear optical properties of metallorganic materials. S. Di Bella 4:10—322. Simple and highly versatile syn thetic methodologies to dendritic poly mers. A. Kakkar, M. Dasgupta, O. Bourrier, B. Peori, M. Petrucci-Samija 4:30—323. Self-assembly of a modular polypeptide based on dragline silk. V. P. Conticello, Y. Qu 4:50—324. Compounds exhibiting negative thermal expansion. A. W. Sleight

Section Ε Convention Center Room 15A Organometallic: Late Transition Metal

M. Zimmer, Presiding 1:30—325. Highly active single-site catalysts with halogenated ligands. G. A. Luinstra, G. Werne 1:50—326. Novel redox-active macrocycles containing the ferrocene unit. M. Wagner, L. Ding, K. Ma

2:10—327. Conversion of isocyanates to carbodiimides catalyzed by cyclopentadienyl iron dicarbonyl dimer. A. K. F. Rahman, Κ. Μ. Nicholas 2:30—328. New donor heteroatom-substituted ferrocenes: Metal complexes to ward catalysis. N. J. Long 2:50—329. Synthesis and reactivity of octa hedral ruthenium(ll) amido and ruthenium(IV) imido complexes. T. B. Gunnoe, K. N. Jayaprakash, D. Conner, P. D. Boyle 3:10—330. New insights into the mechanism of ruthenium-catalyzed olefin metathesis reactions. M. S. Sanford, R. H. Grubbs 3:30—331. Geminal dehydrogenation of ali phatic ethers and amines by Ru(ll) and Os(ll). K. G. Caulton, J. N. Coalter III, G. Ferrando, H. Gerard, O. Eisenstein 3:50—332. Ene-coordinated metal-enediyne complexes. J. M. O'Connor, L. I. Lee, A. L. Rheingold, D. Fandrick, T. Tran, P. Gantzel, B. T. Donovan-Merkert 4:10—333. Reactions of cycloproparenes with metal carbenes. V. A. Litosh, R. K. Saini, I. Y. Guzman-Jimenez, K. H. Whitmire, W. E. Billups 4:30—334. RuCI2(PPh3)3 and hydrosilanes: Travels along a very bumpy reaction man ifold. F. R. Lemke, N. M. Yardy, J. L. Pe tersen, L. Brammer 335. Withdrawn. 4:50—336. Synthesis and reactivity of an isolable 16-electron osmium complex (CsMesKP'Pr^OsBr. P. B. Glaser, T. D. Tilley

Section F Convention Center Room 15B Transition Metal

Κ. Ν. Raymond, Presiding 1:30—337. Nucleophilic carbene adducts of transition metals. C. D. Abemethy, P. Shukla, A. H. Cowley, R. A. Jones, L. K. Thompson 1:50—338. In situ anomalous small-angle X-ray scattering of LiMn 2 0 4 during electro chemical delithiation. A. Braun, S. Seifert, E. J. Cairns 2:10—339. Catalytic deoxygenation of ep oxides with rhenium(V) compounds: Kinet ic analysis and identification of the catalytically active species. E. C. Brown, K. P. Gable 2:30—340. Kinetic isotope effects in rhenium diolate cycloreversion reveal unexpected bond cleavage asymmetry. F. A. Zhuravlev, K. P. Gable 2:50—341. Synthesis of metal-organoimido monomers and polymers. C. G. Hamaker, A. M. Beatty, E. A. Maatta 3:10—342. Ferrocene-based tris(1 -pyrazolyl)borates. M. Wagner, S. Guo 3:30—343. Determination of the equilibrium constant between charge-transfer isomers in asymmetric mixed-valence complexes. C. H. Londergan, C. P. Kubiak, T. Ito 3:50—344. Reactivity of ruthenium(ll) com plexes. C. Pariya, C. D. Incarvito, A. L. Rheingold, K. H. Theopold 4:10—345. Novel polydentate bridging li gands for the study of metal-metal com munication: 1,2-bis(2-pyridylcarbonyl)hydrazine. W. Kaim, A. Knoedler 4:30—346. Toward a better understanding of 1 H NMR in paramagnetic Ru(lll) complex es: Influence of the L' ligand in cis- and frans-[Ru"l(NH3)4(Py)(L')r. G. Chassé, A. L. Beauchamp 4:50—347. Transition-metal hydrides vs. transition-metal halides in the formation of metallaboranes. M. A. Peldo, T. P. Fehler, S. Ghosh Biotech/Bioinorganic Interface cosponsored with Biotechnology Secretariat (see page 69)

M O N D A Y EVENING Convention Center Sails Pavilion Sci-Mix

D. C. Crans, Organizer, Presiding 8:00-10:00 86, 87, 89, 90, 92, 96, 97, 99, 100, 102, 104, 109, 110, 115, 118, 119, 123, 124, 125, 126, 132, 133, 135, 136, 137, 143, 146, 147, 154, 155, 158, 161, 162, 163, 165, 199, 206, 209, 221, 225, 237, 250, 251, 257, 260, 271, 284. See previous listings. 448, 449, 451, 455, 459, 468, 472, 474, 475, 481, 483, 488, 494, 499, 502, 506, 524, 525, 528, 530, 531, 532, 533, 539, 540, 550, 551, 554, 556, 693, 709. See subsequent listings.

TUESDAY MORNING Section A Convention Center Room 10

Section C Convention Center Room 8 Award Symposium: Harry Gray Cosponsored with Division of Chemical Education J. R. Winkler,

New Developments in the Chemistry of Group 13

F. Jâkle, Presiding 8:30—348. Conjugate additions of arylalkyland arylalkenylboranes. T. E. Cole, F. Mizori 8:50—349. Distortions from octahedral symmetry in hypoelectronic six-vertex polyhedral clusters of the group 13 elements boron, indium, and thallium as studied by density functional theory. R. B. King, I. Silaghi-Dumitrescu, A. Kun 9:10—350. Ferrocene-based bidentate Lewis acids. F. Jâkle 9:30—351. Group 13 metallocenium cations. C. L. B. Macdonald, J. D. Gorden, A. Voigt, A. H. Cowley 9:50—352. Low-temperature solvothermal route to gallium nitride nanoparticles. L. Grocholl, J. Wang, E. G. Gillan 10:10—353. New chemistry with a vintage metallacarborane. P. A. Jelliss, F. G. A. Stone 10:30—354. Novel polydecker sandwich complexes from iron and gallium. M. Wagner, S. Scholz, H-W. Lemer 10:50—355. On the factors controlling the structure and stability of group 13 fivecoordinate complexes. J. Lewi η ski 11:10—356. Reversible binding of a Lewis base to a gallium aryloxide polymer: An example of a molecular sensor. L. van Poppel, S. G. Bott, A. R. Barron 11:30—357. Structural characterization of the industrially significant zinc borate Zn[B 3 0 4 (OH) 3 ]. D. M. Schubert, F. Alam, M. Z. Visi, C. B. Knobler 11:50—358. Synthesis, electronic structure, and novel reactivity of strained, boronbridged [1]ferrocenophanes. A. Berenbaum, H. Braunschweig, R. Dirk, U. Englert, J. C. Green, F. Jâkle, A. Lough, I. Manners Section Β Convention Center Room 14A Impact of Solid-State and Materials Chemistry on Current Technologies Photonic and Organic Material J . T. McDevitt, D. Murphy, A. K. Cheetham, Organizers J . T. McDevitt,

10:00—361. Polar azaacenes: Dramatic gap reduction of polyacenes for device fabrication. F. Wudl 10:30—362. Self-assembly of new nanoelectronic and multifunctional conducting polymers. R. D. McCullough, J. Liu, E. Shiena, P. C. Ewbank, T. Bjorhholm, J. T. McDevitt 11:00—363. Nano- and microscale structure of conductive and nonconductive selfassembled thin films. T. Bjornholm 11:30—364. Optical materials for high-power laser systems and displays. D. A. Keszler 12:00—365. Proximity effects between hightemperature cuprate superconductors and conductive polymers. S. B. Schougaard, J. T. McDevitt

Presiding

9:00—359. Electrically driven organic solidstate lasers. J. H. Schôn 9:30—360. "Plastic electronics" revolution: Opportunities based on semiconducting and metallic polymers. A. J. Heeger

Presiding

8:30—366. Engineering excited-state polarization, collective oscillator behavior, and superradiance in multichromophoric systems. H. T. Uyeda, V. S-Y. Lin, S. A. Williams, T. Troxler, M. J. Therien 8:55—367. His93Gly myoglobin as a versatile template for modeling ferrous, ferric, and ferryl mixed-ligand heme states. J. H. Dawson, A. E. Pond, M. P. Roach, M. R. Thomas, S. G. Boxer 9:20—368. Electron transfer in DNA ionic liquids. H. Thorp, A. Leone, R. W. Murray 9:45—369. Electronic structures of -yl ions: From vanadium to the oxo-wall. J. R. Winkler 10:10—370. Mitochondrial Fe-S cluster assembly. J. A. Cowan 10:35—371. Visualizing gene expression and secondary messenger activation by MR imaging. T. J. Meade 11:00—372. Spectroscopic methods in bioinorganic chemistry. E. I. Solomon 11:25—373. Teaching communication skills in the "age of information." R. A. Scott 11:50—374. Scanning tunneling microscopy of functional groups: Substituted alkanes and alkanols on graphite. N. S. Lewis, C. L. Claypool, W. A. Goddard III, F. Faglioni, Η. Β. Gray, R. A. Marcus

Section D Convention Center Room 15A Award Symposium: Albert Cotton

R. D. Adams, Organizer, Presiding 8:30—375. Molecular design for coordinate catalysis for ring-opening polymerization of alkene oxides, lactides, and lactones and copolymerization with carbon dioxide. M. H. Chisholm 9:00—376. Some new developments in lowvalent, low-coordination-number main group chemistry. A. H. Cowley 9:30—377. Self-assembly of novel 2-D and 3-D metallacycles via coordination. P. J. Stang 10:00—378. Pentahapto vs. monohapto cy clopentadienyl ligands: Theoretical and experimental studies of the structures and dynamics of tris-Cp complexes of the group 4 transition metals. Β. Ε. Bursten, E. J. Palmer 10:30—379. Supramolecular structures based on dimetal units. F. A. Cotton, C. Lin, J. P. Donahue, C. A. Murillo 11:00—380. Unusual behavior of organome tallic selective estrogen receptor modula tors. G. Jaouen, S. Top, A. Vessieres 11:30—381. Reactive molecular crystals: Design and discovery of solid-state reac tions. B. M. Foxman



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Section Ε Convention Center Room 15B Inorganic Materials

D. C. Crans, Organizer A. R. Barron, Presiding 8:30—382. Discrete and extended metallic arrays from ligands with trigonal geome tries. J. R. Galan-Mascaros, P. S. Szalay, K. R. Dunbar 8:50—383. Impact of alkali ion chemistry on the properties of the M2(HS04)(H2P04) family of compounds (M = Cs, Rb, NH4, K). C. R. I. Chisholm, S. M. Haile 9:10—384. Crystalline and liquid-crystalline structure of surfactant-templated divalent metal halides. C. L. Keary, T. A. Thorton, M. P. Novotnak, J. D. Martin 9:30—385. CVD of boron nitride nanotubes. O. R. Lourie, C. R. Jones, Β. Μ. Bartlett, P. C. Gibbons, R. S. Ruoff, W. E. Buhro 9:50—386. Control of the aluminum oxide morphology by concentration in the cryochemical method. S. M. Aboei Mehrizy, F. Moztarzadeh, E. Sanati 10:10—387. Strengthening ceramic bodies by infiltration and surface repair utilizing carboxylate-alumoxanes. K. A. DeFriendVarela, A. R. Barron 10:30—388. Air-sphere crystals composed of gallium arsenide and gallium phosphide. J. S. Farthing, W. E. Buhro, L Bechger, W. Vos, J. E. G. J. Wijnhoven 10:50—389. Development of GaN heterostructures and quantum structures using exclusively inorganic molecular sources. L. Torrison, J. B. Tolle, J. Kouvetakis, I. S. T. Tsong, J. McMurran 11:10—390. Preparation of phase-pure cubic gallium nitride, c-GaN, by ammonothermal conversion of gallium imide [Ga(NH)3/2]n. R. J. Jouet, A. P. Purdy, R. L. Wells, J. F. Janik 11:30—391. Coordination compounds of indium-tin oxides: Synthesis and decom position studies of precursors to sensor materials. C. M. Hockensmith, J. Goldsby 11:50—392. Shaped magnetic ceramics from highly cross-linked poly(ferrocenylsilane) precursors. M. Ginzburg, M. J. MacLachlan, N. Coombs, T. W. Coyle, N. P. Raju, J. E. Greedan, R. H. Herber, G. A. Ozin, I. Manners

Section F Convention Center Room 14B Bioinorganic Chemistry: Modeling

D. C. Crans, Organizer K. D. Karlin, Presiding 8:30—393. Cu(11)-catalyzed hydrolysis of some peptide-derived ligands: A model study of carboxypeptidase A. K. J. Jawahar 8:50—394. Dioxygen activation by neutral Cu(l) complexes. T. H. Warren, X. Dai, S. Puiu, J. E. McDermott 9:10—395. Remarkable metal-promoted skeletal rearrangement of bilindione. P. A. Lord, A. L. Balch, M. M. Olmstead 9:30—396. DNA recognition by simple metal complexes: Relevant to zinc fingers in TF III A. P. R. Reddy, M. Radhika

A Catalysis •


•


9:50—397. Modeling the active-site chemis try of liver alcohol dehydrogenase using nitrogen-sulfur ligands possessing an in ternal hydrogen bond donor. L. M. Berreau, M. M. Makowska-Grzyska, R. A. Allred, S. B. Fitch, A. M. Arif 10:10—398. Synthesis, spectroscopy, and photophysics of multichromophoric 5,15bist[[4'-bis(terpyridyl)metal]ethynylporphinatot-]zinc(ll) assemblies. H. T. Uyeda, M. J. Therien 10:30—399. Zinc complexes as probes into uracil tautomerism. L. R. Falvello, M. Tomâs, I. Escorihuela 10:50—400. Predicting redox potentials of hydrogen-bonded metal thiolate complexes. M. A. Walters 11:10—401. Reactions of singlet oxygen with thiolato complexes: S-Oxidation vs. oxidative addition. M. Selke, D. G. Ho, N. Franco, E. Leverich, C. Galvez 11:30—402. New N2S(thiolate)-M(ll) complexes: Small-molecule analogs of the active site of peptide deformylase. D. P. Goldberg, S. Chang, R. C. diTargiani, V. V. Karambelkar 11:50—403. Substituent effects in metallocorroles. E. Steene, I. Halvorsen, A. Ghosh A Selectivity in Organic Chemistry and Catalysis cosponsored with Division of Organic Chemistry (see page 149)

TUESDAY AFTERNOON Section A Convention Center Room 10


Impact of Solid-State and Materials Chemistry on Current Technologies Novel Device Materials

Inorganic Catalysts

K. G. Caulton, Presiding

1:30—414. Discovery of better catalysts, electrocatalysts, and photocatalysts by combinatorial methods. G. Chen, B. C. Chan, Y. Sun, N. D. Morris, T. E. Mallouk, E. S. Smotkin, S. Sarangapani 2:00—415. Biomolecular recognition and control of nanomagnetic and semiconduc tor materials. A. M. Belcher, C. Flynn, S. Whaley, E. Gooch 2:30—416. Design of new multiferroic mate rials using computational solid-state chem istry. N. A. Hill 3:00—417. Rare earth tetrelides, RE5(Si,Ge)4: Extraordinary magnetoresponsive materi als. G. J. Miller 3:30—418. Vapor detection using arrays of conducting polymer composite chemiresistors. N. S. Lewis, S. Briglin, M. S. Freund, A. Hopkins, M. Koscho 4:00—419. Smell seeing. K. S. Suslick, N. A. Rakow, A. Sen 4:30—420. Solution-based analysis of multi ple analytes by a sensor array: Toward the development of an "electronic taste chip." J. T. McDevitt 5:00—421. Toward more efficient materials investigations: The continuous composi tional phase spread approach. L. F. Schneemeyer, R. B. van Dover

1:30—432. Copper-catalyzed tosylamidation of aliphatic C-H bonds. J. A. Halfen 1:50—433. Catalytic H/D exchange of aro matic compounds. C. S. Branch, S. G. Bott, A. R. Barron 2:10—434. Proton-deuterium exchange cat alyzed by the unusually stable arenemercury complexes. A. S. Borovik, S. G. Bott, A. R. Barron 2:30—435. Rationalization of the catalytic behavior of lanthanide oxides and molybdates in total and selective oxidation of alkenes. M. M. Devillers, F. De Smet, P. Ruiz, B. Delmon 2:50—436. Two-electron mixed-valence complexes for catalytic photochemical hydrohalic acid cleavage. A. F. Heyduk, D. G. Nocera 3:10—437. Comparison of related monomeric magnesium and zinc alkoxide and amide complexes in ring opening of lactides and related cyclic esters. K. Phomphrai, M. H. Chisholm 3:30—438. Optically active monocyclopentadienyl zirconium acetamidinates. L. A. Koterwas, L. R. Sita 3:50—439. Novel vanadium Schiff base complexes as catalysts for the reduction of dioxygen to water. Z. Liu, F. C. Anson 4:10—440. Multipurpose immobilized rhodium-phosphine catalysts. P. W. N. M. van Leeuwen, A. J. Sandee, J. Ν. Η. Reek, P. C. J. Kamer 4:30—441. Polypyridyl ruthenium(ll) cata lysts for transfer hydrogénation of ketones. E. P. Kelson, P. P. Phengsy 4:50—442. Trinuclear nickel catalysts for carbon dioxide reduction. M. J. A. Johnson, C. P. Kubiak 5:10—443. Intermediates in the disproportionation of nitric oxide catalyzed by Fe(TPP). P. J. Farmer, R. Lin

Section D

2:00—404. De novo designed heme protein maquettes: Emerging structures and elementary functions. P. L. Dutton, S. Huang, B. M. Discher, B. R. Gibney, A. M. Grosset, J. M. Schifman, F. Rabanal, C. C. Moser, M. Lewis, R. L. Koder, A. J. Wand 2:35—405. Synthetic electron-transfer metalloproteins. M. Y. Ogawa, A. Fedorova, A. Kornilova, J. F. Wishart, L. Zang 3:10—406. Molecular evolution of heme enzymes: Introducing binding sites for metals, ligands, and peptides. D. B. Goodin, J. Hirst, S. K. Wilcox, A-M. Hays, S. Vetter, A. Pond 3:45—407. Coupled transition-metal ion binding and protein folding: A stability screen for virtual metalloprotein libraries. M. A. Case, G. L. McLendon 4:20—408. Parametric approach for understanding and designing metalloproteins. G. Ghirlanda, C. M. Summa, A. Pasternak, Z. Getahun, S. Lahr, M. M. Rosenblatt, A. Lombardi, W. F. DeGrado

Section Β Convention Center Room 14A Molecular Engineering for Phase-Separable Catalysts

J. W. Scott, Presiding 2:00—409. Silica-supported metal oxoalkoxides as oxidation catalysts. S. L. Scott 2:35—410. Easily assembled and recyclable olefin metathesis catalysts. S. P. Nolan, L. Jafarpour 3:10—411. Asymmetric hydroformylation cat alyzed by polymer-supported chiral rho dium complexes. K. Nozaki, F. Shibahara, T. Hiyama 3:45—412. Polymer-supported reagents and catalysts in organic synthesis. K. D. Janda 4:20—413. Designing recoverable, reusable Heck catalysts. D. E. Bergbreiter


T. Bjomholm, Presiding

Metal-Peptide Complexes

V. J. DeRose, Organizer, Presiding

Section Ε

Section C Convention Center Room 14B

Convention Center Room 15A Award Symposium: Tobin Marks

M. R. Gagné, Presiding 2:00—422. Design and preparation of macromolecular and dendritic electro-optic chromophores. L. R. Dalton 2:20—423. MOCVD: From precursor chemistry to applications. I. L. Fragala' 2:40—424. Role of self-assembly in organic field-effect transistor fabrication. H. E. Katz, A. J. Lovinger, C. Kloc, T. Siegrist, H. Schon, J. Johnson 3:00—425. Molecular and macromolecular self-assemblies as electronic and optical materials. J. Han, S. Hightower, A. D. Q. Li 3:20—426. Multifunctional nanostructures for photonics. P. N. Prasad, S-J. Chung, T-C. Lin, C. S. Friend, J. G. Winiarz, P. P. Markowicz 3:40—427. Poly(fluorene) derivatives for OLED applications. R. D. Miller, V. Y. Lee, C. Bacilieri, A. Rozar, R. Smith 4:00—428. Evaluation of metal oxides deposited by chemical solution deposition for the computer industry. D. A. Neumayer 4:20—429. Effect of associated chiral cavities on polymer-bound metal catalysts. M. R. Gagné 4:40—430. Surface functionalization of cadmium sulfide quantum confined nanoclusters: Potential nanophase electronic devices. W. J. Pietro, J. G. C. Veinot, A. Farah, J. Galloro 5:00—431. Polymer photonics and optoelectronics. N. Peyghambarian

Teaching Inorganic Chemistry in the New Century cosponsored with Division of Chemical Education (see page 96)

TUESDAY EVENING Convention Center Sails Pavilion Bioinorganic, Inorganic Materials, Theoretical, Solid-State, and Symposia Poster Session

D. C. Crans, Organizer, Presiding 7:00-9:00 444. Biradical vs. backdonation models for metal-to-ligand electron transfer in diiminopyridine complexes of Mn-Zn. P. H. M. Budzelaar, B. De Bruin, A. W. Gal, J. H. Van Lenthe, K. Wieghardt 445. Structural preference for complexes containing both two-face and single-face π-acceptor ligands. W. H. Lam, Z. Lin 446. Theoretical determination of 99Ru mag netic properties for a series of transitionmetal-substituted base-stabilized silylene complexes. H. P. Hratchian, M. C. Milletti 447. Optics, transport, and devices: Some theoretical modeling. A. Burin, J. Hutchi son, M. A. Ratner

Ν Materials ΊΛΓ Medicinal & Pharmaceutical •


^

Presidential Series

132

C&EN / MARCH


5, 2 0 0 1


448. Mapping of DFT onto ligand-field theory, with an emphasis on π-parameters. J. Bendix, P. L. W. Tregenna-Piggott, C. A. Daul, I. Ciofini 449. Determination of excitation energies for a series of boron subphthalocyanines and subnaphthalocyanines. D. Zdravkovski, M. C. Milletti 450. Relativistic electronic structure of the lu minescent hexarhenium chalcogenide cluster ions. R. Arratia-Perez, L. AlvarezThon, L. Hernandez-Acevedo 451. Photoelectron spectroscopic studies of porphyrins: Comparisons with density functional and Hartree-Fock calculations. L J. Michelsen, N. E. Gruhn, D. L. Lichtenberger 452. Metal-metal interaction across bridging elemental carbon chains: A computational study of odd-carbon complexes. H. Jiao, J. A. Gladysz 453. C-H abstraction reactions of chromylchloride. T. Strassner 454. Computational study of phenyl and cyclopentadienyl boronium ions. W. H. Ilsley 455. Proton transfer through intermolecular H-H bonding upon reaction of proton do nors with aluminum hydride. S. Marincean, J. E. Jackson 456. Synthesis and molecular structural stud ies of a series of orthometallated aluminum-nitrogen dimers, [RAIN(f-Bu)-p(CH2C6H4)]2. O. M. Kekia, C. L. Watkins, L. K. Krannich, A. L. Rheingold, L. M. Liable-Sands 457. Reactivity studies of TI[OC6H3(CF3)2] and hydrogen-bonding behavior of HOC6H3(CF3)2. L. H. Doerrer, M. C. Buzzeo 458. Azido derivatives of low-valent group 14 elements. H. V. R. Dias, A. E. Ayers 459. Photochemical behavior of group 14 metalloles. J. L. Mullin, H. J. Tracy 460. Silicon derivatives of calix[5]arenes. M. Lattman, P. Sood, Y. Klichko, H. Zhang 461. 4-Aryl-substituted poly(alkyl/arylphosphazenes) and their precursors. R. H. Neilson, B. Wang 462. Synthesis and reactivity of cyclic methylphenylphosphazenes. P. Wisian-Neilson, J-H. Jung, R. S. Johnson 463. Thiocyanogen as an intermediate in the reaction of HOCI with thiocyanate. J. J. Barnett, D. M. Stanbury 464. 1-D crystals inside single-walled carbon nanotubes. C. Xu, J. Sloan, G. Brown, S. Bailey, S. Friedrichs, K. S. Coleman, J. L. Hutchison, R. E. Dunin-Borkowski, M. L. H. Green 465. Synthesis of gold nanoparticles with porphyrin alkylthiolate. K. Uchida, T. Nishioka, I. Kinoshita, K. Isobe, C. P. Kubiak 466. Thiol-protected gold nanoparticles. E. S. Burns, C. P. Kubiak 467. Explosive nanocrystalline porous silicon films and their use in qualitative atomic emission spectroscopy. J. D. Kirtland, F. V. Mikulec, M. J. Sailor 468. Mesoporous thin-film materials of functionalized supramolecular porphyrin-based squares as sensors for volatile organic compounds. B-C. Tzeng, G. A. Mines, J. T. Hupp 469. New insights into the synthesis of thin films of mesoporous metal oxides with or dered mesostructures. K. L. Frindell, P. Alberius-Henning, R. C. Hayward, Y-K. Hwang, Y-U. Kwon, B. F. Chmelka, E. J. Kramer, G. D. Stucky 470. Porous materials through the reaction of layered metal phosphates with metal ace tates. J. M. Heising, B. G. Shpeizer, A. Clearfield 471. Reactivity of functional groups in period ic mesoporous organosilicas. T. Asefa, M. J. MacLachlan, N. Coombs, H. Grondey, G. A. Ozin

472. Solvothermal synthesis of metal phosphonate magnetic materials. D. Cave, P. T. Wood, D. J. Price, A. K. Powell, S. O. H. Gutschke 473. Analysis of time-resolved lifetime emis sion decay data for amorphous vanadium xerogel and crystalline vanadium silicalite. D. F. Carter, D. Gormin, A. E. Stiegman 474. Hydration and surface chemistry of tricalcium aluminate and tricalcium silicate in the presence of organic admixtures. M. Bishop, S. G. Bott, A. R. Barron 475. Synthesis and characterization of functionalized polysilanylenethienylenes. P. J. Griffin, S. C. Rasmussen 476. Comparison of emission from solid-state complexes of Ag(l) and Cu(l). E. M. Holt, R. Hallford 477. Nickel determination by complexation utilizing a functionalized optical waveguide sensor. E. S. Carter, Κ. Η. Dahmen 478. Novel precursors to light element ce ramics: Synthesis of C-N compounds of boron and beryllium. C. J. Ritter III, J. Kouvetakis, B. Pleune, D. Williams 479. Organization of calcium carbonate on a multidimensional length scale. L E. Euliss, J. N. Cha, D. E. Morse, T. J. Deming, G. Stucky 480. Liquid-crystalline gold phosphine com plexes. S. A. Larkin, K. Aksenov, V. Dyadchenko, D. Lemenovskii, J. McClymer, M. R. M. Bruce, A. E. Bruce 481. Phase behavior of metal complexes of organic liquid-crystalline compounds. E. Scharrer, D. Young, M. Yoa 482. Quantitative X-ray powder diffraction study of weathered coal combustion by products. S. L. Lerach, D. G. Grier, R. B. Peterson, M. A. Wisdom, G. J. McCarthy 483. Preparation of functionalized quantum dots. R. S. Tanke, S. M. Kauzlarich, T. E. Patten 484. Preparation of 5,5':7',5"-ter(thieno[3,4£>]pyrazine)s as potential polymerizable ligands. K. A. Mitchell, D. D. Kenning, S. C. Rasmussen 485. Structure refinement of ettringite end members using powder diffraction tech niques. R. B. Peterson, E. L. Jarabek, S. L. Lerach, D. G. Grier, G. J. McCarthy 486. High-temperature, solid-state synthesis of open-framework solids containing 16-, 20-, and 24-ring microporous structures. Q. Huang, S-J. Hwu 487. Molten-salt synthesis of two new openframework zinc phosphates via salt inclu sion: C s 3 Z n 3 ( P 2 0 7 ) 2 C I (CU-7) and K3Zn3(P207)2CI (CU-10). M. Ulutagay, S. Wojcik, S-J. Hwu 488. Oxygen ordering and superconductivity in RBa 2 Cu 3 0 6 . 5 (R = Sm, Y, Er, and Yb). J. R. O'Brien, H. Oesterreicher 489. Mossbauer and IR studies of some triphenyltin 4-substituted benzoates. X. Song, G. Eng 490. Novel cyclometallated platinum com plexes as phosphors in organic lightemitting diode applications. J. Brooks, S. Lamansky, C. T. Goh, F. Abdel-Razzaq, P. I. Djurovic, M. E. Thompson 491. Oxygen nonstoichiometry and divalent metal substitutional effects on the proper ties of quasi-2-D La 5 Mo 4 0 16 . K. V. Ramanujachary, S. Lof land, W. H. McCarroll, M. Greenblatt, T. Emge 492. Replication of magnetic long-range or dering in self-assembled coordination polymers of manganese dicarboxylates. D-Y. Jung, Y. Kim, E. Lee 493. Self-assembled aggregates of photonic dyes in smectite films. M. Kostuk, M. E. Hagerman, E. W. Fiveland, T. M. Apple 494. Polar [W0 2 F 4 ] 2_ anion in the solid state. M. E. Welk, A. J. Norquist, K. R. Poeppelmeier 495. Thermal stability, electrochemistry, and spectroscopy of bis(iminostilbenyl)naphthalene isomers and their use as organic light-emitting diodes. X. Ren, D. E. Loy, P. I. Djurovich, M. E. Thompson 496. Transparent p-type conductors. D. Y. Shahriari, A. Barnabe, A. Wahl, T. O. Ma son, K. R. Poeppelmeier

497. Biotin carboxylase modeling using monovalent and divalent metal carboxyimidazolidonate complexes. F. J. Lihs, M. T. Caudle 498. Magnesium imidazolidonate complexes model the biosynthesis of Ν-carboxybiotin. E. R. Sanchez, M. Gessel, M. T. Caudle 499. Vanadium haloperoxidase biomimics. C. Kimblin, X. Bu, A. Butler 500. Solution chemistry of vanadium com plexes of chelidamic acid. D. C. Crans, L. Yang 501. Oxovanadium bis(ene-1,2-dithiolate) compounds: Models for vanadium-contain ing nitrate reductase. J. J. A. Cooney, H. K. Joshi, R. Codd, C. K. Kennedy, J. H. Enemark 502. Design and synthesis of ligand-peptide conjugates and their copper complexes: Models of the copper centers in nitrite re ductase. E. L Klein, R. D. Reese, R. P. Houser 503. Structural models for the active site of nitrite reductase. J. H. MacNeil, A. Blockinger 504. Progress toward a structural model of the Cu z cluster in nitrous oxide reductase. J. C. Stephens, S. Collins, R. P. Houser 505. Molecular structure and properties of mol ybdenum nitrosyls with ene-1,2-dithiolate ligands. J. T. Schirilin, F. E. Inscore, H. K. Joshi, I. K. Dhawan, J. H. Enemark 506. Quantum chemical survey of metalloporphyrin-nitrosyl linkage isomers: In sights into the observation of multiple FeNO conformations in the X-ray crystal structure of nitrophorin 4. A. Ghosh, T. Wondimagegn 507. Spectroelectrochemical studies of nitro phorin mutants: The importance of the carboxylates near the heme. R. E. Berry, D. P. Shepley, W. R. Montfort, F. A. Walker 508. Evaluation of metal-pyridine π interac tions by photoelectron spectroscopy: Mod els for axial bonding in heme compounds. J. T. Weisser, N. E. Gruhn, F. A. Walker, D. L. Lichtenberger 509. Assignment of heme resonances of high- and low-spin Fe(lll) nitrophorins 1-4 by 1 H NMR spectroscopy. Τ. Κ. Shokhireva, K. M. Smith, F. A. Walker 510. NMR and EPR spectroscopy of nonplanar porphyrinate complexes of high- and low-spin iron(lll). L A. Yatsunyk, F. A. Walker 511. Biomimetic study of cytochrome P450: Product distribution and mechanism of hydroxylation in model systems. T. Nakano, S. Kawabata, T. Sugihara, N. Agatsuma, H. Kakuda, Y. Mori 512. NMR studies on iron(lll) octathylchlorin and mono-oxo-octathylchlorin complexes. S. Cai, E. Belikova, F. A. Walker, A. Stolzenberg 513. Chromium corroies: Isolation and char acterization in four oxidation states and catalytic applications. A. E. MeierCallahan, H. B. Gray, Z. Gross 514. Electron-deficient metallocorroles. I. Halvorsen, E. Steene, A. Ghosh 515. Metal complexes of biphenyl-based multidentate ligands. M. R. Malachowski, R. White, I. Guzman, A. Thayer, Z. Thawley 516. Withdrawn. 517. Importance of the carbamate functional group in metallobiochemistry: Structural variation and reactivity in divalent metal carbamate complexes. M. T. Caudle 518. Withdrawn. 519. Cubane-type tetrairon(ll) clusters sup ported by sterically hindered carboxylate ligands. D. Lee, S. J. Lippard 520. Density functional study of electron structure and reduction potential of ana logs of the rubredoxin redox sites. S. Niu, T. Ichiye, J. A. Nichols

521. [4Fe-4S] ferredoxin sequence analyses: Residues at the extra cysteine position and implications for reduction potentials. M. J. Fajardo, T. Ichiye 522. Raman and EXAFS characterization of a sulfur-ligated Cu(l) ethylene complex: A model for the arabidopsis ethylene recep tor. J. Hirsch, S. DeBeer George, E. I. So lomon, B. Hedman, K. O. Hodgson, J. N. Burstyn 523. Protein control of electron transfer: A molecular dynamics study. E. A. Dolan, T. Ichiye 524. Chelation of N6,N7-adenine and 06.N7guanine derivatives on a Rh 2 4+ core. S. L. Phillips, G. Christou, J. C. Huffman, M. M. Olmstead 525. frans-[Fe(CO)2(CN)J2-: An Fe(CO)(CN) compound for the 2 1 * century. J. Jiang, S. A. Koch 526. Synthesis of novel water-soluble por phyrins and their DNA modification. J. E. Bradshaw, J. A. Kitchens, T. M. Marracino 527. Unwinding of supercoiled DNA by chromium(lll). B. T. Picard, M. E. Ketterer, D. M. Stearns 528. Ruthenium-osmium heterodinuclear metal mediator in the electrochemical de tection of DNA oxidation. R. C. Holmberg, H. H. Thorp 529. Cleavage of phosphodiesters with Cu(A Pr3[9]aneN3)2+. T. A. Tseng, Κ. Μ. Deck, L. L. Kiessling, J. N. Burstyn 530. Withdrawn. 531. Transcription inhibition by quinone diimine metal complexes. P. K. Fu, C. Turro 532. Mechanistic studies of anticarcinogenic vanadium(V) peroxide interactions with DNA. R. K. Larson, M. M. Abu-Omar 533. Protein folding monitored by electron transfer. J. C. Lee, l-J. Chang, H. B. Gray, J. R. Winkler 534. Protein folding probed by fluorescent decay kinetics. J. G. Lyubovitsky, J. R. Winkler, H. B. Gray 535. Photogeneration of tyrosine radicals in rhenium-modified azurin. W. A. Wehbi, A. J. Di Bilio, M. A. McGuirl, B. R. Crane, J. R. Winkler, H. B. Gray 536. Determination of the order of substrate binding to phenylalanine hydroxylase from chromobacterium violaceum. A. Volner, J. Zoidakis, M. Sam, M. A. Omar 537. Serine protease inhibition via exoge nous metal ions mediated by smallmolecule diamidines. S. R. Kircus, H. H. Thorp 538. Effect of viscosity on intramolecular electron transfer in sulfite oxidase. R. Kedia, C. Feng, J. T. Hazzard, G. Tollin, J. H. Enemark 539. Probing the active site of amine oxidase using channel-specific wires. C. R. Hess, J. R. Winkler, M. G. Hill, D. M. Dooley, H. B. Gray 540. Electron transfer in cytochrome c perox idase. M. A. Gilmore, L. E. Steward, C. A. Bonogura, T. L. Poulos, A. R. Chamberlin 541. Sensitizer-linked substrates for cyto chrome P450: Photoinduced electron transfer and structural insights. A. R. Dunn, B. R. Crane, I. J. Dmochowski, J. R. Winkler, H. B. Gray 542. Synthesis and characterization of nitroxyl hemeproteins. C. E. Immoos, R. Lin, P. J. Farmer 543. Investigations of oxochlorin-reconstituted hemeproteins. K. Chiang, M. S. Cohen, C. E. Immoos, P. J. Farmer 544. Enzymatic activity of coenzyme B12 de rivatives with altered axial nucleotides: Probing mechanochemical triggering in ri bonucleotide reductase. K. L. Brown, X. Zou, G. Chen 545. Spectroscopic studies of citrate with trivalent metal ions. Y. Z. Hamada 546. Designing functional mimics of CODH and H2ase: Natural water-gas shift reac tion catalysts. E. L. Hegg, S. Soller, N. D. Okerlund 547. Fe- and Co- complexes with peptides based on the active site of nitrile hydratases. G. Xing, V. J. DeRose


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5,2001

133


548. Modeling heme metalloenzymes with synthetic peptide protoporphyrin IX conju gates. R. J. Howard, W. H. Armstrong 549. Modeling multinuclear manganese met alloenzymes with synthetic peptide com plexes. S. S. Mukhopadhyay, R. J. Howard, C. P. Nguyen, W. H. Armstrong 550. Rapid and site-specific protein cleavage by Cu([9]aneN3)CI2. G. M. Polzin, J. N. Burstyn 551. Coupled stabilization of trigonal Hg(ll) and a three-helix bundle. B. T. Farrer, N. Harris, V. L. Pecoraro 552. Cu(ll) binding to bovine serum albumin. Y. Zhang, D. E. Wilcox 553. Electrostatic control of the conforma tional and electron-transfer properties of synthetic coiled-coil metalloproteins. A. Y. Kornilova, J. F. Wishart, M. Y. Ogawa 554. Heavy-metal binding peptides: Structure and binding affinity relation. M. Matzapetakis, T-C. Wang, J. E. Penner-Hahn, V. L. Pecoraro 555. Photoinduced electron transfer along an α-helical coiled-coil. A. V. Fedorova, M. Y. Ogawa 556. Photoinduced electron transfer within an electrostatic complex between a rutheni um metallopeptide and cytochrome c. L. Zang, R. Lasey, M. Y. Ogawa

WEDNESDAY MORNING Section A Convention Center Room 10 Metal-Peptide Complexes

V. J. DeRose, Organizer V. L. Pecoraro, Presiding 9:00—557. Coordination chemistry of cy steine- and histidine-rich peptides. D. E. Wilcox 9:30—558. Coordination chemistry of pep tides based on the active sites of unique metalloproteins. V. J. DeRose, G. Xing, R. G. Daugherty 10:00—559. Exploring metal ion selectivity in designed metallopeptides. B. R. Gibney, M. L. Kennedy 10:30—560. Ni(ll) and Cu(ll) tripeptide com plexes: Possible mechanisms in nickel toxicity and a minimalist copper protein. J. D. Van Horn, C. J. Burrows 11:00—561. Synthesis and characterization of peptide-supported CODH structural an alogs. C. E. Laplaza, R. H. Holm 11:30—562. Toward novel biomimetic tran sition-metal catalysts using small polypeptide-supporting ligands. W. H. Arm strong, R. J. Howard, M. Black, R. F. Har ris III, S. Mukhopadhyay, J. W. Vaughn

Section Β Convention Center Room 14A Impact of Solid-State and Materials Chemistry on Current Technologies Porous, Solids, and Catalysts

M. G. Kanatzidis, Presiding 9:00—563. Bridging molecular and solidstate chemistry: The role of SBUs in the design of extended porous materials. O. M. Yaghi, M. Eddaoudi, M. O'Keeffe

A Catalysis •


•


9:30—564. Design of frameworks with infinite secondary building units: A strategy for achieving noninterpenetrated monocrystalline mesoporous phases. N. L. Rosi, Ο. Μ. Yaghi, M. Eddaoudi 10:00—565. Designing noncentrosymmetric structures. K. R. Poeppelmeier 10:30—566. High-resolution TEM studies of mesoporous materials and relateds. O. Terasaki, Y. Sakamoto, T. Tsubakiyama, R. Ryoo, G. Stucky 11:00—567. High-throughput experimenta tion in heterogeneous catalysis: Evalua tion of concepts for synthesis and testing. F. Schuth, W. Strehlau, C. Hoffmann, S. Thomson, D. Farrusseng 11:30—568. Solid-state NMR and in situ X-ray diffraction studies of molecular sieves and aluminas: Gas sorption and catalyst activation. C. P. Grey, P. Chupas, H. Liu, K. H. Lim, J. C. Hanson

Section C Convention Center Room14B Award Symposium: Albert Cotton

Β. Μ. Foxman, Presiding 8:30—569. Catalyst/cocatalyst nuclearity ef fects in single-site olefin polymerization: Enhanced chain branching and comonomer enchainment. T. J. Marks, L. Li, M. V. Metz, A. L. Rheingold, L. M. Liable-Sands 9:00—570. Effect of metal atoms on the electrochemical response of ferrocenyl groups in bisferrocenyl polyynes. R. D. Adams, B. Qu, O. S. Kwon, M. Smith 9:30—571. Bimetallic hydrocarboxylation ca talysis: The unexpected and dramatic ef fect of water on a bimetallic hydroformylation catalyst. G. G. Stanley, Ν. Ν. Bridges, D. A. Aubry 10:00—572. Molecular squares, pentamers, decamers, and more: Supramolecular ap proaches to new magnetic materials. K. R. Dunbar, C. S. Campos-Fernândez, J. A. Smith, J-R. Galân-Mascaros, P. S. Szalay 10:30—573. Did nature discover Greg Kubas chemistry 3 billion years ago? Chemistry of the unprecedented [Fe(CO)(CN)x] centers in NiFe and Fe-only hydrogenase enzymes. S. Koch, J. Jiang 11:00—574. New types of nickel compounds as analogs for the metal-sulfur centers in hydrogenase. M. Millar 11:30—575. Dirhenium complexes in two's, three's, and more. J. K. Bera, R. A. Walton

Section D Convention Center Room15A Bioinorganic and Environmental Chemistry

D. C. Crans, Organizer H. B. Gray, Presiding 8:3fJ—576. DNA strand scission by combinatorial libraries of Ni(ll)Xaa-Xaa-His metallopeptides incorporating L- and D-amino acids. C. A. Claussen, X. Huang, E. C. Long 8:50—577. Excited states of bimetallic complexes: DNA binding and photoreactivity. C. Turro, P. M. Bradley, P. K. Fu 9:10—578. L-edge X-ray absorption spectroscopy of NiFe hydrogenases and CO dehydrogenases. H. Wang, D. Patil, W. Gu, S. P. Cramer 9:30—579. Advances in Môssbauer spectroscopy of diiron-oxo proteins. J. H. Rodriguez

9:50—580. Structural alterations of the active site in Y96F mutant of cytochrome P450cam as deduced by resonance Raman spectroscopy. V. Reipa, G. Niaura, M. Mayhew, M. J. Holden, V. Vilker 10:10—581. Biotechnological synthesis of 4-OH benzoate mediated by a phenylphosphate-carboxylase enzyme. M. Aresta, C. Dileo, I. Tommasi, M. Narracci 10:30—582. Remediation of heavy metals with molybdenum blue. A. W. Apblett, B. P. Kiran 10:50—583. Nickel-mediated selective carbonylation routes to thiocarbamates: An alternative to phosgene. W. D. Jones, J. Jacob, K. A. Reynolds, S. A. Godleski, R. R. Valente 11:10—584. Highly efficient cesium salt extraction with attenuation of bias toward large anions by use of a versatile dualhost combination. K. Kavallieratos, J. C. Bryan, G. J. Van Berkel, B. A. Moyer 11:30—585. Phosphonic acid containing solgel sorbents for Sr(ll) and uranyl: Imprinting effects. C. E. Barnes, J. W. Clavier, Z. B. Xue, S. Dai 11:50—586. Removal of methyl fe/t-butyl ether from water using chlorine dioxide and hydrogen peroxide in advanced oxidation processes. N. Sinkaset, A. M. Nishimura, H. Sohn, W. C. Trogler

Section Ε Convention Center Room 15B Inorganic Materials

12:10—598. Polar liquid crystals derived from the C B ^ H ^ cluster. P. Kaszynski, S. Pakhomov, A. G. Douglass A Selectivity in Organic Chemistry and Catalysis cosponsored with Division of Organic Chemistry (see page 151)

WEDNESDAY AFTERNOON Section A Convention Center Room 10 Metal-Peptide Complexes

C. E. Laplaza, Presiding 1:30—599. Binding of heavy metals using two and three α-helical bundles. V. L. Pecoraro, B. T. Farrer, M. Matzapetakis, C. McClure, T-C. Wang, J. E. PennerHahn 2:05—600. Using the Sal-XH metallopeptide motif to target nucleic acids. C. J. Bur rows, A. J. Stemmler, R. A. Jameton, O. Kornyushyna 2:40—601. De novo artificial endonucleases based on HTH and EF-hand chimeras. S. J. Franklin, M. Sirish, J. T. Welch 3:15—602. Tungsten-peptide complexes. T. P. Curran, J. C. Carter, J. Affonso 3:50—603. Three-point attachment of amino acid methyl esters to cobalt(lll) tetramethylchiroporphyrin: A structural model for amino acid enantioselection. J-C. Marchon, J. Pécaut, M. Bruno

Section Β

P. A. Mabrouk, Presiding 8:30—587. ETS-4 pore contraction: The mo lecular gate effect. S. M. Kuznicki, V. A. Bell, R. M. Jacubinas, S. Nair, C. M. Braunbarth, H. W. Hillhouse, M. Tsapatsis 8:50—588. Colorometric detector for H F in the liquid and gas phase. M. J. Sailor, R. W. Cheung 9:10—589. Detection of TNT and picric acid on surfaces and in seawater using pho toluminescent polymers containing group IV metalloles. H. Sohn, M. J. Sailor, W. C. Trogler 9:30—590. Fabrication of electrode materials for electrochemical capacitors and other applications via precursor routes. A. W. Apblett, K. Crissmore, A. Vecoven 9:50—591. Modular molecular design leads to new europium-based LEDs : Synthesis, morphology, and optoelectronic properties of novel europium(lll) β-diketonates. M. R. Robinson, M. B. O'Regan, G. C. Bazan 10:10—592. Oxadiazole-modified β-diketonate terbium for efficient organic lightemitting diodes. J. Wang, J. Yang, R. Wang, Z. Zheng, N. Peyghambarian, G. E. Jabbour 10:30—593. [Zn8P6024CI][Co(en)3]2H20: A new Cl-pillared microporous zinc phos phate templated by racemic mixture of Co(en)3CI3. J. Yu, Y. Wang, Z. Shi, R. Xu 10:50—594. Reactivity and transformation of organic functional groups of periodic me soporous organosilica materials. T. Asefa, M. J. MacLachlan, N. Coombs, H. Grondey, G. A. Ozin 11:10—595. Novel metal-organic coordina tion polymers generated from bipyridineand dicarboxylate-type ligands. X. Wang, L. Pan, C. Zheng, K-C. Lam, A. L. Rhein gold 11:30—596. Supramolecular isomerism in coordination polymers. S. Muthu, J. H. K. Yip, J. Vittal Sr. 11:50—597. Probing the enhanced reactivity of copper(l) centers when in the presence of strong Lewis acids. D. S. Smith, A. M. Dattelbaum, J. D. Martin

Convention Center Room 14A Impact of Solid-State and Materials Chemistry on Current Technologies Electronic Materials, Energy, and the Environment

K. R. Poeppelmeier, Presiding 1:3fJ—604. Benign by design: Solid-state in organic routes to fluoroorganics. M. A. Subramanian 2:00—605. Delafossites for electronic appli cations. N. Duan, R. Nagarajan, J. Li, A. Yokochi, V. Achuthan, S. Uma, Μ. Κ. Jayaraj, A. W. Sleight 2:30—606. Impact of solid-state intercalation chemistry on energy storage and conver sion. M. S. Whittingham Jr. 3:00—607. Solid-state chemistry approach to high-performance thermoelectric materi als. M. G. Kanatzidis 3:30—608. Powering up for the future: To ward better energy storage materials. L. Nazar 4:00—609. Recent advances in electrode materials for lithium batteries. M. M. Thackeray, J. T. Vaughey, C. S. Johnson 4:30—610. Reactive sputtering of ZnO thin films. G. R. Kowach

Section C Convention Center Room 14B Inorganic Catalysts and Metallocene Catalysts

D. C. Crans, Organizer J. P. Fackler, Presiding 1:30—611. Mesostructured layer silicate cat alysts: Porous clay heterostructures de rived from synthetic saponite. M. Polverejan, T. J. Pinnavaia 1:5fJ—612. Bridging vs. chelating bis(diphenylphosphino)amine ligands for the cobalt carbonyl intermolecular catalyzed PausonKhand reaction. J. M. Merrill, Β. Ε. Han son, C. Slebodnick

Ν Materials TÉT Medicinal & Pharmaceutical # Petroleum, Fuels & Related Chemistry ^

134

Presidential Series

C & E N / M A R C H 5, 2 0 0 1



2:10—613. Organolanthanide-catalyzed in tramolecular hydroamination of aminodienes: The first examples of efficient hy droamination of 1,2-disubstituted internal olefins. S. Hong, T. J. Marks 2:30—614. Synthesis and characterization of new Ni and Pd hydride-species: Their cat alytic activity in the oligomerization of methylacrylate. M. Aresta, E. Quaranta, A. Dibenedetto 2:50—615. Triaryltin(IV)-amides and -alkoxides as ring-opening polymerization catalysts of L-lactide. E. E. Delbridge, M. H. Chisholm 3:10—616. Transition-metal-catalyzed alter nating copolymerization of CO with aziridines. L. Jia 3:30—617. Weakly coordinating halogenated anions for metallocene catalysis: Crystal lography and 35 CI, 79-81Br, 1 2 Ί NQR stud ies of halogen-metal bonding in silver salts. G. Wulfsberg, S. Strauss, T. A. Babushkina, E. A. Kravchenko 3:50—618. Activation of constrained geome try dialkyl complexes with B(C6F5)3 and AI(C6F5)3: New mode of metallocene acti vation by B(C6F5)3. J. Klosin, K. A. Abboud 4:10—619. Insights into the mechanism of asymmetric addition of alkyl groups to al dehydes catalyzed by titanium-BINOLate complexes. P. J. Walsh, T. Davis, J. Balsells 4:30—620. Preparation of mixed tricoordinate arylalkyl- and arylalkenylboranes via zirconium transmetallations. T. E. Cole, F. Mizori 4:50—621. Group 4 dimethyl metallocenes: Improved synthesis and reactivity studies. L. Resconi, D. Balboni, I. Camurati



Main Group

Organometallic: Late Transition Metal

Inorganic Materials


T. P. Hanusa, Presiding

M. J. Sailor, Presiding

649. Withdrawn. 8:50—650. Carbon-free metallocenes: A new area of inorganic chemistry. E. Urnezius, W. Brennessel, J. Ellis 9:10—651. Cationic monocyclopentadienyl titanium alkyl species stabilized by a pen dant arene group. P. J. W. Deckers, B. Hessen, J. H. Teuben 9:30—652. Group 4 imido complexes sup ported by diketiminate ligands. M. R. Smith III, J. Fang 9:50—653. Zirconocene-coupling routes to periphery- and backbone-functionalized macrocycles. J. A. Whiteford, T. D. Tilley 10:10—654. Zirconium complexes supported by a new class of tripodal amide ligands. L. Turculet, T. D. Tilley 10:30—655. Zirconium complexes with flourinated amido ligands. P. E. O'Connor, D. J. Berg 10:50—656. Homogeneous olefin polymer ization with β-diketiminato complexes of vanadium. C. Puttnual, A. L. Rheingold, K. H. Theopold 11:10—657. Synthesis, characterization, and ethylene polymerization activity of diimine V(lll) complexes. A. Grassi, S. Milione, C. Tedesco, G. Cavallo 11:30—658. Synthesis and study of ansaniobocene olefin hydride complexes. L. J. Ackerman, J. E. Bercaw, M. L. H. Green, J. C. Green 11:50—659. Tantalum alkyl, silyl, and hy dride complexes supported by stehcally encumbering imido ligands. J. Gavenonis, T. D. Tilley

8:30—669. Hydrothermal synthesis of inorganic-organic hybrid vanadium phos phate helical chains. S. Feng, Z. Shi, L. Zhang 8:50—670. Solvothermal synthesis of molec ular-based magnetic materials. P. T. Wood, D. J. Price, S. Ο. Η. Gutschke, A. K. Powell 9:10—671. Enhancing the properties of highsurface-area oxides with in situ formed chelating imines. D. A. Lindquist, L. Wil cox 9:30—672. Liquid lanthanide metal-organic chemical vapor deposition precursors: De velopment of a new class of monomelic, volatile, fluorine-free complexes and growth of lanthanide-oxide thin films. N. L. Edleman, J. A. Belot, A. W. Metz, J. R. Babcock, M. V. Metz, T. J. Marks 9:50—673. Photochemical synthesis of new carbon-sulfur and carbon-selenium nanofilms. P. B. Zmolek, H. Sohn, W. C. Trogler 10:10—674. Dye-doped mesostructured nanocomposites as laser materials. B. J. Scott, M. D. McGehee, G. Wirnsberger, B. F. Chmelka, G. D. Stucky 10:30—675. Investigating the electronic properties of single porous silicon nanoparticles. D. J. Sirbuly, M. D. Mason, P. J. Carson, S. K. Buratto 10:50—676. Luminescent films based on the incorporation of tris(2,2'-bipyridine) ruthenium(ll) complexes in hectorite assem blies. M. E. Hagerman, S. J. Salamone 11:10—677. Template and temperature ef fects on the structural organization of ZnCI2-type glasses. S. J. Goettler, N. Fossé, J. D. Martin 11:30—678. New nanoscale supramolecular systems: Molecular rods and macrocyclic receptors. D. Xu, B. Hong 11:50—679. Metal selenocarboxylates as single-source precursors. Z. Lu, J. J. Vittal

G. H. Robinson, Presiding 2:00—633. Hyperactive methylating agents based on weakly coordinating anions: A "Me+" carborane salt. D. Stasko, C. A. Reed 2:20—634. Reaction of boronic acids with glycols. N. Shahid, A. R. Barron 2:40—635. Intramolecular boron-boron oneelectron ς-bond. J. D. Hoefelmeyer, F. P. Gabbaï 3:00—636. Bidentate group 13 chelators: Ligand synthesis, complexation, and decomposition. D. A. Atwood, A. R. Hutchison, T. S. Keizer 3:20—637. Lewis acid adducts of group 13 cyclopentadienyl compounds. J. D. Gorden, C. L. B. Macdonald, A. H. Cowley 3:40—638. Bimetallic group 13 compounds. D. A. Atwood, T. S. Keizer 4:00—639. Chelated anionic group 13 complexes. D. A. Atwood, M. J. Harvey 4:20—640. Gallium-tin transmetallation as a route to polyfunctional Lewis acids. J. D. Hoefelmeyer, M. Tschinkl, F. P. Gabbaï 4:40—641. Chemical routes to transparent conducting multimetallic and doped oxides. L. G. Hubert-Pfalzgraf, D. Tcheboukov, S. Daniele • Selectivity in Organic Chemistry and Catalysis cosponsored with Division of Organic Chemistry (see page 152)

Section D Convention Center Room 15A Organometallic: Late Transition Metal

F. A. Cotton, Presiding 1:30—622. 1,2-Bis(cyanomercurio)tetrafluorobenzene as a bifunctional Lewis acid catalyst. J. D. Beckwith, F. P. Gabbaï 1:50—623. Spin-state manipulation of chromium(ll) complexes with bulky indenyl ligands. T. P. Hanusa, E. D. Brady, M. A. Cohn, M. Pink 2:10—624. Chromium arene complex substituted aliènes: Structures and reactions. T. J. J. Miiller, M. Ansorge, K. Polborn 2:30—625. Asymmetric ring-closing metathesis with a molybdenum alkylidene species containing an enantiomerically pure octahydrobinaphtholate ligand. S. A. Miller, R. R. Schrock 2:50—626. Polymer-supported chiral biphenolate imido alkylidene catalysts for asymmetric ring-closing metathesis. K. C. Hultzsch, P. J. Bonitatebus Jr., R. R. Schrock 3:10—627. Effect of equatorial ligand geometry on the electronic structures of [Μ(& 1 86;0)μθΙ] + complexes. R. E. Da Re, M. D. Hopkins 3:30—628. Synthesis and reactivity of a base-free tungsten silylene complex. B. V. Mork, T. D. Tilley 3:50—629. Resolution of the chiral dearomatizing metal fragment [TpRe(CO)(1-methylimidazole)] in high enantiomeric excess with α-pinene. S. H. Meiere, W. D. Her man 4:10—630. Ethylene rotation in chiral octahe dral rhenium(l) complexes. L. A. Fried man, S. H. Meiere, B. C. Brooks, W. D. Harman 4:30—631. New cluster containing polymers and their model compounds. T. Baumgartner, A. Lough, I. Manners 4:50—632. Extraordinary stability of the monomeric bis(Tt-allyl) complexes, [ η 3 (C3(SiMe3)2H3]2M (M = Cr, Fe, Ni). T. P. Hanusa, J. D. Smith, V. G. Young Jr.

Section D

Section Β

Section Ε Convention Center Room 15B

WEDNESDAY EVENING A Selectivity in Organic Chemistry and Catalysis cosponsored with Division of Organic Chemistry (see page 153)

THURSDAY MORNING

Section C Convention Center Room 14B Transition Metal

Section A Convention Center Room 10 Impact of Solid-State and Materials Chemistry on Current Technologies Nanotechnology

X. Duan, Presiding 9:00—642. 1-D and 2-D solid-state NMR characterization of well-defined Re- and Mo-based catalysts for olefin metathesis. M. Chabanas, R. Petroff Saint-Arroman, A. Baudouin, A. Lesage, L. Emsley, C. Copéret, J-M. Basset 643. Withdrawn. 9:30—644. Laser-assisted catalytic growth of semiconductor nanowires for nanoscale electronic optoelectronic device application. X. Duan, Y. Huang, C. M. Lieber 10:00—645. Nanotubes. C. N. R. Rao 10:30—646. Synthesis, characterization, and properties of nanoporous nickel phosphates and related materials. A. K. Cheetham 11:00—647. Organic-inorganic perovskites as semiconducting channels in thin-film transistors. C. R. Kagan, D. B. Mitzi, C. D. Dimitrakopoulos, T. L. Breen, A. Afzali, L. L. Kosbar 11:30—648. Synthesis of nanocrystal superlattices: Building with artificial atoms. C. B. Murray, S. Sun, W. Gaschler, C. T. Black

K. J. Donaghy, Presiding 8:30—660. Synthesis of some rhenium(l) diphosphine hydrides, /a£>(CO)3(P-P)ReH. K. Johnson, D. M. Ho, J. Sturgis, S. K. Mandai 8:50—661. New phosphorous ligands affect ing fast and predominant n-selective rhodium-catalyzed hydroformylation of higher internal alkenes. D. Selent, A. Borner 9:10—662. Transition-metal complexes sup ported by (8-quinolynyl)amido ligands. J. C. Peters, T. A. Betley, S. D. Brown, S. B. Harkins, B. Qian 9:30—663. 1-D polymer using mixed azathia macrocycle with two modes of coordi nation of silver. M. Vetrichelvan, Y-H. Lai, K. F. Mok 9:50—664. Reactivity of discrete nickelborohydride complexes. P. J. Desrochers, R. J. Galloway, M. L. Abrams 10:10—665. Selective and reversible olefin binding by dithiolene complexes: Chemical and electrochemical approaches. K. Wang, E. I. Stiefel 10:30—666. Oxidation of dimethylplatinum(II) complexes with dioxygen. V. V. Rostovtsev, J. E. Bercaw, J. A. Labinger 10:50—667. Another example of kinetic and thermodynamic control in self-assembly. X. Wang, J. J. Vittal, J. D. Ranford 11:10—668. Cationic precious-metal phosphenium complexes for bifunctional catal ysis. R. T. Baker, M. B. Abrams, R. L. Martin, K. D. John, B. L. Scott

Section Ε Convention Center Room 15B Lanthanides and Actinides

D. C. Crans, Organizer G. W. Rabe, Presiding 8:50—680. Versatile ligands and their appli cations in organometallic chemistry. Z. Xie 9:10—681. Cooperative effects influencing the formation of lanthanide(lll) pentanuclear nanoclusters and their energy transport dynamics. M. K. Thompson, I. A. Kahwa 9:30—682. Synthesis and X-ray crystals of mononuclear lanthanide(lll)-salen com plexes. P. K. Yuen, Κ. Κ. Cheung, Ζ. Υ. Zhou, C. M. Che 9:50—683. Lanthanide complexes with bulky alkylcyclopentadienyl ligands. O. Schmitt, F. Weber, G. Wolmershaeuser, H. Sltzmann 10:10—684. How much steric crowding is possible in tris(pentamethylcyclopentadienyl)metal complexes? G. W. Nyce, J. W. Ziller, W. J. Evans 10:30—685. New supporting ligand for urani um chemistry: Synthesis and reactivity studies involving ketimide complexes. P. L. Diaconescu, C. C. Cummins 10:50—686. Extraction of uranium(VI) with malonamides: What's really going on? G. J. Lumetta, B. K. McNamara, B. M. Rapko, R. D. Rogers, G. A. Broker, J. E. Hutchison 11:10—687. Coordination of U(VI) with chlo ride in solution and solid state. Y. Xu, C. Van Pelt, J. Danis, B. L. Scott, A. G. Ludwick, W. H. Runde



C & E N / M A R C H 5, 2 0 0 1

135

INOR/MEDI/TECHNICAL PROGRAM

11:30—688. Synthesis of a conformational^ constrained malonamide and its coordination chemistry with uranyl nitrate. R. D. Gilbertson, B. M. Rapko, B. P. Hay, J. E. Hutchison, T. J. R. Weakly 11:50—689. Recent developments in terphenyl lanthanide chemistry. G. W. Rabe, C. D. Bérubé, G. P. A. Yap, R. D. Sommer, A. L. Rheingold 12:10—690. Hydrothermal syntheses of new actinide-based materials. A. C. Bean, C. E. Talley, P. M. Almond, R. E. Sykora, T. E. Albrecht-Schmitt • Selectivity in Organic Chemistry and Catalysis cosponsored with Division of Organic Chemistry (see page 153)

THURSDAY AFTERNOON Section A Convention Center Room 10 Organometallic: Late Transition Metal

T. C. Flood, Presiding 1:30—691. SCS-pincer complexes of rhodium: Synthesis, structure, solution dynamics, and reactivity. D. R. Evans, M. Huang, J. C. Fettinger, W. M. Seganish, E. W. Chege 1:50—692. Inorganic sulfur cycle on a Cp*Rh dimer: The oxidation of $[[Cp*Rh(pCH2)]2(M-S2)fl. K. Isobe, B. K. Breedlove, I. Maeda, K. Shiomi, T. Nishioka, I. Kinoshita 2:10—693. Kinetic and mechanistic interpretations of deuterium migration in $[(tacn)Rh(D)(alkyl)(L)]i]+: Evidence for intramolecular mobility of rhodium in inferred Rhalkane complexes. T. C. Flood, Κ. Ε. Janak, M. limura, P. Boothe, H. Zhen 2:30—694. Photochemistry and photophysics of dirhodium tetracarboxylate complex es. P. M. Bradley, B. E. Bursten, C. Turro 2:50—695. Parahydrogen-induced polariza tion in the addition of dihydrogen to anion ic group 8 metal centers. J. F. Houlis, R. Eisenberg 3:10—696. Sugar derivatives as ligands for rhodium-catalyzed asymmetric hydroformylation. C. Claver, M. Diéguez, O. Pàmies, A. Ruiz, S. Castillon 3:30—697. Mechanisms of borane activation by Cp*M(PMe3)(H)(Ph) (M = Rh, Ir). M. R. Smith III, J-Y. Cho, C. N. Iverson 3:50—698. Studies of reversible interconversion of iridium ketene and carbene-CO complexes. G. Bikzhanova, D. B. Grotjahn, H. Urtel, P. Hofmann, T. Concolino, K-C. Lam, A. L. Rheingold 4:10—699. SCS-pincer ligation of iridium: Synthesis, structure, solution dynamics, and reactivity. E. W. Chege, D. R. Evans 4:30—700. Mechanism of alkane dehydrogenation catalyzed by pincer-ligated iridium: Rate-limiting factors. Κ. Β. Renkema, A. S. Goldman 4:50—701. Carbon-carbon bond activation by highly constrained chelating bisphosphine metal intermediates. W. D. Jones, C. Iverson 5:10—702. [2+2+1] Alkyne cyclotrimerizations: A metallacyclopentadiene route to fulvenes. J. M. O'Connor, A. Closson

A Catalysis •


•


M Materials Ά" Medicinal & Pharmaceutical •


A Presidential Series

136

C&EN/

M A R C H 5, 2 0 0 1

Section Β Convention Center Room 14A Bioinorganic Chemistry: Modeling

A. L. Crumbliss, Presiding 1:30—703. EPR evidence for fosfomycin binding to the Mn active site of fosfomycin resistance protein (FosA). J. Telser, S. Smoukov, B. Bernât, R. N. Armstrong, B. M. Hoffman 1:50—704. NMR study of the cytochrome c conformers in mixed solvents. S. Sivakolundu, S. Pochapsky, P. A. Mabrouk 2:10—705. Synthesis and characterization of mixed-ligand complexes of biometals with pyrimidine nucleosides (cytidine and uridine) and amino acids. A. M. Reddy 2:30—706. Metal-ion-mediated intramolecular interactions involving dipeptides and nucleotides. A. M. Reddy 2:50—707. Metal-induced ligand diradical formation and reactivity. J. M. Zaleski 3:10—708. Molecular basis of action of the fruit-ripening hormone ethylene. M. C. Pirrung 3:30—709. Fe(lll) coordination properties of two new enterobactin synthetic analogs based on a saccharide platform. S. Dhungana, S. Heggemann, L. Heinisch, H. Boukhalfa, A. L. Crumbliss 3:50—710. Regiospecific oxidation of mesosubstituted iron porphyrins. H. R. Kalish, A. L. Balch 4:10—711. Nickel-mediated cysteine oxidation in small peptides. C. J. Burrows, J. D. Van Horn, G. Bulaj 4:30—712. Synthesis, characterization, and photophysical studies of some ruthenium salen nitrosyl compounds: Potential NO delivery agents and mechanistic insights in catalytic behavior. C. F. Works, C. Jocher, P. C. Ford

Section C Convention Center Room 14B Solid State D. C. Crans,

Organizer

4:10—721. High-temperature synthesis of open-framework aluminophosphates: NaRb2AI2(P04)3 and NaCs2AI(P04)2. Q. Huang, S-J. Hwu 4:30—722. Molecular coupling layers formed by reactions with self-assembled carboxylate monolayers grown on the native oxide of aluminum. C. L. Edwards, C. T. Vogelson, A. Keys, A. R. Barron 4:50—723. New Cl-pillared microporous zinc phosphate templated by racemic mixture of metal complex. J. Yu, Y. Wang, Z. Shi, R. Xu

Section D

Hwu,

Presiding

1:30—713. Cyanide-bridged chain of Mo6Se8 clusters: Synthesis or excision in cyanides? C. Magliocchi, X. Xie, T. Hughbanks 1:50—714. Catalytic properties of the silicasupported tantalum hydride (SiO)2Ta-H in the hydrogenolysis of alkanes. C. Copéret, F. Rataboul, M. Chabanas, J. Thivolle-Cazat, J-M. Basset 2:10—715. Metal coordination polymers with bis(4-pyridyl)sulfide and bis(4-pyridyl)disulfide as ligands. Z. Ni, J. J. Vittal 2:30—716. Synthesis, characterization, and physical properties of A 3 MnRu 2 0 9 (A = Ca, Ba) and L a M ^ R u ^ ^ solid solution (0 Z. S. Gonen, J. Gopalakrishnan, B. W. Eichhorn 2:50—717. Synthesis of a new family of open-framework copper(ll) phosphates and arsenates via salt inclusion: ACu 5 0 2 (M0 4 )2X (A = Rb, Cs; M = P, As; X = CI, Br, I). M. Ulutagay, S. Wojcik, Q. Huang, S-J. Hwu 3:10—718. Synthetic progress in new zeolite-type materials. P. Feng 3:30—719. Some recent advances in the synthesis of microporous solids in moltensalt media. S-J. Hwu, Q. Huang, M. Ulutagay, X. Mo 3:50—720. Mercuric iodide confined in aluminophosphate-based molecular sieves. J. Chen, G. Li, Z. Tang

DIVISION OF MEDICINAL CHEMISTRY D. A. Trainor, Program Chair

Convention Center Room 15A Computational and Theoretical Inorganic Chemistry

D. C. Crans, Organizer S. G. DiMagno, Presiding

SOCIAL EVENTS: Social Hour, Sun Executive Committee Meeting, Sun Long-Range Planning Committee Meeting, Mon BUSINESS MEETING: Sun

1:30—724. Theoretical studies of porphyrin electronic spectra: DFT/CI and TDDFT calculations. A. B. J. Parusel, T. Wondimagegn, H. Ryeng, A. Ghosh 1:50—725. C-H activation by dO transitionmetal-oxo compounds. T. Strassner 2:10—726. Destabilizing precursor and stabilizing alkane oxidative addition product with fac-chelating terdentate ligands in late-transition-metal chemistry: Theoretical modeling. A. N. Vedernikov, G. A. Shamov 2:30—727. Computational studies of boranimine tetramerization: Mechanistic paths and stabilities of cubic and cyclooctatetraenic isomers. T. M. Gilbert, B. D. Gailbreath 2:50—728. Electronic structure of bimetallic compounds with bridging π-acid ligands. A. A. Low, M. B. Hall 3:10—729. Porphyrin ring ruffling and bathochromic absorption spectra: Resem blance, contiguity, or causation? S. G. Di Magno 3:30—730. Density functional theory of spincoupled models for diiron-oxo proteins. J. H. Rodriguez

Section Ε S-J.

MEDI

SUNDAY MORNING Section A Convention Center Room 2 • Natural Products: Nature's Combichem Cosponsored with Division of Organic Chemistry

J. Schwab, Organizer 9:30—Introductory Remarks. 9:40—1. Antagonistic and mycoparasitic fungi as sources of new bioactive natural products. J. B. Gloer 10:20—2. Discovery of the combretastatin anticancer drugs. G. R. Pettit 11:00—3. Conotoxins: Venoms, drugs, and the specificity of protein-protein interactions. B. M. Olivera 11:40—4. New insights into the biosynthesis of polyketide natural products. C. Khosla 12:20—5. Natural products and the heterologous expression of biosynthetic pathways. J. Clardy, M. Jin, A. Sutton, S. Brady, J. Lee


Section Β

Main Group



General Oral Papers I

C. M. Hockensmith, Presiding 1:30—731. Ammonothermal transport and crystal growth of germanium and intermetallic compounds. A. P. Purdy, S. Case, C. George 1:50—732. Tetradentate Schiff base organotin compounds. D. A. Atwood, B. C. Yearwood 2:10—733. Homo- and heteronuclear tin(ll) alkoxide complexes. T. J. Boyle, N. Jack son, J. Miller, J. M. Segall, T. M. Alam, C. A. Zechmann, M. A. Rodriguez 2:30—734. Oxyligands and hydroxamic ac ids as ligands for tin coordination com pounds: Synthesis, NMR, and FTIR stud ies of complexes leading to materials with high thermal stability. C. M. Hockensmith 2:50—735. Persistent pnictinyl radicals from bulky dipnictines: Examples of a molecular jack-in-the-box. R. J. Wiacek, A. H. Cow ley, C. Macdonald, S. L. Hinchley, D. W. H. Rankin, G. Gundersen, J. A. C. Clyburne 3:10—736. Bismuth and molybdenum com plexes with bulky alkoxide ligands: Struc ture, reactivity, and catalysis modeling. T. A. Hanna, G. Keitany, C. Ibarra, A. L. Rheingold, R. D. Sommer, J. St. John 3:30—737. Unusual approaches to novel classes of mixed main group element li gands. M. Scheer, U. Vogel, E. Leiner, C. Haindl, P. Mathur 3:50—738. Multiple coordination of arènes by trinuclear mercury Lewis acids. F. P. Gabbaï, J. D. Beckwith, M. R. Haneline, C. A. Pefialoza, M. Tsunoda

D. A. Trainor, Organizer D. Burnett, Presiding 8:50—7. Total synthesis of a highly potent antitumor natural product OSW-1 and its analogs. W. Yu, Z. Jin 9:10—8. Identification and optimization of small-molecule leads for the melonocortin 1 receptor via parallel solid-phase synthe sis. T. C. Gahman, M. Green, M. Griffith, C. Hecht, M. Lee, J. Macdonald, S. Slivka, D. Thomas, E. Thompson 9:30—9. Solid-phase synthesis of alkenyldiarylmethanes targeting HIV-1 reverse transcriptase. G. Xu, M. Cushman 9:50—10. Solvation and protonation state ef fects in the binding of cyclic urea inhibitors to HIV-1 protease. K. L. Mardis, R. Luo, M. K. Gilson 10:10—11. Targeting the packaging region of HIV-1 with drugs. J. C. Dabrowiak, M. P. McPike, J. Goodisman, C. H. Spink 10:30—12. Receptor-bound conformation of α5β1 integrin antagonist by 15N-edited 2-D transfer nuclear Overhauser effect. L. Zhang, R. H. Mattern, T. I. Malaney, M. D. Pierschbacher, M. Goodman



10:50—13. Conformation of fragile X-associated triplet repeat DNA containing C-C mismatch pairs. P. Rodesittisuk, R. M. Romero, I. S. Haworth 11:10—14. Design and synthesis of a Gquadruplex specific cleaving reagent. W. Tuntiwechapikul, J. T. Lee, M. Salazar * Nucleic Acid-Based Therapeutics and Related Technologies cosponsored with Division of Carbohydrate Chemistry (see page 82)

SUNDAY AFTERNOON Section A Convention Center Room 2 General Oral Papers II

P. J.Gilligan, Presiding 1:00—15. Discovery of DPC602: Develop ment of (4-methoxyphenyl)- and [2(aminomethyl)phenyl]pyrazole inhibitors of factor Xa. R. A. Galemmo Jr., J. R. Pruitt, P. Y. S. Lam, D. J. Pinto, C. Dominguez, R. S. Alexander, K. A. Rossi, B. L. Wells, S. Drummond, L. Bostrom, P. C. Wong, M. R. Wright, S. Bai, R. M. Knabb, R. R. Wexler 1:20—16. Development of highly potent, se lective, and orally available nonamidine factor Xa inhibitors. M. J. Kochanny, M. Adler, S. Cheeseman, Y-L. Chou, D. D. Davey, K. A. Eagen, J. Ewing, R. Fitch, B. D. Griedel, R. Karanjawala, W. Lee, D. Lentz, A. Liang, M. M. Morrissey, G. B. Phillips, J. Post, K. L. Sacchi, S. T. Sakata, K. J. Shaw, R. M. Snider, B. Subramanyam, L. Trinh, R. Vergona, J. Walters, Y-X. Wang, K. A. White, M. Whitlow, S. C. Wu, B. Ye, Z. Zhao 17. Withdrawn. 2:00—18. Structure-based design and syn thesis of PPAR γ antagonists. B. G. Shearer, J. E. Cobb, M. V. Milburn, J. P. Cooper, J. M. Lenhard, E. A. Hull-Ryde, S. G. Blanchard, Κ. Plunket, J. Shenk, L. Leesnitzer, A. B. Miller, R. T. Nolte, M. Lambert, T. M. Willson 2:20—19. Rapid matrix-assisted laser desorption ionization mass spectrometry technique for identification of subunit spe cies of apoproteins in serum lipoproteins of hypercholesterolemic patients. B. Dayal, Q. Li, N. H. Ertel 2:40—20. Novel p-arylthio cinnamides as an tagonists of LFA-1/ICAM-1 interaction: De termination of the mechanism of inhibition and structure-based SAR approach for im proved pharmaceutical properties. G. Liu, J. R. Huth, E. T. Olejniczak, R. Mendoza, P. DeVries, E. B. Reiley, S. Leitza, G. F. Okasinski, T. W. von Geldern, S. W. Fesik 3:00—21. Development of potent noncarbohydrate small-molecule selectin inhibitors. D. H. Slee, S. J. Romano, J. Yu, T. N. Nguyen, N. R. K. Raheja, J. K. John, F. U. Axe, T. K. Jones, W. C. Ripka 3:20—22. Potent and selective azetidinone inhibitors of tryptase. G. S. Bisacchi, S. A. Bolton, D. Gaitonde, K. S. Hartl, M-H. Huang, G. Jacobs, M. L. Ogletree, Z. Pi, W. A. Schumacher, W. A. Slusarchyk, J. Sutton, U. Treuner, Z. Zhang, G. Zhao, R. Zahler, S. M. Seiler 3:40—23. New carboxylic acid MMP inhibi tors derived from a propargyl glycine scaf fold. M. J. Laufersweiler, M. G. Natchus, R. Bookland

Section Β Convention Center Room 6A Antagonists of HIV Entry: Potential New Therapies for Treatment of HIV Infection

W. Greenlee, Organizer 1:30—26. Discovery of potent, orally bioavailable CCR5 antagonists (1). J. Tagat, D. Nazareno, S. Vice, S. Lin, R. Steensma, M. Miller, A. Bauer, S. McCombie, A. Palani, H. Josien, J. W. Clader, B. Neustadt, W. Greenlee, A. Ganguly, J. Piwinski, T. M. Chan, A. Evans, N. Dan, B. Baroudy, M. Endres, J. Strizki, N. Vantuno, K. Cox, L. Broske, X. Zhang 2:00—27. Discovery of potent, orally bioavailable CCR5 antagonists (2). A. Palani, S. Shapiro, H. Josien, T. Bara, J. W. Clad er, W. Greenlee, J. Tagat, R. Steensma, S. McCombie, B. Neustadt, P. Pushpavanam, T. M. Chan, A. Evans, D. Blythin, A. Ganguly, J. Piwinski, N. Dan, B. Baroudy, M. Endres, J. Strizki, N. Vantuno, K. Cox, L. Broske, X. Zhang 2:30—28. Mapping the ligand-binding site on CCR5 for small-molecule inhibitors of HIV entry. C. Seibert, T. P. Sakmar 3:15—25. Development of T-20: The first membrane fusion inhibitor. D. Bolognesi, T. Matthews, S. Hopkins, M. C. Kang 4:00—24. CXCR4 receptor antagonist, AMD3100, is a potent inhibitor of HIV in fection. E. De Clercq, D. Schols, G. Bridg er, G. Henson 7:00—Division Business Meeting. • Nucleic Acid-Based Therapeutics and Related Technologies cosponsored with Division of Carbohydrate Chemistry (see page 82) * Solid- and Solution-Phase Syntheses and Techniques: Generation of Combinatorial Libraries Symposium cosponsored with Division of Organic Chemistry (see page 146) S U N D A Y EVENING Convention Center Sails Pavilion General Posters

D. A. Trainor, Organizer 7:30-9:30 29. Utilizing microbial metabolites as starting reagents for alkaline phosphatase conju gations. C. M. Mosher, L. M. J. Lynch, V. S. Thompson, E. J. Jarvi 30. Discovery of new antagonists of the ade nosine A2B receptor. T. R. Webb, D. Lvovskiy, N. Melman, X. Ji, J. Linden, K. A. Jacobson 31. Synthesis and evaluation of protein biotinylation reagents that also contain UVand/or fluorescence-absorbing moieties. D. S. Wilbur, M-K. Chyan, D. K. Hamlin, B. E. B. Sandberg 32. Design and synthesis of phosphotyrosine mimetic phenylalanine derivatives. H-O. Kim, Z. Yan, M. Blaskovich, M. Kahn 33. Carbon-cobalt bond photolysis and impli cations for prodrug design. S. R. Boothroyd, C. B. Grissom, F. G. West 34. New flash system for the purification of organic compounds. J. R. Bickler, P. C. Rahn 35. Improving normal-phase flash separa tions by eliminating polar solvent interfer ence. J. R. Bickler, P. C. Rahn 36. Use of sample injection module to in crease loading for flash purification. J. Liu, P. C. Rahn 37. Discretion in detection of fractions to pro vide high-purity compounds for biological testing. J. Liu, P. C. Rahn 38. Design and synthesis of phosphotyrosine peptide and peptidomimetic prodrugs. H. Garrido-Hernandez, R. F. Borch

39. Synthesis and biological evaluation of a variety of truncated microcystin analogs. M. E. Hart, H. Eng, H-B. Huang, A. C. Nairn, A. R. Chamberlin 40. Synthesis of truncated DARPP-32 ana logs utilizing a cantharidin phosphoryl mimic. M. E. Hart, H-B. Huang, A. C. Nairn, A. R. Chamberlin 41. New templates for solid-phase synthesis of cyclic peptidomimetics. M. Pattarawarapan, H. B. Lee, K. Burgess 42. High-throughput cleavage of benzyl-type protecting groups using polymer-bound palladium. V. J. Huber, C. Lum, M. Stasiak, H-O. Kim, B. A. Goodman 43. Combinatorial synthesis of phosphoramidate library, using nucleic acid-based scaf fold, through hydrogen-phosphonate chemistry. Y. Jin, X. Chen, M-E. Cote, A. Roland, W. Zhou, R. Iyer 44. Simplified and improved method for re moval of isopropylidene protecting group in nucleosides. B. Paul, B. F. Mayer 45. Synthesis and pharmacological charac terization of novel fluorescent ligands. C. E. Allan, D. J. Robins, J. McKenzie, J. C. McGrath 46. Design, synthesis, and evaluation of nov el NOTA-like macrocycles with pendant donor groups as potential radioimmunotherapy agents. H-S. Chong, K. Garmestani, M. W. Brechbiel 47. HET0016, a potent and selective 20HETE synthase inhibitor. M. Sato, T. Ishii, Y. Kobayashi, H. Amada, H. Kakinuma, N. Miyata, K. Taniguchi, S. Kametani, S. Nakaike 48. Optimization of a screening lead for fac tor VUa/TF. W. B. Young, A. Kolesnikov, R. Rai, E. Leahy, P. Sprengeler, J. Sangalang, W. Shrader, J. Burgess-Henry, J. Spencer, K. Elrod, L. Cregar 49. Discovery of DPC602: Ortho-substituted phenylpyrazoles as potent, orally bioavailable inhibitors of factor X. J. R. Pruitt, L. Bostrom, R. A. Galemmo Jr., P. C. Wong, M. R. Wright, S. Bai, R. M. Knabb, R. R. Wexler 50. Discovery of aminoquinazoline and aminoindazole P1 side chains as benzamidine mimics for FXa inhibitors. R. Li, C. G. Clark, K. A. Rossi, P. C. Wong, J. M. Luettgen, B. J. Aungst, S. A. Bai, R. M. Knabb, R. R. Wexler, P. Y. S. Lam 51. Development of potent and selective fac tor Xa inhibitors. R. Rai, A. Kolesnikov, W. B. Young, P. A. Sprengeler, Ε. Μ. Leahy, Y. Li, W. D. Shrader, J. Burgess-Henry, J. Sangalang, E. J. Verner, D. Allen, X. Chen, K. C. Elrod, L. Cregar, B. A. Katz, C. Luong 52. Nonbenzamidine isoxazoline derivatives as factor Xa inhibitors. M. L. Quan, C. D. Ellis, M. Y. He, A. Y. Liauw, P. Y. Lam, R. M. Knabb, K. A. Rossi, M. R. Wright, P. C. Wong, R. R. Wexler 53. Nonbenzamidine tetrazole derivatives as factor Xa inhibitors. M. L. Quan, C. D. El lis, M. Y. He, A. Y. Liauw, P. W. Lam, R. S. Alexander, R. M. Knabb, M. R. Wright, P. C. Wong, R. R. Wexler 54. Design and synthesis of FXa inhibitors incorporating bicyclic moieties at the P3 site. I. C. Jacobson, M. L. Quan, C. D. El lis, J. M. Luettgen, R. M. Knabb, D. J. Pin to, P. Y. Lam, R. R. Wexler 55. Design, synthesis, and SAR of human factor Xa inhibitors with ethanolamine, ethylenediamine, and amine acids as the central templates. P. Zhang, J. F. Zuckett, U. Sinha, B. Huang, P. Wang, G. Park, R. M. Scarborough, B-Y. Zhu 56. Potent inhibitors of farnesyltransferase and geranylgeranyltransferase. D. N. Nguyen, T. M. Williams, C. A. Stump, S. L. Graham, N. E. Kohl, R. B. Lobell, H. E. Huber, C. A. Buser, D. C. Heimbrook 57. Promising ETa selective antagonist after ABT-627/ABT-546. H-S. Jae, M. Winn, W. J. Chiou, B. Nguyen, K. C. Marsh, T. W. von Geldern

58. Synthesis and structure-activity relation ship of ethenesulfonamide derivatives: Po tent and orally active endothelin receptor antagonists. H. Harada, J. Kazami, S. Watanuki, R. Tsuzuki, K. Sudoh, A. Tanaka, A. Fujimori, S. Tsukamoto, I. Yanagisawa 59. Investigation of structure-activity relation ships in a series of glibenclamide analogs. M. N. Iskander, E. Yuriev, D. C. Kong 60. Cardioselective KATP-blockers: Optimiza tion of potency and cardioselectivity of benzenesulfonylureas and -thioureas. H. C. Englert, U. Gerlach, H. Gôgelein, H. Heitsch, S. Knieps, W. Linz, D. Mania, R. Rothenbàcher, S. Scheidler 61. Design and synthesis of factor Xa inhibitors using amino acids as templates. T. Su, Y. Wu, Β. Doughan, Ζ. J. Jia, B. Huang, U. Sinha, R. M. Scarborough, B-Y. Zhu 62. Determining the binding sites of smallmolecule activators of soluble guanylate cyclase. P. A. Fernandez, D. J. Madge, D. L. Selwood, G. Wishart 63. Design, synthesis, and SAR of substitut ed acrylamide as inhibitors of human fac tor Xa. Y. Song, L. A. Clizbe, C. Bhakta, W. Teng, W. Li, Y. Wu, Z. J. Jia, P. Zhang, L. Wang, B. Doughan, T. Su, J. Kanter, P. Wong, B. Huang, K. Tran, U. Sinha, G. Park, A. Reed, J. Malinowski, R. M. Scar borough, B-Y. Zhu 64. Synthesis and pharmacological evalua tion of a series of N-substituted sulfonamide-based TXA2 receptor antago nists. D. M. Taylor, P. V. Halushka, G. P. Meier 65. Phosphonocarboxylate mediators of iron release from serum transferrin. W. R. Har ris, C. Brooke 66. Design and synthesis of glycolic acid and mandelic acid derivatives as factor Xa in hibitors. T. Su, Y. Wu, Β. Doughan, Κ. Kane-Maguire, C. K. Marlowe, J. Kanter, B. Huang, U. Sinha, G. Park, J. Malinow ski, S. Hollenbach, R. M. Scarborough, B-Y. Zhu 67. Recent advances in the study of acetyl cholinesterase inhibitor "donepezil": Syn thesis and structure-activity relationships of fluorine-introduced donepezil and relat ed compounds. Y. limura, T. Kosasa, Y. Kuriya, A. Inoue, Y. Kawakami, N. Suzuki, H. Sugimoto, Y. Yamanishi, Y. Takeuchi 68. Design, SAR, and X-ray crystal structure of orally active azaindole inhibitors of fac tor Xa. G. B. Poli, Y. M. Choi-Sledeski, R. M. Kearney, H. W. Pauls, Y. Gong, M. R. Becker, R. S. Davis, C. J. Gardner, A. P. Spada, V. Chu, K. Brown, D. Colussi, R. J. Leadley, R. Bentley, C. J. Kasiewski, S. R. Morgan, S. Rebello, G. Liang, J-P. Guilloteau, S. Maignon 69. Recent advances in the study of acetyl cholinesterase inhibitor "donepezil": Dock ing simulations of fluorine-introduced donepezil with acetylcholinesterase. A. In oue, Y. limura, H. Sugimoto, Y. Kawakami 70. New functional γ-secretase inhibitor succinic-diamides for the treatment of Alz heimer's disease. B. M. Jagodzinska, J. M. Sealy, D. Wone, A. W. Garofalo, E. D. Thorsett, J. Wu, H. F. Dovey, C. Bales, L. H. Latimer 71. Inhibitors of amyloid-β aggregation: Dimeric catechols inhibit aggregation and deposition of Αβ. L. H. Latimer, F. Stappenbeck, S. Jenkins, L. Nagarajan, J. Wu, E. D. Thorsett, M. Wogulis, K. Powell, D. Cunningham, R. E. Rydel, P. Seubert 72. Synthesis and structure-activity relation ships of compounds related to the a 2 adrenoceptor antagonist dexefaroxan. P. Mayer, C. Piedecoq, P. Brunei, C. Loubat, S. Alibert, P. Schambel, T. Wurch, P. J. Pauwels, P. Chopin, M. Marien, T. Imbert 73. Biological evaluation of the cc2adrenoceptor antagonist dexefaroxan and its analogs for the treatment of neurode generative diseases. P. Mayer, T. Wurch, P. J. Pauwels, J-C. Martel, M. Marien, T. Imbert, P. Chopin, F. C. Colpaert


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74. Synthesis and calpain inhibitory activity of oc-ketoester and α-ketoacid tripeptides with varying lipophilic groups at the P3 po sition. H. Assafa, I. O. Donkor 75. Structure-activity relationship of a series of oxamyl dipeptide caspase inhibitors de veloped for the treatment of stroke. R. J. Temansky, S. D. Linton, D. S. Karanewsky, K. G. Jahangiri, S. P. Meduna, E. D. Robinson, B. R. Ullman, J. Wu, K. Nalley, J-L. Diaz, T. Aja, J. Herrman, T. L. Deckwerth, R. O. Sayers, K. J. Tomaselli, J. A. Kallen, G. F. Rovelli, B. Hengerer, P. Allegrini, C. Wiessner, A. Sauter, S. P. Roggo, A. Schmitz 76. P2/3 oxo azepino indoles: A new class of potent broad-spectrum caspase inhibitors with in vivo activity in the pMCAO model. S. P. Roggo, S. Hintermann, V. G. Rasetti, U. I. von Krosigk, M. R. TintelnotBlomley, J. A. Kallen, A. Schmitz, G. F. Rovelli, B. Hengerer, R. Ortmann, A. Sau ter, C. Wiessner, P. R. Allegrini, D. S. Karanewsky, S. D. Linton, R. J. Teman sky, J. Wu, K. Tomaselli 77. P2/3 oxo azepino indoles: Optimized syn thesis and structure-activity relationship of a potent, brain-penetrable caspase inhibi tor series. S. Hintermann, S. P. Roggo, U. I. von Krosigk, M. R. Tintelnot-Blomley, V. G. Rasetti, T. Leutert, K. K. Auer, J. Wu, K. Tomaselli 78. Warhead structure-activity relationship within a series of (l-naphthyloxy)acetylVal-Asp hetero methyl ketones. B. R. Ull man, D. S. Karanewsky, T. Aja, N. Chen, T. L. Deckwerth, J-L. Diaz, J. Herrmann, V. J. Kalish, S. P. Meduna, K. Nalley, E. D. Robinson, R. O. Sayers, K. J. Tomaselli, J. Wu, S. P. Roggo, A. Schmitz 79. Synthesis and characterization of a fluorescently labeled Α-β 42 peptide. S. Kondubhotla, B. Stine, A. Manelli, K. Dahlgren, M. J. Ladu, G. A. Krafft 80. Inhibitors of amyloid-β aggregation: Histidine residues in Αβ play a crucial role in aggregation. F. Stappenbeck, L. H. Latimer, E. D. Thorsett, M. Wogulis, K. Powell, M. Lee, R. E. Rydel, P. Seubert, D. Cunningham 81. 11C labeled 5-propargyl-O-methyl and 5-propyl-O-methyl analogs of A-85380 as in vivo markers of central nicotinic acetyl choline receptors. H. Fan, U. Scheffel, P. A. Finley, R. F. Dannals, D. F. Wong, R. Fitch, Y. Xiao, K. J. Kellar, J. L. Musachio 82. Synthesis and evaluation of N-alkylated pyridinium compounds as antagonists at nicotinic acetylcholine receptor subtypes. J. T. Ayers, A. Haubner, S. P. Sumithran, V. P. Grinevich, A. G. Deaciuc, L. P. Dwoskin, P. A. Crooks 83. Development of selective ligands for GABAA/BzR subtypes and their role in al teration of alcohol dependence. X. Li, X. He, C. Ma, S. Harvey, J. M. Cook 84. Synthetic progress torward conformationally constrained acidic amino acids: Mo lecular probes for the glutamate transmit ter system. J. L. Titus, A. R. Chamberlin 85. Novel isotropane derivatives as dopam ine uptake inhibitors. D-l. Kim, H. Deutsch, M. M. Schweri 86. Synthesis and pharmacological activity of novel GBR 12909-tropane hybrid analogs. A. L. Bradley, S. Izenwasser, D. Wade, M. L. Trudell

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Catalysis

• Chemistry & Computers • Environmental Issues Ν Materials "A Medicinal & Pharmaceutical

87. Synthesis of benzimidazolidinone deriva tives as M4 selective agonists. T. Yamakawa, M. Ando, S. Koito, M. Miyaji, T. Kimura, K. Noguchi, N. Ohtake 88. Studies toward the synthesis of a conformationally constrained kainic acid analog. R. Vaswani, D. Phillips, A. R. Chamberlin 89. Synthesis of (S)-2-p-carboalkoxy-3-cc[bis(4-fluorophenyl)methoxy]tropanes and binding at the dopamine transporter. M-F. Zou, Y. Belov, G. Agoston, T. Kopajtic, J. L. Katz, A. H. Newman 90. Design, synthesis, and biological evalua tion of pyrrolidine analogs of GBR com pounds for the monoamine transporter systems. A. K. Dutta, X-S. Fei, M. E. A. Reith 91. Inhibitors of Αβ oligomer assembly and neurotoxicity: Design, synthesis, and char acterization of novel fluorinated alcohol derivatives. S. Kondubhotla, B. Stine, K. Dahlgren, A. Manelli, M. J. Ladu, G. A. Krafft 92. Peptide-based neurotensin agonists that cross the blood-brain barrier. K. P. Kokko, K. A. Sipe, M. K. Hadden, J. T. Lundquist IV, P. L. Golden, T. A. Dix 93. Synthesis and structure-activity relation ship studies of meperidine analogs at the dopamine transporter. J. B. Rhoden, S. A. Lomenzo, S. Izenwasser, D. Wade, J. L. Katz, T. Kopajtic, M. L. Trudell 94. Synthesis and evaluation of selective in hibitors of human neurotransmitter trans porter binding and neurotransmitter re uptake. K. Fandrick, J. R. Cashman, A. Janowsky, R. Johnson 95. Nonpeptide CRF1 antagonists: Pyrazolo[1,5-a]pyrimidines and pyrazolo[5,1-c][1,2,4]triazines. R. G. Wilde, K. L. Carter, J. D. Klaczkiewicz, P. J. Gilligan, R. E. Olson, R. Zaczek 96. [3- (c/s-3,5-Dimethyl-1-piperazinyl)alkyl]bis-(4'-fluorophenyl)amine analogs as novel probes for the dopamine transporter. J. Cao, S. M. Husbands, T. Kopajtic, J. L. Katz, A. H. Newman 97. Pyrazolo-[1,5-a]-s-triazine CRF ligands: Side-chain SAR. P. J. Gilligan, Β. Κ. Folmer, R. A. Hartz, S. L. Koch, Κ. Κ. Nanda, L. W. Fitzgerald, K. Miller 98. Novel, highly potent, and selective sero tonin 5-HT2A/dopamine D2 receptor an tagonists as potential antipsychotics. T. Lee, A. J. Robichaud, Κ. Ε. Boyle, Y. Lu, W. Chen, C. McClung, W. Deng, K. J. Mil ler, J. F. McEIroy, B. L. Largent, S. Mitch ell, D. W. Robertson 99. Pyrazolo-[1,5-a]-s-triazine CRF ligands: Phenyl group SAR. R. A. Hartz, P. J. Gil ligan, S. L. Koch, B. K. Folmer, Κ. Κ. Nanda, L. W. Fitzgerald, K. J. Miller 100. Second-generation reporter affinity la bels: Design, synthesis, and pharmacolog ical evaluation of naphthalene dicarboxaldehyde derivatives of β-naltrexamine. C. R. McCurdy, B. Le Bourdonnec, R. El Kouhen, P. S. Portoghese 101. lmidazo-[4,5-c(|-pyridazin-7-one CRF re ceptor ligands. P. J. Gilligan, R. Bakthavatchalam, L. W. Fitzgerald, K. Miller 102. Synthesis of 7-heteroaryl-7-azabicyclo[2.2.1]heptane derivatives as potential nicotinic receptor ligands. J. Cheng, M. L. Trudell, D. Wade, S. Izenwasser 103. Design and synthesis of afunctional peptides as novel therapeutics for pain. R. S. Agnes, P. Davis, S. Ma, Y. S. Lee, J. Lai, F. Porreca, V. J. H ruby 104. Design and synthesis of chimeras as opioid δ/μ receptors agonist and CCKA/ CCKB receptors antagonist. Y. S. Lee, R. S. Agnes, B. Hargittai, P. Davis, S. Ma, J. Lai, F. Porreca, V. J. Hruby

105. Synthesis and biological evaluation of novel, selective 5-HT2c receptor agonists for the treatment of obesity. A. J. Ro bichaud, W. Chen, C. McClung, D. Clark, W. Deng, E. Brondyke-Calvello, I. S. Mitchell, T. Lee, P. Rajagopalan, L. W. Fitzgerald, D. S. Conklin, J. F. McEIroy, K. W. Rohrbach, K. J. Miller, B. L. Largent, B. F. Molino, M. Stranda, D. W. Robertson, J. Liao, S. N. Haydar, M. P. Conlon, B. C. Duffy, N. G. Pawlush 106. Design and synthesis of CD4 mimetics toward the discovery of gp120 inhibitors. A. Chakrabarti, J. Samanen, N. McDonnald, C. E. Peishoff 107. Design and synthesis of novel p53 in hibitors for neuroprotection. X. Zhu, Ν. Η. Greig, M. P. Mattson, C. Culmsee, Q-S. Yu 108. Design, synthesis, and biological evalu ation of diarylmethylenepiperidinecarboxylates as new anti-HIV agents. G. Xu, T. L. Loftus, J. A. Turpin, M. Cushman 109. Discovery of CCR5 antagonists contain ing the aminoguanidine group. E. A. Kesicki, J. O. Odingo, A. R. Oliver, M. W. Orme, V. L. Schweickart, A. Epp, P. W. Gray, K. W. Fowler 110. Synthesis and antiviral activity of glycolipid conjugates: Novel HIV entry inhibitors targeting gp120/host cell interactions. A. S. Bhat, R. Y. LaBell, R. Ramakrishnan, D. F. O'Brien, N. Ahmad, J. Gervay-Hague 111. Design and synthesis of substituted dihydrofuranochromans as new serotoner gic molecular probes. J. A. Preacher, A. P. Monte 112. Withdrawn. 113. Synthesis of cosalane amino acid con jugates for enhanced anti-HIV activity and oral bioavailability. K. C. Santhosh, E. D. Clercq, C. Pannecouque, M. Witvrouw, T. L. Loftus, J. A. Turpin, R. W. Buckheit Jr., M. Cushman 114. CD4 mimetic peptides and the mecha nism of HIV entry. C. S. Dowd, C. Li, I. M. Chaiken 115. Withdrawn. 116. Synthesis and evaluation of quinolinones as HIV-1 reverse transcriptase inhib itors. M. Patel, R. J. McHugh Jr., B. C. Cordova, R. M. Klabe, S. EricksonViitanen, J. D. Rodgers 117. Design and synthesis of 2,4-diamino5-chloro-6-substituted-quinazolines as DHFR inhibitors. A. Gangjee, V. Ahuja, S. Queener 118. Novel HBV-specific antiviral reagents. M. Ubasawa, K. Sekiya, H. Takashima, N. Inoue, S. Yuasa, N. Kamiya 119. Glycine oc-ketoamides as potent HCV protease inhibitors. W. Han, X. Jiang, Z. Hu, A. R. Wasserman, L. J. Gorey-Feret, J. L. Meek, C. P. Decicco 120. Design, synthesis, and biological activi ty of novel nonamidine factor Xa inhibitors: Structure-activity relationships of substitut ed benzothiophene-anthranilamides. M. J. Kochanny, D. D. Davey, K. A. Eagen, B. D. Griedel, R. Karanjawala, D. Lentz, A. Liang, M. M. Morrissey, G. B. Phillips, K. L. Sacchi, R. M. Snider, L. Trinh 121. Modification of glycine a-ketoamide HCV protease inhibitors: Effect of carboxylic acid isosteres. W. Han, Z. Hu, X. Jiang, Z. R. Wasserman, L. J. GoreyFeret, J. L. Meek, C. P. Decicco 122. Development of translation inhibitory peptides as precursors to antiviral agents. K. S. Orwig, R. Tanveer, A. Siddiqui, T. A. Dix 123. Design, synthesis, and biological activi ty of novel nonamidine factor Xa inhibitors: Benzothiophene-anthranilamide analogs substituted on the central ring. Y-L. Chou, Κ. A. Eagen, B. D. Griedel, D. Lentz, A. Li ang, M. M. Morrissey, K. J. Shaw, S. C. Wu, M. J. Kochanny 124. Loperamide analogs as positive modu lators of calcium influx in leukemic HL-60 cells. C. A. Shapiro, C. Camerini-Otero, J. W. Daly, J. Ma, H. Ziffer 125. Synthetic approach to thysanone. H. O. Ogutu, G. A. Kraus

126. Design, synthesis, and biological activi ty of novel nonamidine factor Xa inhibitors: Replacement of the benzothiophene moi ety with substituted thiophenes. W. Lee, J. Ewing, B. D. Griedel, R. Karanjawala, D. Lentz, A. Liang, M. M. Morrissey, J. Post, K. L. Sacchi, S. T. Sakata, K. J. Shaw, B. Ye, M. J. Kochanny 127. Thiazolo- and oxazolo[4,5-c]quinolines: Novel immunostimulants. K. J. Lindstrom, J. F. Gerster, B. Tauzin, M. J. Rice, B. A. Merrill, J. W. Mickelson, G. Marszalek, F. Guzman, A. J. Simonsen, J. M. Peitersen, S. N. Bomersine, S. J. Gibson 128. Design, synthesis, and biological activi ty of novel nonamidine factor Xa inhibitors: Optimization of hydrophilic substituents for potency and oral availability. B. Ye, S. Cheeseman, Y-L. Chou, J. Ewing, R. Fitch, B. D. Griedel, R. Karanjawala, W. Lee, D. Lentz, A. Liang, M. M. Morrissey, J. Post, K. L. Sacchi, S. T. Sakata, K. J. Shaw, B. Subramanyam, R. Vergona, J. Walters, Y-X. Wang, K. A. White, S. C. Wu, Z. Zhao, M. J. Kochanny 129. Synthesis and biological activity of 3'Nmodified advanced second-generation taxoids. D. J. Gallagher, C. Qu, P. Pera, R. J. Bernacki, I. Ojima 130. Design and synthesis of de novo macrocyclic hybrids as potential anticancer agents. X. Geng, C. P. Borella, D. Li, S. Lin, P. Pera, R. J. Bernacki, I. Ojima 131. Synthesis and SAR of new taxane re versal agents. C. P. Borella, M. Strum, I. Ojima, R. J. Bernacki, P. Pera 132. Synthesis and SAR of advanced second-generation taxoids. C. P. Borella, R. Tynebor, M. Strum, I. Ojima, P. Pera, R. J. Bernacki 133. Synthesis of classical 9-ethyl, 5-substituted 2,4-diaminofuro[2,3-d]pyrimidine as an antifolate. A. Gangjee, Y. Zeng, R. L. Kisliuk, J. J. McGuire 134. Design, synthesis, and structure-activity relationships of factor Xa inhibitors con taining 3-amidinoaniline as a P1 moiety. L. Wang, T. Su, W. Huang, J. Zuckett, B. Huang, P. Wong, U. Sinha, G. Park, R. M. Scarborough, B-Y. Zhu 135. Novel sulfonate derivatives: Potent anti mitotic agents. S. L. Gwaltney II, H. M. Imade, K. J. Barr, Q. Li, L. Gehrke, R. B. Credo, R. B. Warner, J. Y. Lee, M. A. Nukkala, N. A. Zielinski, D. Frost, H. L. Sham 136. Structure-based design of potent cdk4 selective inhibitor. T. Honma, K. Hayashi, N. Kawanishi, T. Yoshizumi, N. Hashimo to, T. Sugimoto, K. Nakamura, T. Takaki, T. Machida, K. Fukasawa, H. Hirai, T. Iwama, C. Ikeura, M. Ikuta, K. Kamata, I. Suzuki-Takahashi, T. Hayama 137. Synthesis of a novel epothilone Β ana log as a potential photoaffinity label. D. Li, M. Schinner, N. Glaser, G. Hôfle, S. B. Horwitz, I. Ojima 138. Sulfur containing double-bond replacements of combretastatin A-4 as antimitotic agents. K. W. Woods, R. W. McCroskey, B. A. Steiner, Q. Li, L. Gehrke, R. B. Credo, H. Sham, S. Rosenberg 139. Antimitotic agents with activity in multidrug-resistant tumor cell lines. B. G. Szczepankiewicz, G. Liu, A. S. Tasker, B. K. Sorensen, T. W. von Geldern, H-S. Jae, M. Winn, S. L. Gwaltney II, J. A. Kester, Z. Pei, J. R. Wu-Wong, L. Gehrke, W. J. Chiou, R. B. Credo, J. Y. Lee, R. B. Warner, J. D. Alder, M. A. Nukkala, N. A. Zielinski, K. C. Marsh, S. H. Rosenberg 140. Potent, orally active heterocycle-based combretastatin A-4 analogs: Synthesis, structure-activity relationship, pharmacokinetics, and in vivo antitumor activity evaluation. L Wang, K. W. Woods, Q. Li, K. J. Barr, R. W. McCroskey, L. Gherke, R. B. Credo, Y-H. Hui, K. Marsh, R. Warner, J. Y. Lee, N. Zielinski, D. Frost, H. L. Sham, S. H. Rosenberg 141. New class of noncovalent inhibitors of the 20S proteasome. C. GarciaEcheverria, P. Imbach, D. France, P. Furst, V. Guagnano, M. Lang, M. Noorani, J. Roesel, D. Scholz, J. Zimmermann, P. Furet

• Petroleum» Fuels & Related Chemistry The Committee on Meetings & Expositions requests that there be no smoking in meeting rooms or committee meetings


138

C & E N / M A R C H 5,

2001


142. Synthesis and structure-activity relation ships of 3-cyano-4-(phenoxyanilino)quinolines as MEK (MAPKK) inhibitors. N. Zhang, B. Wu, D. W. Powell, A. Wissner, M. B. Floyd, E. D. Kovacs, L. Toral-Barza, C. Kohler 143. Structure-activity studies supporting a postulated binding mode of STI571 to Abl kinase. P. W. Manley, P. Furet, E. Buchdunger, D. Fabbro, O. Loiseleur, T. Meyer, J. Zimmermann 144. Inhibition of Src kinase activity by 4-phenylamino-3-quinolinecarbonitriles: Optimization of the aniline headpiece at C-4. Y. D. Wang, D. H. Boschelli, F. Ye, S. Johnson, M. Dutia, B. Wu, F. DeMorin, K. Miller, H-R. Tsou, N. Eudy, Y. Raifeld, D. W. Powell, J. M. Weber, F. Boschelli 145. Inhibition of Src kinase activity by 4-phenylamino-3-quinolinecarbonitriles: Optimization of the side chain at C-7. F. Ye, D. H. Boschelli, M. Dutia, D. W. Pow ell, D. Yaczko, M. Young, M. Tischler, C. Discafani, J. Lucas, J. Gibbons, C. Eti enne, Κ. Arndt, J. M. Weber, F. Boschelli 146. Synthesis and biological evaluation of new lavendustin A analogs. F. Mu, M. Cushman, D. J. Riese, R. L. Geahlen, P. Verdier-Pinard, E. Hamel, J. Johnson 147. Design and synthesis of 1,5-diarylbenzimidazoles as inhibitors of the VEGFreceptor KDR. M. T. Bilodeau, K. E. Coll, A. M. Cunningham, W. R. Huckle, R. W. Hungate, R. L. Kendall, T. J. Koester, R. C. McFall, X. Mao, R. E. Rutledge, K. A. Thomas 148. Advancement of a novel class of KDR kinase inhibitors: Optimization of potency and physical properties. M. E. Fraley, K. L. Arrington, K. E. Coll, S. R. Hambaugh, W. R. Huckle, R. W. Hungate, R. L. Ken dall, R. C. McFall, R. S. Rubino, R. E. Rutledge, K. A. Thomas Jr. 149. New structural class of KDR kinase in hibitors: Initial SAR of the screening lead. M. E. Fraley, W. F. Hoffman, W. F. Huck le, R. W. Hungate, R. L. Kendall, R. C. McFall, R. S. Rubino, R. E. Rutledge, K. A. Thomas Jr. 150. Chemistry and biological characteriza tion of CGP79807, a highly selective CDK1/2 inhibitor. H-G. Capraro, J. Bruggen, G. Caravatti, R. Cozens, P. Furet, T. Geiger, P. Imbach, T. Meyer, T. O'Reilly, G. Rihs, S. Ruetz, J. Zimmermann 151. Synthesis and biological evaluation of carboranyl thymidines for BNCT. G. Y. Cosquer, J. Wang, C. Naeslund, D. M. Adams, W. Ji, J-C. Zhuo, A. K. M. Anisuzzaman, S. Sjoberg, R. F. Barth, S. Eriks son, W. Tjarks 152. Aryloxy substituted /V-arylpiperazinones as dual inhibitors of prenyl-protein trans ferases. J. M. Bergman, C. BuserDoepner, J. B. Gibbs, D. C. Heimbrook, H. E. Huber, K. S. Koblan, N. E. Kohl, R. B. Lobell, A. I. Oliff, S. M. Stirdivant, S. L. Graham, G. D. Hartman, T. M. Williams, C. J. Dinsmore 153. Computational and combinatorial chem istry-based approach to farnesyltransferase inhibitors. J. G. Park, T. M. Kollmeyer, K. Xu, F. G. Prendergast, Y-P. Pang 154. 2-Arylindole-3-acetamides as FPPcompetitive inhibitors of farnesyltransferase. A. G. Quigley, W. C. Lumma, J. T. Sisko, E. S. Walsh, C. Hamaan, R. Robin son, H. Bhimnathwala, D. G. Kolodin, W. Zheng, C. A. Buser, H. E. Huber, R. B. Lo bell, N. E. Kohl, T. M. Williams, S. L. Gra ham, C. J. Dinsmore, B. W. Trotter 155. Synthesis and evaluation of novel pyrrolidinone-based farnesyltransferase inhibitors. S. N. Gallicchio, L. S. Beese, I. M. Bell, D. C. Beshore, C. Buser-Doepner, J. B. Gibbs, S. L. Graham, G. D. Hartman, D. C. Heimbrook, K. Kassahun, K. S. Ko blan, N. E. Kohl, R. B. Lobell, D. A. Rodrigues, J. S. Taylor, T. M. Williams 156. Synthesis and biological activity of A/-arylacylpiperazines as dual inhibitors of farnesyl protein transferase and geranylgeranyl protein transferase I. C. A. Stump, T. M. Williams, D. N. Nguyen, S. L. Graham, C. A. Buser, N. E. Kohl, H. E. Huber, R. B. Lobell


157. Potent, bioavailable, and efficacious oxazoline antimitotic agents. S. L. Gwaltney II, K. J. Barr, L. Wang, A. Claiborne, H-S. Jae, G. Liu, H. M. Imade, K. W. Woods, R. W. McCroskey, Q. Li, A. S. Tasker, T. von Geldern, L. Gehrke, R. B. Credo, R. B. Warner, J. Y. Lee, Y. H. Hui, K. Marsh, M. A. Nukkala, N. A. Zielinski, D. Frost, S. Rosenberg, H. L. Sham 158. Monocyclic potential dual inhibitors of dihydrofolate reductase and thymidylate synthase. A. Gangjee, X. Song, R. L. Kisliuk, S. F. Queener 159. Synthesis and biological evaluation of boronated folates for BNCT. S. Shukla, M. Sekido, W. Guo, D. M. Adams, L. A. Diop, J. Sudimack, X. Q. Pan, R. J. Lee, R. F. Barth, W. Tjarks 160. Folate receptor targeting of nonpolyglutamatable inhibitors of thymidylate syn thase. E. A. Henderson, V. Bavetsias, D. S. Theti, A. L. Jackman 161. Design, synthesis, and biological activi ty of classical /V4[2-amino-4-substituted[(pyrrolo[2,3-olpyrimidine-5-yl)ethyl] benzoylt]-L-glutamic acids as dual inhibi tors of dihydrofolate reductase and thymi dylate synthase. A. Gangjee, J. Yu, N. P. Dubash, R. L. Kisliuk, J. J. McGuire 162. 2,4-Diamino-6-oxo-5-(substituted phenyl)ethylamino pyrimidines as inhibitors of folate metabolizing enzymes. A. Gangjee, Y. Wang, S. F. Queener, R. L. Kisliuk 163. Synthesis and biological activity of gly cosylated indolocarbazoles. M. G. Saulnier, D. B. Frennesson, N. Balasubramanian, B. H. Long, K. M. Bedingfield, D. R. St. Laurent, B. N. Naidu, J. T. Eummer, K. Zimmermann, E. Ruediger, M. Mahler, F. Beaulieu, C. Bachand, F. Y. Lee, C. R. Fairchild, W. C. Rose, D. M. Vyas 164. Synthesis of terpyridine derivatives and their topoisomerase I inhibitory activities. E-S. Lee, L-X. Zhao, S-H. Ahn, T-H. Kim, E-K. Kim, W-J. Cho, T. Kim, C-S. Lee, H-T. Lim 165. Interactions between anthracyclines and calsequestrin: Implications for anthracycline cardiotoxicity. S. S. Frink, R. D. Ol son, S. E. Shadle 299. Molecular dynamics simulations of cathepsin B. M. D. Perry Jr., C. M. Compadre, R. L. Compadre

MONDAY MORNING Section A Convention Center Room 2 General Oral Papers: First-Time Disclosure of Clinical Candidates

D. A. Trainor, Organizer B. Balasubramanian, Presiding 8:30—166. BMS-250749: A novel topo isomerase I selective agent with broadspectrum antitumor activity against pre clinical models. Β. Ν. Balasubramanian, B. H. Long, M. G. Saulnier, D. B. Frennes son, K. M. Bedingfield, D. R. St. Laurent, K. Zimmermann, B. N. Naidu, J. T. Eum mer, E. Ruediger, M. Mahler, F. Beaulieu, C. Bachand, F. Y. Lee, C. R. Fairchild, W. C. Rose, D. Vyas 9:10—167. Discovery and preclinical phar macology of ERA-923, a new SERM for the treatment of estrogen-receptorpositive breast cancer. C. P. Miller, L. M. Greenberger, T. Annable, M. D. Collini, B. D. Tran, B. S. Komm, P. Frost, J. P. Yardley, C. R. Lyttle, M. A. Abou-Gharbia 9:50—168. Discovery of nonpeptide δ-opioid receptor agonists. G. N. Maw 10:30—169. Discovery of SCH 211803: A potent and highly selective muscarinic M2 antagonist and a promising new approach to the treatment of Alzheimer's disease. T. Asberom, W. Billard, H. Binch, J. W. Clader, K. Cox, G. Crosby, R. A. Duffy, J. Ford, W. Greenlee, H. Guzik, J. A. Kozlowski, J. E. Lachowicz, S. Li, C. Liu, D. Lowe, S. McCombie, V. B. Ruperto, C. Strader, L. A. Taylor, S. Vice, H. Zhao, G. Zhou 11:10—170. Discovery of the potential anti psychotic PNU-177864, a selective do pamine D3 receptor antagonist, using high-throughput analoging techniques. A. G. Romero, W. H. Darlington, J. A. Leiby

Section Β Convention Center Room 5A-B * PPAR Receptors: Therapeutic Opportunities

D. P. Rotella, Organizer 9:30—Introductory Remarks. 9:35—171. Regulation of macrophage gene expression and the development of ath erosclerosis by PPAR γ. C. K. Glass, A. C. Li, M. Ricote, J. Welsh, W. Palinski, J. Witztum, J. Huang, T. Willson, K. Brown 10:15—172. Insulin sensitizers: PPAR γ ago nist or an alternate pathway. Β. Β. Lohray 10:45—173. Discovery of selective modula tors of the peroxisome proliferatoractivated receptors using combinatorial chemistry. J. L. Collins 11:15—174. Is there still room for another thiazolidinedione PPAR γ selective ago nist? S. P. Sahoo 11:45—175. PPAR-oc, γ coagonists for the treatment of type 2 diabetes and cardio vascular risk factors. D. A. Brooks 12:15—176. Nuclear receptors in obesity, di abetes, and cardiovascular disease. R. M. Evans Ε. Β. Hershberg Award for Important Discoveries in Medicinally Active Substances cosponsored with Division of Organic Chemistry (see page 148) * Solid- and Solution-Phase Syntheses and Techniques: Generation of Combinatorial Libraries Symposium cosponsored with Division of Organic Chemistry (see page 148)

MONDAY AFTERNOON Section A Convention Center Room 2

2:50—185. Potent and exceptionally selec tive, nonpeptidic δ-opioid receptor ago nists as candidate drugs for pain. C. Walpole, N. Plobeck, Z-Y. Wei, D. Delorme, W. Brown, B. Takasaki, F. Zhou, H. Yang, P. Jones, L. Gawell, R. Schmidt, P. Schwarz Yue, K. Payza, S. St-Onge, M. Labarre, C. Godbout, A. Jakob, J. Butterworth, A. Kamassah, J. Ducharme, P-E. Morin, D. Projean, T-M. Tu, E. Roberts 3:30—186. Design and synthesis of potent and selective, orally active NK1 receptor antagonists. H. Stadler, M. Boes, T. M. Ballard, G. Galley, T. Godel, G. A. Higgins, T. Hoffmann, W. Hunkeler, S. M. Poli, P. Schnider, A. J. Sleight 4:10—187. Discovery of GABAA a5 subtype selective inverse agonists as cognition en hancers. A. M. MacLeod, G. R. Dawson, G. Pillai, S. Cook, J. R. Atack, A. J. Reeve, R. A. Jelley, R. Carling, L. J. Street, R. M. McKeman, K. Wafford, P. Laughton, R. Hill, N. Collinson, P. Whiting, J. L. Castro

TUESDAY MORNING Section A Convention Center Room 6A Award Symposium

W. J. Greenlee, Organizer 8:30—188. Search for next-generation HIV protease inhibitors: The discovery of DPC 681 and DPC 684. G. L. Trainor 9:15—189. Rational design and therapeutic application of metalloproteinase inhibitors of TNF-oc. C. P. Decicco 10:00—190. Award Address (ACS Award in Industrial Chemistry). 2001 Chemistry in industry. P. S. Anderson 10:45—191. Lead optimization by parallel synthesis. J. W. Ellingboe 11:30—192. Design and synthesis of VLA-4/ VCAM antagonists. D. M. Huryn

* Orphan Nuclear Receptors

Section Β

Cosponsored with Biotechnology Secretariat

J. R. Falck, Organizer 1:30—Introductory Remarks. 1:31—177. Withdrawn. 1:35—178. Metabolic regulation through or phan nuclear receptors. T. M. Willson 2:15—179. Orphan nuclear receptors: New hormone signaling pathways and drug dis covery opportunities. J. M. Lehmann, P. Coward, T. Hoey, F. Kayser, K. Lustig, B. Shan, A. K. Shiau 2:55—180. Discovery and optimization of ac tivators of the nuclear receptor LXRa. J. C. Medina, L. Li, S. Cutler, H. Hasegawa, J. Liu, L. Zhu, J. R. Schultz, B. Shan 3:35—181. Biological connections between LXR, RXR, and lipid homeostasis. J. J. Repa, N. Y. Kalaany, D. J. Mangelsdorf 4:15—182. Rexinoid heterodimer signaling pathways as targets for drug discovery. M. Boehm

Section Β Convention Center Room 6A EFMC Symposium

E. Kyburz, Organizer 1:30—183. Design of specific ionotropic glu tamate receptor ligands: From redesign of natural products to rational approaches. P. Krogsgaard-Larsen 2:10—184. Characterization of the noncom petitive binding site of group I metabotropic glutamate receptor using new potent and selective ligands. F. Gasparini, A. Pagano, D. Ott, P. Floersheim, P. J. Flor, N. Stoehr, M. Heinrich, I. Vranesic, R. Kuhn

Convention Center Room 2 General Oral Papers III

R. A. Gatemmo, Presiding 8:30—193. High-throughput natural product chemistry for drug discovery. L. Zeng, P. Cremin, C. Lee, M. O'Neil-Johnson, L. Caporale 8:50—194. Extensively modified antimicrobi al peptides from marine invertebrates. S. W. Taylor, A. G. Craig, J. A. Tincu, W. H. Fischer, M. Park, R. I. Lehrer 9:10—195. Natural diversity and directed molecular evolution: The next generation. G. Frey, E. Mathur, J. Short 9:30—196. Rational design of ligands for guanylyl cyclase C. H. R. Wolfe, S. A. Waldman 9:50—197. Biosynthesis of the vancomycin group of antibiotics: Involvement of an un usual dioxygenase in the pathway to (S)4-hydroxyphenylglycine. J. B. Spencer, O. W. Choroba, D. H. Williams 10:10—198. Direct synthesis of tetrangulol. N. Zhang, G. A. Kraus, J. H. Jensen 10:30—199. Synthesis and antitrypanosomal activity of novel dicationic "reversed amidines" in the 2,5-diarylfuran series. C. E. Stephens, R. Brun, J. E. Hall, D. W. Boykin 10:50—200. Structure-activity relationships of a potent and selective CA2+ receptor antagonist. J. F. Callahan, L. Barton, W. M. Bryan, J. L Burgess, R. DelMar, J. Fox, J. G. Gleason, P. Gorycki, M. Gowen, W. F. Huffman, A. M. Lago, E. Nemeth, T. T. Nguyen, B. R. Smith, G. Stroup, P. K. Bhatnagar 11:10—201. Improved binding affinity of fluorine-substituted inhibitors to carbonic anhydrase II. C-Y. Kim, D. W. Christianson Advances in 3-D Searching and Pharmacophores cosponsored with Division of Chemical Information (see page 98)


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MEDIATECHNICAL PROGRAM

TUESDAY AFTERNOON Section A Convention Center Room 6A Award Symposium

W. J. Greenlee, Organizer 1:45—202. Award Address (Earle B. Barnes Award for Leadership in Chemical Research Management, sponsored by Dow Chemical Co.). Strategies for lead optimization: Discovery of new drug candi dates. M. Abou-Gharbia 2:30—203. Synthesis, analysis, and applica tion of peptide mimics that control confor mation by steric and structural constraints. W. D. Lubell 3:15—204. Structure and function in β-peptide foldamers. S. H. Gellman 4:00—205. Award Address (Ralph F. Hirsch mann Award in Peptide Chemistry, spon sored by Merck Research Laboratories). Design and discovery of molecular con straints to improve biological activity. D. F. Veber

Section Β Convention Center Room 2

3:00—212. Synthesis and structure-activity relationships of a novel series of 2-arylpyrazolo[1,2a]pyrimid-7-ones as potent GnRH receptor antagonists. Y-F. Zhu, K. Wilcoxen, P. Connors, Y. Gao, N. Ling, T. Gross, Z. Guo, G. Reinhart, J. Saunders, S. Struthers, F. Tucci, C. Chen 3:20—213. Design, synthesis, and structureactivity relationships of novel 2-arylimidazolo[1,2-a]pyhmid-4-ones as potent GnRH receptor antagonists. T. Gross, Y-F. Zhu, K. Wilcoxen, S. Struthers, J. Saunders, Y. Gao, P. Connors, Z. Guo, G. Reinhart, N. Ling, C. Chen 3:40—214. Orally active 3-(3-pyridyl)pyrazolo[1,5-aJpyrimidines as nonpeptide CRF1 receptor antagonists. C. Chen, K. Wilcoxen, H. Bozigian, T. Chen, M. Cha, J. R. McCarthy, C. Q. Huang, M. Haddach, Y-F. Zhu, B. Murphy, E. B. De Souza, D. E. Grigoriadis 4:00—215. Permeability study of small drug like molecules carrying a variety of polar functional groups. T. Fichert, M. Yazdanian, J. Proudfoot 4:20—6. Biological activity and mechanism of action of a novel class of enediyne pro drugs. W-M. Dai, A. Wu, S-l. Nishimoto * Advances in 3-D Searching and Pharmacophores cosponsored with Division of Chemical Information (see page 99)

General Oral Papers IV

WEDNESDAY MORNING

A. Stanford, Presiding 1:00—206. Inhibitors of β-amyloid toxicity: Identifying molecules that recognize β-amyloid peptide. C. W. Cairo, L. L. Kiessling, R. M. Murphy 1:20—207. Design and discovery of nonpep tide antagonists for corticotrophin-releasing factor receptor: Neurocrine multi channel approach. X. C. Wang, J. Saun ders 1:40—208. ABT-702: An orally active, nonnucleoside adenosine kinase inhibitor. C-H. Lee, M. Jiang, M. Cowart, R. Perner, K. Kim, S. Muchmore, C. Jacob, Y. G. Gu, M. Williams, M. Jarvis, E. Kowaluk, A. O. Stewart, S. Bhagwat 2:00—209. Discovery of UKs 240,455 and 315,716: CNS penetrant glycine site NMDA receptor antagonists with potential utility in treating stroke. C. E. Mowbray, D. J. Bull, P. Butler, C. L. Carr, A. Maclnnes, J. Fray, S. Jezequel, M. C. MacKenny, A. McElroy, J. G. Pryke, R. O'Donnell, E. C. L. Gautier, M. J. Pitcher, K. A. Reeves, A. Stobie, J. Urenjak, R. Webster 2:20—210. Synthesis and structure-activity studies of bisheteroaryl guandines as NPY-Y5 antagonists. J. Ramanjulu, C. Aquino, F. Palazzo, D. Heyer, A. Daniels, T. Burnette 2:40—211. Novel α 1a-selective anilinomethylimidazolines for the treatment of stress urinary incontinence. M. J. Bishop, D. L. Saussy Jr., D. L. Anderson, P. G. Baer, J. Berman, E. C. Bigham, C. Zibin, M. A. Col lins, D. T. Garrison, M. J. Gobel, S. J. Hodson, P. E. Irving, J. A. Liacos, F. Navas, J. D. Speake, D. J. Minick


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Section A Convention Center Room 6A Accelerating Drug Discovery: New Advances in Structure-Based Drug Design Technologies Cosponsored with Biotechnology Secretariat

Section C Convention Center Sails Pavilion Poster Session

D. A. Trainor, Organizer 8:30-11:30

P. Y. S. Lam, Organizer 9:30—216. Ligand-based drug discovery against RNA using mass spectrometry. E. E. Swayze, S. A. Hofstadler, K. Lowery, J. Drader, E. A. Jefferson, S. Osgood, Y. Ding, K. G. Sprankle, R. H. Griffey 10:10—217. Applications of NMR SHAPES screening in drug discovery. J. M. Moore, J. Fejzo, C. A. Lepre, J. W. Peng, N. Abdul-Manan 10:50—218. Development of high-through put technologies for protein crystallogra phy and structure-based drug design. R. C. Stevens 11:30—219. Structure-based discovery of novel influenza neuraminidase inhibitors. K. D. Stewart 12:10—220. Integrated, iterative approach to the drug discovery process. D. C. Spellmeyer

Section Β Convention Center Room 2 General Oral Papers V

T. S. Hagne, Presiding 8:30—221. National Cancer Institute initia tives, resources, and opportunities for col laboration in the development of therapeu tics. B. Gabrielsen, M. Boyd, G. Cragg, E. Hamel, C. Harris, J. Johnson, S. Le Grice, Y. Pommier, A. Roberts, T. Schneider, R. Shoemaker, K. Sybert 8:50—222. Design, synthesis, and biological evaluation of novel doxorubicin and paclitaxel prodrugs, targeted on the tumorassociated protease plasmin. F. M. H. deGroot, L. W. A. van Berkom, A. C. W. de Bart, J. H. Verheijen, H. W. Scheeren

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9:10—223. Synthesis of CPI-0004Na, a dox orubicin tap prodrug. S. Gangwar, E. Lewis, P. Viski, T. Lobl, A. Trouet, K. Van Derpooten, V. Dubois, A. M. Fernandez 9:30—224. Asymmetric synthesis and antitu mor properties of (S,S,fl)-(-)-actinonin and its analogs. E. S. Vidal, F. Sirotnak, D. A. Scheinberg, H. I. Scher, W. G. Bornmann 9:50—225. Potent, selective, and orally ac tive antagonists of integrin ανβ3 as tumor angiogenesis inhibitors: The discovery of the S 257 class of integrin antagonist. T. E. Rogers, P. G. Ruminski, J. G. Rico, H-F. Lu, P-J. Colson, A. K. Awasthi, S. R. Nagarajan, B. Devadas, J. W. Malecha, N. S. Chandrakumar, G. A. Nickols, W. F. Westlin, D. M. Meyer, J. L. Keene, S. L. Settle, C. P. Carron, V. W. Engleman, S. K. Freeman, K. E. Shannon, D. L. Knoerzer, M. M. Westlin, M. A. Nickols 10:10—226. MX2060, a rapid apoptosisinducing natural product with potent antitu mor activity. S. X. Cai, H-Z. Zhang, Y. Wang, J. Guastella, J. Drewe, M. Tran, B. Tseng, S. Kasibhatla 10:30—227. Structure-aided approach for lead optimization: Application to farnesyl transferase inhibitors. A. Laoui 10:50—228. Discovery of novel inhibitors of tyrosine kinases. T. R. Webb, D. Lvovskiy, M. C. Heinrich, J. W. H. Yee 11:10—229. (2A5)-1a-Hydroxy-vitamin D5, the epimer of the novel cancer chemopreventive agent 1a-hydroxy-vitamin D5. R. M. Moriarty, D. Albinescu, R. Mehta

230. 4-Substituted piperidines: Potent, selec tive agonists of the human p3-adrenergic receptor. M. A. Ashwell, W. R. Solvibile Jr. 231. Synthesis of novel aryl-amino substitut ed 1,2,5-thiadiazolyl-1,1-dioxides as se lective β3 adrenergic receptor agonists. W. F. Fobare, J. Freymuller, E. J. Trybulski, S. C-H. Han, J. Tillet, Ε. Ε. Largis 232. SAR development of novel substituted 2-(S)-hydroxy-3-(piperidin-4-yl-methylamino)-propyl ethers and substituted 2-aryl-2-(fl)-hydroxy-1-(piperidin-4-ylmethyl)-ethylamine compounds as potent and selective human β3 agonists. R. J. Steffan, M. A. Ashwell, W. R. Solvibile, E. Matelan 233. 4-Piperidino-benzoic acid derivatives: Potent and selective human β3 agonists. B. Hu, M. Malamas, F-W. Sum, A. Oli phant, I. Gunawan, Z. Li, V. Wong, C. Niu, T. Singanallore, J. W. Ellingboe, E. Largis, S. Han, J. Tillett 234. Novel 4-piperidino-anilines as human β3 agonists. B. Hu, A. Oliphant, F-W. Sum, K. Lim, V. Wong, C. Niu, T. Singanallore, J. W. Ellingboe, M. Malamas, S. Han, J. Tillett, E. Largis 235. Withdrawn. 236. Identification of novel α 1a-selective phenoxymethylimidazolines. M. J. Bish op, K. K. Barvian, D. T. Garrison, S. J. Hodson, F. Navas, J. D. Speake, D. L. Saussy Jr., P. G. Baer, Z. Chen, D. L. Anderson, J. A. Liacos, M. A. Collins, P. E. Irving, M. J. Gobel, J. Berman, B. Sher man 237. Selective, nonpeptide antagonists for the glucagon receptor: Substituted imid azoles. L. L. Chang, K. L. Sidler, B. Li, S. de Laszlo, N. Mantlo, M. MacCoss, G. Koch, S. O'Keefe, M. Pang, A. Rolando, M. A. Cascieri, W. K. Hagmann

238. Discovery of potent PPAR α and PPAR γ dual agonists. J. A. Oplinger, P. K. Spearing, J. L. Collins, K. D. Plunket, M. Lewis, W. Oliver Jr., T. Tong, G. Alva 239. PPAR γ/α dual agonists: SAR studies of vinylogous amide tyrosine analogs. P. K. Spearing, J. A. Oplinger, B. R. Henke, J. L. Collins, L. Leesnitzer, D. J. Parks, K. D. Plunket 240. Discovery of novel arylthiazolidinedione derivatives as selective PPAR γ agonists for the treatment of type II diabetes mellitus. J. P. Bergman, W. Han, E. Metzger, J. K. Boueres, D. F. Gratale, R. L. Tolman, K. MacNaul, J. P. Berger, G. Zhou, T. W. Doebber, D. E. Moller, S. P. Sahoo 241. Novel class of aryl thiazolidinedione PPAR agonists as insulin-sensitizing agents for the treatment of type II diabetes mellitus. J. K. Boueres, W. Han, C. Santini, C. O. Liang, R. L. Tolman, K. L. McNaul, J. P. Berger, G. Zhou, T. W. Doeb ber, D. E. Moller, S. P. Sahoo 242. Design and synthesis of water-soluble novel cyclic amide-containing transitionstate inhibitors of human neutrophil elastase. Y. Inoue, T. Omodani, R. Shiratake, S. Honda, F. Sato, K. Imano, H. Okazaki, T. Takemura, M. Komiya, Y. Kyoya, M. Kurono 243. Novel peptidyl trifluoromethyl ketone in hibitor of human neutrophil elastase. T. Omodani, Y. Inoue, R. Shiratake, S. Hon da, F. Sato, K. Imano, H. Okazaki, T. Kubo, A. Kuromiya, T. Takemura, M. Komiya, Y. Kyoya, M. Kurono, J. Tuji 244. Discovery of Sch 62373 and analogs, a novel series of 2-phenylpiperazines exhib iting potent dual NK^NKa antagonist activ ity. D. J. Blythin, X. Chen, J. J. Piwinski, N-Y. Shih, H-J. Shue, J. C. Anthes, A. T. McPhail 245. Chemical genetics for the discovery of bioavailable ligands. J. J. Higgin, L. Fried man, R. T. Raines 246. Potent antagonists of leukocyte func tion-associated antigen-1/intracellular ad hesion molecule-1 interaction. Z. Pei, Z. Xin, G. Liu, Y. Li, M. Winn, J. T. Link, T. von Geldern, E. Reily, S. Leitz, P. DeVries, Y. Gao, G. F. Okasinski 247. Substituted 4-(2,2-diphenylethyl)pyridine-/V-oxides as phosphodiesterase-4 in hibitors: SAR study directed toward the improvement of pharmacokinetic parame ters. R. Frenette, M. Blouin, C. Brideau, C. Chan, N. Chauret, Y. Ducharme, R. W. Friesen, Y. Girard, P. Hamel, Z. Huang, T. Jones, F. Laliberté, C. Li, P. Masson, M. McAuliffe, D. Nicoll-Griffith, J. Silva, J. Yergey, R. N. Young 248. Structure-activity relationships in a new class of tryptase inhibitors. S. A. Bolton, G. S. Bisacchi, D. Gaitonde, K. S. Hartl, M-H. Huang, G. Jacobs, M. L. Ogletree, Z. Pi, W. A. Slusarchyk, J. Sutton, U. Treuner, G. Zhao, R. Zahler, S. M. Seller 249. Synthesis and SAR of a 4-carboxy-2azetidinone series of mechanism-based tryptase inhibitors. J. Sutton, G. S. Bisacchi, S. A. Bolton, K. S. Hartl, M-H. Huang, G. Jacobs, M. L. Ogletree, Z. Pi, W. A. Schumacher, W. A. Slusarchyk, U. Treuner, G. Zhao, R. Zahler, S. M. Seiler 250. Design of potent and highly selective inhibitors of human tryptase. W. A. Slusarchyk, G. S. Bisacchi, K. S. Hartl, M-H. Huang, G. Jacobs, M. L. Ogletree, J. Sutton, U. Treuner, G. Zhao, R. Zahler, S. M. Seiler 251. Comparison of the PDE4 activities of Ariflo (SB 207499) with related 4-acetylenic substituted cyclohexyl alcohols and amines. J. M. Karpinski, M. S. Barnette, S. Bochnowicz, M. Burman, L. B. Cieslinski, D. C. Underwood, T. J. Torphy, P. E. Bender, C. J. Forster, A. Freeman, S. B. Christensen IV 252. Synthesis and evaluation in vitro of bioreductively activated prodrugs of antiinflammatory agents. S. Ferrer, D. P. Naughton, D. R. Blake, M. D. Threadgill

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253. Novel P2X7 receptor antagonists. L. Alcaraz, J. Bent, K. Bowers, D. Donald, M. Fagura, M. Furber, C. Laurent, M. Lawson, M. Mortimore, M. McCormick, M. Robertson 254. Kv1.3 inhibitors from correolide modifi cation of Ε-ring. J. Bao, R. K. Baker, F. Kayser, W. H. Parsons, K. M. Rupprecht 255. Aminohexane derivatives as Kv1.3 in hibitors. S. Miao, R. K. Baker, J. Bao, F. Kayser, W. H. Parsons, Κ. Μ. Rupprecht 256. Small-molecule antagonists of LFA-1 mediated cell adhesion. J. E. Emeigh, B-J. Bormann, L. L. Frye, D. D. Jeanfavre, D. W. McNeil, G. H. Nabozny, D. W. Stefany, J. R. Woska Jr., J-P. Wu, R. Zindell, R. Zinter, T. A. Kelly 257. Synthesis and anti-inflammatory effica cy of a series of novel 6-methoxy-2naphthylacetic acid prodrugs. J. A. Riggs, T. A. Dyakonov, M. Harris, D. Surguladze, W. R. Anderson, S. Myung, M. S. Jones, M. Smalley, N. Ekwuribe 258. New class of orally bioavailable CXCR2 antagonists. Q. Jin, H. Nie, Β. W. McCleland, J. D. Elliott, J. M. Lee, D. M. Schmidt, H. M. Sarau, J. R. White, K. A. Dede, A. J. Jurewicz, R. A. Luzietti, J. J. Foley, P. Gorycki, K. L. Salyers, K. Widdowson 259. Synthesis of 5S,12fî,18fî-triHEPE, a novel polyunsaturated eicosanoid. N. A. Petasis, G. Bernasconi, C. N. Serhan 260. Rational design of nonsteroidal glucocorticoid receptor ligands. N. Shah, T. Scanlan 261. Synthesis and in vitro potency of α\/β3 receptor antagonists: A library approach to RGD-mimetics incorporating novel 3-substituted β-alanines. C. A. McVean, B. C. Askew, M. J. Breslin, C. A. Hunt, C-T. Leu, R. S. Meissner, R. Nagy, J. J. Perkins, S. Rodan, Μ. Ε. Duggan 262. Synthesis and in vitro potency of α\/β3 receptor antagonists: A directed approach to RGD-mimetics incorporating novel 3-substituted β-alanines. K. Brashear, P. J. Coleman, J. H. Hutchinson, W. Halczenko, C. A. McVean, M. E. Duggan, G. D. Hartman, W. F. Hoffman, C. A. Hunt, S. Rodan, G. A. Rodan, C-T. Leu, T. Prueksaritanont, C. Fernandez-Metzler, B. Ma, L. Libby, K. Merkle, G. Stump, A. Wallace, R. Lynch, J. J. Lynch Jr. 263. Design and synthesis of α\/β3 receptor antagonists containing a pyrazinone or pyridone central scaffold. M. J. Breslin, W. Halczenko, M. E. Duggan, L. Gorham, C. Fernandez-Metzler, W. F. Hoffman, C. A. Hunt, C-T. Leu, K. Merkle, R. Nagy, A. M. Naylor-Olsen, T. Prueksaritanont, S. Rodan, G. Stump, A. Wallace, J. H. Hutchinson 264. Design, synthesis, and oral efficacy of novel vitronectin receptor antagonists in tumor models. I. K. Khanna, N. S. Chandrakumar, B. Devadas, B. N. Desai, A. F. Gasiecki, R. Huff, P. G. Ruminski, M. A. Russell, Y. Yu, C. P. Carron, T. Duffin, W. Engleman, S. Freeman, J. L. Keene, D. M. Meyer, G. A. Nickols, M. A. Nickols, J. A. Pegg, S. L. Settle, M. M. Westlin, W. F. Westlin 265. Solution-phase array synthesis of selec tive cathepsin Κ inhibitors. Q. Lu, S. K. Thompson, T. A. Tomaszek, D. G. Tew, D. F. Veber 266. Withdrawn. 267. Novel route to the synthesis of 2-amino1'-hydroxy methyl ketones and their appli cation as cathepsin Κ inhibitors. R. V. Mendonca, S. Venkatraman, Z-Q. Tian, A. Alvarado, J. T. Palmer, E. Springman 268. Significance of S3 subsite toward poten cy and selectivity in cathepsin K. S. Ven katraman, R. V. Mendonca, J. T. Palmer, J. McCarter, S. Sideris, A. Alvarado, E. Springman

269. Molecular modeling and 3-D QSAR analysis of the inhibition of cytochrome P450 3A4 (CYP3A4) by dillapiol and its derivatives. K. Wang, J. W. Budzinski, B. C. Foster, T. Durst, J. T. Arnason, C. M. Compadre 270. Synthesis of fluorinated antitubercular agents. F. Kobarfard, J. Kauffman, C. J. Kelley 271. Studies on some purine, pyrimidine, and pyridine analogs as antimycobacterial agents. V. Pathak, L. E. Seitz, A. K. Pathak, W. J. Suling, J. A. Maddry, R. C. Reynolds 272. Fluorescent glycofuranosyl disaccharides as probes for arabinosyl and galacto syl transferase activity in Mycobacterium tuberculosis. A. K. Pathak, V. Pathak, L. E. Seitz, N. Bansal, J. A. Maddry, R. C. Reynolds 273. Synthesis and antimycobacterial activity of pyrazine and quinoxaline derivatives. L. E. Seitz, W. J. Suling, R. C. Reynolds 274. Substrate specificity investigations on the JadF oxygenase. U. Rix, D. Hoffmeister, A. Bechthold, J. Rohr 275. Ascidian antimicrobial peptides: Activity and molecular origins. J. A. Tincu, S. W. Taylor, A. G. Craig, R. I. Lehrer 276. Biological activity of liposomes incorpo rating synthetic gal-cer analogs. R. Y. LaBell, S. W. Jeong, R. Ramakrishnan, N. Ahmad, J. Gervay-Hague, D. F. O'Brien 277. Electrospray ionization mass spectrometric study of the association of the nat ural antibiotic pyocyanin with metal ions in aqueous media. D. Vukomanovic, J. A. Stone 278. Synthesis of saccharosamine and 4-ep/vancosamine and their analogs. P. G. Wang, Y. Chen 279. Determining the binding specificity of UDP-galactopyranose multase using natu ral and nonnatural substrate analogs. M. L. Soltero, A. L. Marlow, L. L. Kiessling 280. Inhibition of trypanothione reductase and antitrypanosomal activities of Λ/-(3phenylpropyl) polyamine derivatives. M. C. O'Sullivan, M. Kobaslija, B. Ganem, C. Bacchi 281. Progress toward the synthesis of cyclopropyl peptidomimetics of D-ala-D-ala. N. Dunlap, X. Wang, G. Moody 282. Progress toward designed antagonists targeting cholera toxin and E. coli heatlabile enterotoxin. J. C. Pickens, E. Fan, E. A. Merritt, M. Ahn, W. G. J. Hoi 283. Crystallographic, modeling, and SAR studies of 2'-substituted-6-alkylidenepenam sulfones as inhibitors of the TEM-1 β-lactamase. K. Persson, J. D. Buynak, N. C. J. Strynadka 284. Synthesis and antiviral activity of 2'-"up"azido-2',3'-dideoxy-4'-thionucleosides. L. S. Jeong, Y. H. Park, H. O. Kim, M. W. Chun 285. Design and synthesis of new β-lactam containing compounds as β-lactamase in hibitors. V. P. Sandanayaka, G. B. Feigelson, A. S. Prashad 286. Receptor-based COM FA model of Heli cobacter pylori urease inhibitors. H. Mishra, J. Williamson, M. Avery 287. 3-D QSAR and molecular modeling studies of inhibitors of type I signal pep tidase. M. J. Gourley, D. Lincoln, J. S. Williamson 288. New antiinfective natural and semisyn thetic alkaloids from the Jamaican sponge Smenospongia aurea. J-F. Hu, M. T. Hamann 289. Synthesis of halogen substituted 3-deazaadenosine and 3-deazaguanosine nu cleosides as potential anticancer and/or antiviral agents. M-C. Liu, M-Z. Luo, D. E. Mozdziesz, T-S. Lin, G. E. Dutschman, E. A. Gullen, Y-C. Cheng, A. C. Sartorelli 290. Synthesis and biological evaluation of Land D-configurations of 2'3'-dideoxy-4'-Cmethyl-3'oxa cytidine analogs. M-C. Liu, M-Z. Luo, D. E. Mozdziesz, T-S. Lin, G. E. Dutschman, E. A. Gullen, Y-C. Cheng, A. C. Sartorelli

291. HTLV-I protease as a target for inhibitor design. V. Mariani, S. B. Shuker 292. Design and synthesis of arylated diazeniumdiolates with antileukemic activity. C. L. Bonifant, G. S. Buzard, X. Ji, S. V. Singh, P. J. Shami, J. E. Saavedra, L. K. Keefer 293. Urokinase-type plasminogen activator inhibitors. N. Squires, D. McGee, D. Allen, W. Hruzewicz, J. Spencer, P. Sprengeler, B. Katz, C. Luong, R. Mackman 294. Studies directed toward naphthamidine containing urokinase inhibitors with im proved pharmacokinetic properties. W. J. McClellan, T. W. Rockway, R. Mantei, A. Geyer, M. Wendt, M. Weitzberg, X. Zhao, D. Sauer, M. Bruncko, C. Dalton, M. Kaminski, V. Nienaber, K. Stewart, V. Giranda, C. Butler, V. Klinghofer, M. Joseph 295. Withdrawn. 296. Identification of the gilvocarcin V biosynthetic gene cluster from Streptomyces griseoflavus (Go 3592). C. Fischer, C. Oelkers, J. Rohr 297. Concise synthesis of N-linked b-aspartyl adenylate: A potent pre-transition state in termediate inhibitor of Escherichia coli asparagine synthetase B. J. Wang, Y. Ding, S. K. Boehlein, S. M. Schuster, N. G. J. Richards 298. Inhibition of steroid sulfatase activity by tricyclic coumarin sulfamates. D. Ganeshapillai, L. W. L. Woo, M. F. Mahon, A. Purohit, M. J. Reed, B. V. L. Potter, B. Malini 300. Cloning, expression, and substrate specificity of the mithramycin MtmOII oxy genase. L. L. Martin, L. Reither, J. Rohr 301. Libraries of 1 ββ-estradiol derivatives as inhibitors of steroid sulfatase and type 1 17p-hydroxysteroid dehydrogenase. M. Bérubé, L. C. Ciobanu, D. Poirier 302. Fluorescent probes of protein prenylation. T. S. Kleckley, D. F. Wiemer, S. E. Ownby, A. J. Wiemer, R. J. Hohl 303. Use of factorial design to enhance microbial reaction yields. M. Chen, S. F. D. Medeiros, J. S. Williamson 304. Novel approach for the delivery of bioactive nucleotides. S. C. Tobias, R. F. Borch 305. Molecular modeling studies of benzopyranone combinatorial libraries. S. Joomprabutra, J. L. Whetstone, R. W. Brueggemeier 306. Identification of synthetic benzopyranones as selective agents for molecular targets in breast cancer. J. L. Whetstone, S. Joomprabutra, R. W. Brueggemeier 307. Modified heteroarotinoids-anticancer activity. K. D. Berlin, C. W. Brown, D. M. Benbrook 308. Radiolabeled prodrug (1251) ammonium 2-(2'-phosphorloxyphenyl)-6-iodo-4-(3H)quinazolinone: Synthesis and biological evaluation. N-H. Ho, R. Harapanhalli, B. Dahman, J. Adelstein, A. I. Kassis 309. 3-D QSAR study of 3-arylisoquinolines as antitumor agents. W-J. Cho, E-K. Kim, T. S. Kim, S. Kim 310. Preparation, chemistry, and biological activity of phosphonoboronates. I. Pergament, M. Srebnik 311. Synthesis of 3-substituted swainsonine analogs. L. Guo, W. H. Pearson 312. Major growth suppressor of cancer cells from soybeans and figs: Isolation and elucidation of structure. S. Rubnov, Y. Kashman, R. Rabinowitz, M. Schlesinger, R. Mechoulam 313. Design and synthesis of SDF-1 analogs to investigate CXCR4 as a potential new therapeutic target for breast cancer. M. K. Condon, C. A. Sasiela, A. H. Brodie, S. C. Vigil-Cruz 314. Asymmetric synthesis of the antiandrogen (f7)-bicalutamide. K. D. James Jr., N. Ekwuribe

315. Subtype-selective modulation of the estrogen receptor at an AP-1 site. R. V. Weatherman, T. S. Scanlan 316. Site-directed mutagenesis studies on ligand-binding domain of estrogen receptor a. R. J. Unwalla, E. S. Manas, C. Miller, R. Bhat, H. Harris, W. Somers, Z. Zhang 317. New antiandrogens and 5a-reductase inhibitor based on the progesterone skeleton. E. A. Bratoeff, M. Cabeza, E. Murillo, E. Ramirez 318. Molecular modeling and 3-D QSAR analysis of the binding of bile acids to the M3 subtype of the muscarinic receptor. M. Reding, Y. Chen, K. Cheng, M. Perry, P. Zimniak, J-P. Raufman, C. M. Compadre, R. L. Compadre 319. Mechanistic origins of the valency effect: Multivalent ligand binding studied by surface plasmon resonance and isothermal titration calorimetry. J. E. Gestwicki, C. W. Cairo, F. J. Boehm, L. L. Kiessling 320. Low-temperature noncatalytic tritium labeling: Different tritiation strategies in one method. V. N. Sidorov, J. M. Backer 321. Solid-phase parallel synthesis of libraries of 17a-substituted estradiol sulfamates and phenols using the sulfamate anchor. L. C. Ciobanu, D. Poirier 322. Predictable carbon decolorization process for small scale. T. C. Williams, P. Rahn 323. Decolorization of heated solutions using a packed carbon cartridge. T. C. Williams, P. Rahn 324. Conformational studies on the somatostatin sst 4 receptor agonist NNC 269100. S. S. Mahajan, M. Crider, C. M. Compadre, M. Ankersen, C. E. Stidsen 325. Chirospecific synthesis of a conformationally restricted analog of 2'-deoxycoformycin containing a bicyclo[3.1.0]hexane pseudosugar. S. Hernandez, H. Ford Jr., V. E. Marquez 326. Synthesis and stereochemical analysis of phosphorus-containing inhibitors of glutamate carboxypeptidase. Y. Hu, C. Choy, H. Lu, A. Martinez, J. Mallari, C. Berkman 327. Novel heterocyclic analogs of nodulisporic acid A. S. Tyagarajan, P. K. Chakravarty, M. J. Wyvratt, M. H. Fisher, P. T. Meinke, D. M. Schmatz, W. L. Shoop, L. M. Warmke, M. Zakson-Aiken 328. Aminoderivatives of 2- and 4-nitrofluorobenzene: New scaffolds for combinatorial chemistry. A. Ivachtchenko, V. Chumakov, V. Popov 329. New heteroaromatic scaffolds containing 2-nitrofluorobenzene fragment. A. Ivachtchenko, A. Khizhan 330. Are sulfones and sulfonamides good hydrogen bond acceptors? A. T. Pudzianowski, D. L. Cheney, H. E. Klei, J. Z. Gougoutas, P. D. Stein, J. S. Tokarski 331. SAR of bile acid polyamine conjugates in binding and condensation of DNA. I. S. Blagbrough, A. J. Geall, D. Al-Hadithi 332. Design and synthesis of fluorescent cholesterol and lithocholic acid polyamine conjugates. A. P. Neal, I. S. Blagbrough 333. Synthesis, DNA binding, and pKa studies of cholesterol-polyamine carbamates. I. S. Blagbrough, A. J. Geall, R. J. Taylor, M. E. Earll, M. W. Eaton 334. Pharmacokinetic EPR studies of free radicals in living mice. S. Pezeshk, D. Dalhouse, A. Pezeshk 335. Effects of radiation on DNA: The role of spin labels on radical damage. K. Rice, J. Jacobson, A. Pezeshk 336. Effects of ionizing radiation on DNA: The role of spermine on radiation damage. J. Jacobson, K. Rice, A. Pezeshk 337. Use of Brnsted type LFER in the study of the mechanism of phospholipase C. C. Mihai, A. V. Kravchuk, M-D. Tsai, K. S. Bruzik

Photographing of slides and/or taping of talks is prohibited unless permission is obtained from individual presenters HTTP://PUBS. ACS.ORG/CEN

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338. Discovery of a novel, potent, orally bioavailable H3 receptor antagonist based on the 4-(1 H-imidazol-4-yl-methyl)benzene scaffold. R. Aslanian, K. D. McCormick, M. W. Mutahi, L. Duguma, N-Y. Shih, J. J. Piwinski, P. Ting, M. Albanese, S. B. Rosenblum, J. Hey, R. West, S. M. Wil liams, M. Rivelli, M. Bryant, M. DelPrado Structure-Based Data Mining cosponsored with Division of Chemical Information (see page 99)

WEDNESDAY AFTERNOON Section A Convention Center Room 6A • Protease-Activated Receptor Antagonists

W. Greenlee, Organizer 1:30—339. How coagulation proteases talk to cells: Molecular mechanisms and roles in vivo. S. R. Coughlin 2:15—340. Discovery and optimization of a novel class of thrombin receptor (PAR-1) antagonists: Potent, selective peptidemimetics based on indole and indazole templates. B. E. Maryanoff, H-C. Zhang, P. Andrade-Gordon, C. K. Derian, D. F. McComsey, W. J. Hoekstra, Κ. Β. White, B. L. Poulter, M. F. Addo, W-M. Cheung, B. P. Damiano, D. Oksenberg, E. E. Rey nolds, R. M. Scarborough 3:00—341. Nonpeptidic small-molecule an tagonists of the human platelet thrombin receptor (PAR-1). P. G. Nantermet, H. G. Selnick, J. C. Barrow, G. F. Lundell, K. E. Rittle, K. L. Glass, M. Young, J. M. Pellicore, P. L. Ngo, R. M. Freidinger, K. Prendergast, C. Condra, J. Karczewski, R. Gould, T. M. Connolly 3:45—342. Discovery of potent, nonpeptide thrombin receptor antagonists. S. Chackalamannil, Y. Xia, M. Clasby, W. Green lee, D. Doller, K. Eagen, H. Tsai, T. Asberom, Y. Lin, M. Czamiecki, H-S. Ahn, C. Foster, G. Boykow

Section Β Convention Center Room 2 General Oral Papers VI

J. C. Clader, Presiding 1:00—343. N-Substituted glycyl 2-cyanopyrrolidines as a new family of DPP-IV in hibitors and their potential use in type 2 di abetes. E. B. Villhauer, R. C. Anderson, B. Balkan, D. Barilla, J. A. Brinkman, E. Dunn, B. Dunning, E. D. Graham, Η. Η. Gu, C. M. Gutierrez, B. H. Hamilton, L A. Kwasnik, X. Li, B. L. Mangold, W. M. Maniara, R. Miserendino-Molteni, M. Mone, G. B. Naderi, K. L. Ramos, M. E. Russell, P. L. Rothenberg, R. H. Tullman, M. Val entin, R. E. Walter, S. C. Weldon, T. E. Hughes 1:20—344. Synthesis, structure-activity rela tionship, and biological evaluations of sub stituted 2,5-dihydroxyquinones as smallmolecule insulin receptor activators with antidiabetic activity. K. Liu, L. Xu, D. Szalkowski, Z. Li, V. Ding, G. Kwei, S. Huskey, D. E. Moller, J. V. Heck, B. B. Zhang, A. B. Jones

1:40—345. Cyclylamines as conformational^ restricted linkers in the design and synthe sis of novel β-3 adrenergic receptor ago nists. F-W. Sum, K. Lim, V. Wong, B. Hu, A. Oliphant, J. W. Ellingboe, I. Gunawan, Z. Li, M. Malamas, S. Han, R. Mulvey, J. Tillet, E. Largis, T. Argentieri 2:00—346. Optimization of aniline phenethanolamines as potent and selective β3 ag onists. D. E. Uehling, K. Adkison, K. Brown, C. Cowan, D. Barrett, E. Chao, D. Deaton, K. Donaldson, W. Faison, R. Hart, T. Handlon, C. Hyman, M. Lancaster, F. Lee, T. Luce, R. McFadyen, M. Paulik, B. Reitter, B. Shearer, B. Sherman, E. Sugg, T. True 2:20—347. Cationic bilayer membranes as drugs. A. M. Carmona-Ribeiro 2:40—348. Rational design of ligands for guanylyl cyclase C. H. R. Wolfe, S. A. Waldman 3:00—349. Discovery of a novel series of nonpeptidic fungal n-myristoyl transferase inhibitors. D. R. Armour, A. S. Bell, M. I. Kemp, M. P. Edwards, A. Wood 3:20—350. Discovery of fungicidal AAmyristoyl transferase inhibitors. A. S. Bell, D. R. Armour, M. P. Edwards, M. I. Kemp, A. Wood Structure-Based Data Mining cosponsored with Division of Chemical Information (see page 99)

THURSDAY MORNING Section A Convention Center Room 6A

• Drug-Membrane Interactions

•


•


Ν Materials *ΦΓ Medicinal & Pharmaceutical •


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Presidential Series

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Convention Center Room 6A * Accelerating Drug Discovery: Developments in ADME/TOX Technologies

T. Kaneko, Organizer 1:00—Introductory Remarks. T. Liston 1:15—364. Application of high-throughput ADME screening to the drug discovery process. R. J. Polzer 2:00—365. High-throughput computational models for cytochrome P450 mediated metabolism. K. Korzekwa, T. Ewing, J-P. Kocher, J. Q. Wu, J. P. Jones 2:45—366. Toxicogenomic approach for the identification of class predictors in an in vitro system: Global gene expression of HepG2 cells under oxidative stress. S. Kim, L. H. Zhang, B. Ma, M. P. Carver 3:30—367. Prediction and experimental de termination of ADME/tox properties. M. A. Murcko

A. Couper, Presiding 8:30—351. Synthesis and DNA binding stud ies of 9-anthracenyl and 9-acridinylpolyamine conjugates: Ligands designed with two discrete binding modes. I. S. Blagbrough, I. S. Haworth, S. Taylor, S. Carrington 8:50—352. Fluorescent steroidal lipopolyamine conjugates for monitoring gene de livery. A. P. Neal, I. S. Blagbrough 9:10—353. Aralkylpolyamine analogs with potent antiinfective activity. Y. Zou, Z. Wu, T. Ward, L. Weiss, C. J. Bacchi, P. M. Woster 9:30—354. Dependence between blood se rum composition and their proteolytic ac tivity. S. M. Sayitkulov, A. Y. Yazdanov, N. Q. Mukhamadiev, N. N. Berdiev 9:50—355. Prediction of human serum al bumin-drug binding affinity without albu min. T. Hanai, A. Koseki, R. Yoshikawa, T. Kinoshita, H. Honma 10:10—356. Alkoxymethyl and benzoxymethyl ethers of fluorescent dyes as sen sitive sensors of CYP450-drug interac tions. G. Zlokarnik, C. Tran, L. P. Volak, M. M. Andrew, T. Drysdale, U. Shah, T. Cleveland, L. R. Makings 10:30—357. Natural products characteriza tion: Analysis of mass-limited samples us ing 3-mm microCryoProbe. M. O'NeilJohnson, R. Withers, R. Nast, B. Potts, A. Deese, J. Pease, Y. Liu 10:50—358. Design of photoreversible hy drogels aimed at biomedical applications. Y. Zheng, Q. Huo, M. Micic, R. M. Le blanc, F. Andreopoulos


Catalysis

THURSDAY AFTERNOON

General Oral Papers VII

Section Β

•

10:50—361. Glycopeptide analgesics: Glycopeptides, glyco-lipopeptides, and α-hel ical glycopeptides produce analgesia sim ilar to morphine. M. M. Palian, S. A. Mitch ell, E. J. Bilsky, N. O. Elmagbari, R. D. Egleton, P. Davis, H. I. Yamamura, V. J. Hruby, R. Polt 11:30—362. Understanding and predicting solute permeability through biological membranes. P. S. Burton 12:00—363. Predictive ADME from MAF technology. K. L. Morse, J. A. Ruell

D. E. Bergstrom, C. Pidgeon, Organizers, Presiding 9:30—359. Formation and function of pro tein-induced membrane domains. M. Glaser 10:10—360. Novel techniques for studying the distribution and activity of targets in, on, and between cells. J. W. Paslay

NUCL DIVISION OF NUCLEAR CHEMISTRY & TECHNOLOGY G. J. Wozniak, Program Chair

Section Β Westgate Riviera • Radiation, Health, and Safety: Myth and Reality Radiation Risk and Health Hazards

G. J. Wozniak, G. Zeman, Organizers G. Zeman, Presiding 8:30—Introductory Remarks. 8:35—5. Risk perception by the public. A. S. Bisconti 9:05—6. Cancer fear following the Chernobyl accident. E. Petridou 9:35—7. Mediation of high dose from radia tion accidents. R. Ricks 10:05—Intermission. 10:35—8. Linear non-threshold dose effect model and radiation standards: A regulato ry viewpoint. H. T. Peterson 11:05—9. Myths and realities about nuclear energy and radiation. R. Andersen 11:35—10. Social context for communication about radiation risk. J. H. Flynn

Section C Westgate Ambassador Nuclear Chemistry: The First Hundred Years—Science, People, and Politics Cosponsored with Division of the History of Chemistry

C. A. Laue, Organizer, Presiding 8:30—11. Nuclear chemistry, a brief over view: Initiations and today's challenges. C. A. Laue 8:50—12. Teaching nuclear/radiochemistry: Then and now. G. R. Choppin 9:20—13. Nuclear chemistry: The effects of politics. E. S. Pierce 10:00—Intermission. 10:15—14. Historical development of radio chemical methods. J. S. Morton, D. S. Sill 10:40—15. Dose rates at German nuclear plants. R. Riess 11:05—16. Women of the Manhattan Proj ect. C. L. Herzenberg, R. H. Howes 11:45—Panel Discussion.

SUNDAY AFTERNOON Section A Westgate Versailles

SOCIAL EVENT: Social Hour, Mon

Rare Isotope Research: Past, Present, and Future In Recognition of Richard A. Meyer for His Many Contributions to the Field of Nuclear Chemistry


SUNDAY MORNING Section A Westgate Versailles Rare Isotope Research: Past, Present, and Future In Honor of William B. Walters

D. Brenner, Organizer A. Mignerey, Presiding 8:45—Introductory Remarks. 9:00—1. Low-energy structure of neutronrich nuclides studied via β-decay. P. F. Mantica, J. I. Prisciandaro 9:30—2. New advances and future prospects at the proton drip line. P. J. Woods 10:00—3. Rare isotopes in the 132Sn region and the r-process matter flow in the A s 130 region. K-L Kratz, B. Pfeiffer, M. Hannawald, T. Kautzsch 10:30—Intermission. 11:00—4. Award Address (ACS Award for Nuclear Chemistry, sponsored by Gordon and Breach Publishing Group). Radioac tivity at the drip lines: New wine for new wineskins. W. B. Walters

D. Brenner, Presiding 1:30—Introductory Remarks. 2:00—17. Scientific opportunities in nuclear science. D. Kovar 2:30—18. RNB: A way to study the many facets of atomic nuclei. K. Heyde 3:00—19. Evidence for a new class of sym metry in nuclei. R. F. Casten 3:30—Intermission. 3:50—20. Nuclear data program in support of rare isotope research. C. L. Dunford 4:20—21. Rare isotope researchers: The next generation. T. G. Squires, R. P. Yaffe, R. A. Meyer 4:40—22. Food irradiation and the military. J. E. Rosado



Section B

MONDAY MORNING

Westgate Riviera

Section A

• Radiation, Health, and Safety: Myth and Reality Health Effects of Low-Dose Radiation

K. L. Mossman, Presiding 2:00—23. Variation of natural radiation worldwide and compilation of associated human studies. T. F. Gesell 2:30—24. Exposure to residential radon. J. Lubin 3:00—26. Using science to apply low-dose radiation to medical/health benefits. J. Muckerheide 3:30—Intermission. 3:50—27. Cancer studies in radiation worker populations. E. Gilbert 4:20—28. Chernobyl: After 15 years, what have we learned? G. R. Howe 4:50—25. "Adaptive response" to ionizing radiation: Is it real, and what might it mean for human health? J. D. Tucker

Westgate Versailles Rare Isotope Research: Past, Present, and Future Theory

Section D

K. Heyde, Presiding

Westgate Ambassador

8:00—41. Nuclear structure in the super heavy region. W. Greiner 8:30—42. Shape coexistence in platinum and lead nuclei. P. Van Isacker 9:00—43. Shell structure of exotic nuclei and Monte Carlo shell model. T. Otsuka 9:30—44. Structure of exotic nuclei from ran dom interactions. D. Kusnezov 10:00—Intermission. 10:20—45. Quest for a unified, consistent picture of nuclear-structure properties far from stability. P. Môller 10:50—46. Nonrelativistic mean field models of nuclear structure: Influence of the range of the effective interaction. J. R. Stone 11:20—47. Interacting boson fermionfermion model approach to odd-odd nuclei. S. Brant, V. Paar

Critical Issues/Questions in Nuclear Dynamics Dynamics of Fusion

Westgate Riviera

Section C

Section Β

• Radiation, Health, and Safety: Myth and Reality Radiation Effects at the Cellular Level

W. Loveland, S. J. Yennello, Organizers W. Loveland, Presiding

E. A. Blakely, Presiding

2:00—Introductory Remarks. 2:10—29. Fusion: Old puzzles and new probes. R. Vandenbosch 3:00—30. Heavy-ion fusion and fission: Determined dominantly by dynamics? D. J. Hinde, A. C. Berriman, R. D. Butt, M. Dasgupta, C. R. Morton, A. Mukherjee, J. O. Newton 3:35—Intermission. 3:50—31. Transfer/breakup modes and fusion in the 6He + 209 Bi reaction near the Coulomb barrier. J. J. Kolata 4:25—32. Synthesis of superheavy elements. R. Smolanczuk

8:30—48. Mechanism of radiation damage at the molecular and cellular level by ionizing radiation. A. Chatterjee, W. R. Holley 9:00—49. Paradigm shifts in mechanism of radiation-induced damage. A. L. Brooks 9:3fJ—50. Mitigation of DNA damage from ionizing radiation by multiple DNA repair pathways. L. H. Thompson 10:00—Intermission. 10:30—51. Ionizing radiation damage is dif ferent from oxidative damage. J. F. Ward 11:00—52. Genetic susceptibility to radi ation-induced cancer and its potential im pact on radiation risk. R. Ullrich 11:30—53. Micronutrient deficiencies as ra diation mimics. A. C. Huang, Β. Ν. Ames

Section D Westgate Embassy Nuclear Chemistry: The First Hundred Years—Science, People, and Politics Extremes: Testing to New Elements Around the World Cosponsored with Division of the History of Chemistry

K. Grégorien, R. W. Lougheed, Presiding 1:30—33. Trinity: Yield determined by chemical techniques. J. A. Miskel 1:50—34. A nuclear chemist's recollections of the Manhattan Project. G. Friedlander 2:10—35. Basic research in the testing program radiochemistry. D. W. Barr 2:35—36. Heavy element research and nuclear testing: An abbreviated history. R. W. Lougheed 3:00—Intermission. 3:15—37. Development of transuranium element research in the United States. D. C. Hoffman, D. M. Lee 3:40—38. Norway: Pioneers in nuclear chemistry and how nuclear power drowned in oil. J. P. Omtvedt 4:00—39. From "SHE" to "SHE" at GSI. M. Schàdel 4:25—40. Development of techniques for studies of the heaviest elements. Κ. Ε. Gregorich 4:50—Panel Discussion.


10:45—60. Model systems for the study of the chemical behavior of element 104 us ing solvent extraction and extraction chro matography. R. Sudowe, C. M. Folden III, T. Ginter, K. E. Gregorich, U. W. Kirbach, D. M. Lee, H. Nitsche, J. P. Omtvedt, L. A. Omtvedt, J. B. Patin, L. Stavsetra, P. A. Wilk, P. M. Zielinski, D. C. Hoffman 11:05—Panel Discussion.

Section C Westgate Ambassador Critical Issues/Questions in Nuclear Dynamics Heavy Elements

D. C. Hoffman, Presiding 8:00—54. Synthesis of superheavy elements at the GSI SHIP. S. Hofmann 8:35—55. Synthesis of superheavy nuclei in the reactions of 48 Ca with 244 Pu and 248 Cm. Y. T. Oganessian, V. K. Utyonkov, Y. V. Lobanov, F. S. Abdullin, A. N. Polyakov, I. V. Shirokovsky, Y. S. Tsyganov, G. G. Gulbekian, S. L. Bogomolov, B. N. Gikal, A. N. Mezentsev, S. Iliev, V. G. Subbotin, A. M. Sukhov, O. V. Ivanov, G. V. Buklanov, K. Subotic, M. G. Itkis, K. J. Moody, J. F. Wild, N. J. Stoyer, M. A. Stoyer, R. W. Lougheed, C. A. Laue, Y. A. Karelin, A. N. Tatarinov 9:10—56. Formation of superheavy elements in nuclear reactions. V. Y. Denisov 9:30—57. Study of the reaction mechanisms for the production of actinides using the Berkeley gas-filled separator. J. B. Patin, Κ. Ε. Gregorich, V. Ninov, C. M. Folden III, T. N. Ginter, U. W. Kirbach, D. M. Lee, N. K. Seward, R. Sudowe, P. A. Wilk, P. M. Zielinski, D. C. Hoffman 9:50—Intermission. 10:05—58. Survival of hot heavy nuclei. K. Aleklett 10:25—59. Heavy-element chemistry studies at the Berkeley gas-filled separator. U. W. Kirbach, H. Nitsche, C. M. Folden III, T. N. Ginter, K. E. Gregorich, D. C. Hoffman, D. M. Lee, V. Ninov, J. P. Omtvedt, J. B. Patin, N. K. Seward, D. A. Strellis, R. Sudowe, P. A. Wilk, P. M. Zielinski

Westgate Embassy Nuclear Chemistry: The First Hundred Years—Science, People, and Politics A Glimpse at the Diversity of Developments and Achievements Cosponsored with Division of the History of Chemistry

W. Runde, M. P. Neu, Presiding 8:30—61. Radioanalytical separations and the discovery of the transplutonium actin ides. K. L. Nash 8:55—62. Inorganic chemistry of plutonium: From initial discoveries to recent coordina tion compounds. M. P. Neu, J. H. Matonic, B. L. Scott 9:15—63. Extraction chromatography: His torical development, current status, and future directions. M. L. Dietz 9:35—64. History, status, and future per spectives of the Yucca Mountain Project. C. E. A. Palmer 9:55—Intermission. 10:10—65. History of nuclear waste disposal and the primary characteristics of U.S. and German geologic nuclear waste reposito ries. W. Runde 10:30—66. Radiological conditions, dose es timates, and remedial measures for atolls in the northern Marshall Islands. C. L. Conrado, W. L. Robison, M. L. Stuart 10:50—67. Medical applications of radionu clides: A historical perspective. S. S. Jurisson 11:20—68. History of radioanalytical chemis try. J. D. Robertson 11:40—Panel Discussion.

MONDAY AFTERNOON Section A Westgate Versailles Rare Isotope Research: Past, Present, and Future Facilities

M. Kreisler, Presiding 1:30—69. Holifield radioactive ion beam fa cility. F. E. Bertrand 2:00—70. Munich accelerator for fission frag ments. D. Habs, O. Engels, M. Gross, Ο. Kester, P. Reiter, P. Thirolf, T. Faestermann, T. von Egidy 2:30—71. Selective laser ionization for the production of exotic nuclei. M. Huyse 3:00—Intermission. 3:20—72. Studies of neutron-rich nuclei at ISOL facilities. J. H. Aysto 3:50—73. Studies with rare radioisotopes: Gas jets to a DRAGON at ISAC. J. M. D'Auria 4:2fJ—74. Perspective on fast chemistry. E. A. Henry 5:00—Division Business Meeting.

Section Β Westgate Riviera • Radiation, Health, and Safety: Myth and Reality Balancing the Risk and Benefits of Nuclear Technology

A. Brooks, Presiding 1:30—75. Science-based regulation of ioniz ing radiation: Position statements by the Health Physics Society. G. Anastas 2:00—76. Politics of radioactive waste dis posal. A. Pasternak 2:30—77. Risks and benefits of medical radi ation. K. L. Mossman 3:00—Intermission. 3:20—78. But it's less than background! Clo sure of the high-flux beam reactor. K. White 3:50—79. Is research with radioactivity pos sible in California? P. G. Williams 4:20—80. Nuclear waste transportation and public involvement. C. J. Hsu, N. Meenaghan, B. Kucner, A. Patel, J. Starr, M. Sheer, R. Michaud, S. Hewitt, S. Murphy, P. Schwartz, S. Reed, M. Loh, D. Rubin, C. Hein, C. Consiglio, A. Mignerey, S. Tumey

Section C Westgate Ambassador Critical Issues/Questions in Nuclear Dynamics Reaction Mechanisms V. E. Viola,

Presiding

1:30—81. Nuclear collisions at Fermi ener gies: Insights and prospects. W. U. Schro der 2:20—82. Energy dissipation in heavy-ion re actions. Β. Β. Back 2:55—83. Shape fluctuations and compound nucleus decay. R. J. Charity 3:30—Intermission. 3:45—84. Reaction dynamical studies with giant resonances. M. Thoennessen 4:20—85. Thermophysics of nuclei as mesoscopic clusters and of nuclear clusteriza tion. L. G. Moretto


G. J. Wozniak, Presiding 8:00-10:00 133. 13C and 1 7 0 NMR investigation of uranyl complexation with carboxylate ligands. A. Y. Garnov, L. Rao, K. L. Nash, A. V. Guelis, M. P. Jensen, J. C. Sullivan

TUESDAY MORNING Section A Westgate Riviera Rare Isotope Research: Past, Present, and Future Data

C. L. Dunford, Presiding 8:00—86. Decay-data metrology: Needs and future trends. A. L. Nichols 8:30—87. How RIA measurements can ad vance RandD for technology applications. M. B. Chadwick 9:00—88. Nuclear structure and decay data network. D. J. A. De Frenne


C & E N / M A R C H 5, 2 0 0 1

U3

NUCL/TECHNICAL PROGRAM

9:30—89. Application of XML technologies to nuclear data. C. A. Stone, L. M. Langlands, Ε. Ε. Miyake 10:00—Intermission. 10:20—90. 66 Ga and 229 Th: Two puzzles in nuclear data. Ε. Β. Norman 10:50—91. Importance of diverse data types for reliable nuclear structure interpreta tions. D. G. Burke 11:20—92. New generation of neutron cap ture ^ray data. G. L. Molnar, Z. Revay, T. Belgya, R. B. Firestone

Section Β Westgate Versailles • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation Migration/Transport and Modeling Cosponsored with Division of Environmental Chemistry

H. Nitsche, M. Heitkamp, Organizers, Presiding 9:00—Introductory Remarks. 9:05—93. Transport modeling for nuclear waste disposal studies: Status and needs. J. Hadermann 9:35—94. Aquatic colloids of actinides: How are they generated, and do they migrate? J-l. Kim 10:05—Intermission. 10:25—95. Colloid hydrogeochemistry and colloid transport related to nuclear waste disposal. C. A. Degueldre 10:55—96. Important actinide reactions in the environment. G. R. Choppin 11:25—97. Metal-surface interaction model ing related to nuclear waste disposal and environmental transport. J. A. Davis, G. P. Curtis, M. Kohler, D. E. Meece

Section C Westgate Embassy Critical Issues/Questions in Nuclear Dynamics Fragmentation

P. P. Chomaz, Presiding 8:30—98. Explosive nucleosynthesis studied with radioactive beams: Present status and future plans. Κ. Ε. Rehm 9:05—99. Projectile fragmentation reactions: A route to exotic nuclei. D. J. Morrissey 9:55—100. Isospin effects in the formation of heavy fragments at relativistic energies. K. D. Suemmerer 10:30—101. Nuclear fragmentation reactions and their role in space radiation research. L. W. Townsend 11:05—Intermission. 11:20—Panel Discussion.

TUESDAY AFTERNOON Section A Westgate Riviera Rare Isotope Research: Past, Present, and Future Astrophysics

K-L. Kratz, Presiding 1:30—102. GALLEX and LENS: Past and fu ture measurements of the lowest-energy solar neutrinos. R. L. Hahn 2:00—103. Solar neutrino measurements at the Sudbury Neutrino Observatory. E. W. Beier 2:30—104. Nuclear astrophysics with real and virtual photons. M. Gai 3:00—Intermission. 3:20—105. Probing stellar explosions with radioactive beams at ORNL. M. S. Smith 3:50—106. Masses of the N=Z rp-process waiting point nuclei. A. Aprahamian 4:20—107. Decay properties of new neutrondeficient Am and Cm isotopes. H. Nakahara, M. Asai, Y. Nagame, M. Sakama, S. Ichikawa, K. Tsukada 108. Withdrawn.

Section Β Westgate Versailles • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation Waste Forms and Fuel Storage Cosponsored with Division of Environmental Chemistry

J-l. Kim, G. R. Choppin, Presiding 2:00—109. Nuclear waste forms for the fu ture. R. C. Ewing, L. Wang 2:30—110. New developments in glass im mobilization technology for nuclear waste. S. Weisenburger 3:00—111. Overview and status of (chemi cal) research for the Yucca Mountain Project. C. E. A. Palmer 3:30—Intermission. 3:50—112. Evolution of spent fuel in storage or geological disposal conditions: The French PRECCI R&D program. P. Toulhoat, C. Poinssot, J-M. Gras 4:20—113. Speciation of actinides and lanthanides in waste form glasses: Implica tions for vitrification and long-term stability. D. K. Shuh, D. L. Caulder, C. H. Booth, J. J. Bûcher, P. G. Allen, N. M. Edelstein, W. W. Lukens, H. Nitsche, L. Rao, J. G. Darab, L. L. Davis, L. Li, H. Li, J. D. Vienna, D. M. Strachan, J. Icenhower, B. P. McGrail, M. Karabulut, G. K. Marasinghe, C. S. Ray, D. E. Day

Section C Westgate Embassy

•


•


Presiding

1:30—114. Critical issues/questions in nuclear multifragmentation. P. P. Chomaz 2:20—115. Nuclear caloric curve: What do we know? J. B. Natowitz 2:55—116. Freeze-out in gold on gold. W. Trautmann 3:30—Intermission. 3:45—117. Isospin effects in multifragmentation. B-A. Li

A Catalysis

Ν Materials

WEDNESDAY MORNING Section A Westgate Versailles Rare Isotope Research: Past, Present, and Future

J. A. Becker, Presiding 8:00—120. BRAMA and cross-section measurements with the Rare Isotope Accelerator. M. A. Stoyer 8:30—121. Transfer-reaction studies with exotic beams. W. Gelletly 9:00—122. Transfer and pick-up reactions on a radioactive 148Gd target. T. N. Massey, L. G. Mann, R. R. Lanier, G. Struble, P. Kleinheinz, B. Rubio 9:30—123. Interface between resolved and unresolved levels: Prospects for determining level densities in radioactive nuclei. R. C. Haight 10:00—Intermission. 10:20—124. Angular properties of proton and neutron emission from exotic nuclei. N. J. Stone 10:50—125. Twenty-five years of low-energy nuclear physics research at the Colorado School of Mines. F. E. Cecil, J. A. McNeil, C. S. Galovich, U. Greife, M. A. Hofstee, J. Yan, S. H. Liu, A. K. Pallone 11:20—126. Investigation of the formation of residual nuclei from the radioactive 237 Np and 241 Am targets in the reaction with 660 MeV protons. J. Adam, A. Balabekyan, R. Brandt, V. P. Dzhelepov, S. A. Gustov, V. G. Kalinnikov, M. I. Krivopustov, I. V. Mirokhin, R. Odoj, V. S. Pronskikh, O. V. Savchenko, A. A. Solnyshkin, A. N. Sosnin, V. I. Stegailov, V. M. TsoupkoSitnikov

Section Β Westgate Riviera • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation Waste Forms and Fuel Storage Cosponsored with Division of Environmental Chemistry

D. K. Shuh, R. C. Ewing, Presiding

Critical Issues/Questions in Nuclear Dynamics Multifragmentation D. J . Morrissey,

4:15—118. Imaging two particle-emitting sources in heavy-ion collisions at intermediate energies. G. Verde, D. A. Brown, P. Danielewicz, C. K. Gelbke, T. X. Liu, X. D. Liu, W. G. Lynch, W. P. Tan, M. B. Tsang, H. S. Xu, H. F. Xi, B. Davin, R. T. de Souza, Y. Larochelle, R. J. Charity, L. G. Sobotka 4:40—119. Production and de-excitation of hot nuclei: From peripheral to central collisions. M. Veselsky, G. Souliotis, A. Keksis, S. Liddick, E. A. Martin, A. Ruangma, E. Winchester, S. J. Yennello

8:30—127. From decontamination to final waste form via a single material. J. V. Beitz, C. W. Williams 9:00—128. Evaluation of a new glass chem istry and melter design to vitrify high-level waste. D. Gombert II, A. S. Aloy, D. E. Day 9:30—129. Qualification testing of glassbonded sodalite: A ceramic waste form for disposition of sodium-bonded spent reac tor fuel. L. R. Morss, M. A. Lewis, W. L. Ebert, C. J. Mertz 10:00—Intermission. 10:20—130. Low-temperature preparation of actinide boride materials via solid-state metathesis reactions. A. J. Lupinetti, J. Fife, K. D. Abney, E. Garcia 10:50—131. Characterization and dissolution of highly radioactive INEEL calcines. D. R. Peterman, T. A. Batcheller, T. G. Garn

11:20—132. Tritiated water on a molecular sieve without hydrogen production. R. T. Walters

Section C Westgate Embassy Critical Issues/Questions In Nuclear Dynamics Multifragmentation

L. G. Moretto, Presiding 8:30—134. Soft explosions of hot nuclei. V. E. Viola 9:05—135. Exploring the isospin depen dence of the EOS in heavy-ion reactions. B. Tsang 9:40—Intermission. 9:55—136. Dynamical decay of extended nu clear geometries and fissionlike behavior for light nuclei. R. de Souza 10:25—137. Coalescence and chemical equilibrium in multifragmentation at inter mediate energies. T. Keutgen, R. Wada, K. Hagel, M. Murray, J. B. Natowitz, J. Cibor, L. Qin, C. Hamilton, A. Makeev, E. Martin, S. Liddick, D. Rowland, A. Ruang ma, M. Veselsky, E. Winchester, G. Souli otis, S. Yennello, A. Samant, M. Sinausero, D. Fabris, E. Fioretto, M. Lunardon, G. Nebbia, G. Prête, G. Viesti, Ζ. Majka, P. Staszel, S. Kowalski, W. Zipper, M. E. Brandan, A. Martinez, A. MenchacaRocha, Y. El Masri 10:50—Panel Discussion. 12:00—Concluding Remarks.

WEDNESDAY AFTERNOON Section A Westgate Versailles Rare Isotope Research: Past, Present, and Future Structure

W. B. Walters, Presiding 1:30—138. Proton radioactivity: New theoret ical results. C. N. Davids, H. Esbensen 2:00—139. Study of proton emission from 146 Tm. T. N. Ginter, J. C. Batchelder, C. R. Bingham, C. J. Gross, R. Grzywacz, J. H. Hamilton, Z. Janas, M. Karny, A. Pie* chaczek, A. V. Ramayya, K. Rykaczewskï, W. B. Walters, E. F. Zganjar 2:30—140. Studies of excited states in proton emitters. D. Seweryniak 3:00—Intermission. 3:20—141. Investigating nuclear structure far from stability using radioactive decay. J. L. Wood 3:50—142. Coulomb energy differences as a probe of nuclear correlations. D. D. Warner 4:20—143. Exotic decays and fundamental properties along the N=Z line: 74 Rb, 80Zr, '°Br. E. F. Zganjar, A. Piechaczek

Section Β Westgate Riviera • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation Decontamination, Extraction, and Treatment Cosponsored with Division of Environmental Chemistry

S. B. Clark, K. L. Nash, Presiding 1:30—144. Selection of soil-remediation strategies based on contaminant solidphase characterization. D. I. Kaplan, S. M. Serkiz 2:00—145. Decontamination of solids using thermally unstable complexants. M. P. Jensen

yf Medicinal & Pharmaceutical •


^

Presidential Series

U4

C&EN / MARCH


5, 2 0 0 1


2:30—146. Partitioning of actinides to soils and sediments from Department of Energy sites. H. Kurosaki, S. M. Loyland, S. Lamont, K. Haney, S. Herbison, R. Filby, S. B. Clark 2:50—147. Caustic-side solvent extraction: Efficient process for selective extraction of cesium from Savannah River site highlevel waste. L. H. Delmau, P. V. Bonnesen, T. J. Haverlock, T. G. Levitskaia, F. V. Sloop Jr., R. A. Leonard, B. A. Moyer 3:15—148. XAFS studies with Pd in HLW simulants after reaction with tetraphenylborate. M. C. Duff, D. B. Hunter, M. J. Barnes, S. D. Fink, J. P. Bradley, R. A. Peterson 3:40—Intermission. 4:00—149. Molecular studies of interfacial plutonium-minerai interactions on manga nese oxide hydroxide mineral surfaces. D. A. Shaughnessy, H. Nitsche, R. J. Seme, D. K. Shuh, G. A. Waychunas, C. H. Booth, H. S. Gill 4:30—150. Application of fluorinated alco hols in metal-ion solvent extraction pro cesses for nuclear waste disposal and en vironmental remediation. P. V. Bonnesen, L. H. Delmau, N. L. Engle, T. J. Haverlock, T. G. Levitskaia, B. A. Moyer 151. Withdrawn. 4:55—152. Removing chromium from highlevel radioactive waste streams: Speciation and reactivity of Cr(lll) oligomers un der highly alkaline conditions. J. Friese, B. Ritherdon, S. B. Clark, L. Rao, Z. Zhang

Section C Westgate Embassy Recent Advances in Radiopharmaceuticals: A Symposium in Memory of G. Subramanian

H. F. Van Brocklin, S. Srivastava, Organizers S. Srivastava, Presiding 1:30—Introductory Remarks. 1:40—153. Recent advances in immunology are influencing nuclear medicine. J. G. McAfee 2:15—154. Radiolabeled drugs for noninva sive drug monitoring. W. Wolf, T. K. Kawada, D. Anand, J. A. Dowell, D. Palekar, A. R. Sancho, R. Parti 2:35—155. Targeted radioimmunotherapy of prostate cancer using antibodies specific to the extracellular domain of PSMA. S. Vallabhajosula, P. M. Smith-Jones, Ν. Η. Bander, S. J. Goldsmith 2:55—156. Radiolabeled porphyrins for med ical imaging. P. Kulkarni, D. Jain, J. Narula 3:15—Intermission. 3:35—157. A-ring-fluorinated 16a-[18F]fluoroestradiol derivatives: Synthesis and receptor-mediated target tissue uptake. Y. Seimbille, H. Ali, J. Rousseau, F. Bénard, J. E. van Lier 3:55—160. Synthesis of /v-succinimidyl 4-radioiodobenzoate-labeled α-MSH ana logs with improved melanoma cellular re tention. Z. Cheng, J. Chen, T. P. Quinn, S. S. Jurisson 4:15—159. Evaluation of molecular probes for imaging tumors. M. L. Thakur, C. S. Marcus, S. Saeed, V. Pallela, S. P. Rao, S. Rattan, E. Sauter, C. Minami, L. Diggles, H. L. Pham, R. Ahdoot, E. A. Kalinowski 4:35 —158. Design, synthesis, and in vitro evaluation of a novel metallopeptide for melanoma targeting. Z. Cheng, J. Chen, T. P. Quinn, S. S. Jurisson 4:55—161. Novel cancer probes: Develop ment of receptor tyrosine kinase-based imaging agents. H. F. Van Brocklin, M. Y. Ono, D. L. Horn, S. E. Taylor, S. M. Hanrahan, D. J. Riese III

THURSDAY MORNING Section A Westgate Saville Rare Isotope Research: Past, Present, and Future Structure and Applications P. F. Mantica,

Presiding

8:00—162. Decay of 152 Tb and E0 and M1+E0 transitions in 152 Gd. J. Adam, J. Dobes, M. Honusek, V. G. Kalinnikov, V. S. Pronskikh, J. Mrazek, P. Chaloun, N. A. Lebedev, V. I. Stegailov, V. M. TsoupkoSitnikov 8:30—163. Vibrational and intruder struc tures in the cadmium nuclei. S. W. Yates, P. E. Garrett, N. Warr, M. Kadi 9:00—164. Study of low-lying levels of 128Ba by γ^γ correlations and polarization mea surements. A. Wolf, Z. Berant, D. S. Bren ner, R. L. Gill, N. V. Zamfir, N. Pietralla, M. A. Caprio, R. F. Casten, C. W. Beausang, R. Kruecken, K. E. Zyromski, C. J. Barton, J. R. Cooper, A. A. Hecht, H. Newmann, J. R. Novak 9:30—165. Fast and continuous liquid-liquid extraction in transactinide research with the SISAK system. J. P. Omtvedt, J. Alstad, J. E. Dyve, K. Eberhardt, C. M. Folden III, D. C. Hoffman, T. Ginter, K. Gregorich, M. Johansson, U. Kirbach, D. Lee, M. Mendel, A. Nàhler, V. Ninov, H. Nitsche, L. A. Omtvedt, J. Patin, N. Seward, G. Skarnemark, L. Stavsetra, R. Sudowe, N. Trautmann, P. Wilk, P. Zielinski 10:00—Intermission. 10:20—166. Development of a beam facility for thermal neutron capture prompt γ-ray activation analysis. D. L. Anderson, R. M. Lindstrom 10:50—167. Use of bomb-pulse carbon-14 to age senile plaques and neurofibrillary tan gles in the Alzheimer's disease brain. J. D. Robertson, M. A. Lovell, B. Buchholz 11:20—168. Stepping back in time: Neutron activation analysis of Finnish filters collect ed between 1964 and 1978. P. K. Hopke, S. Landsberger, Y. Viisanen, J. Paatero, T. Yli-Tuomi, M. Basunia

Section Β Westgate Envoy • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation Thermodynamics Cosponsored with Division of Environmental Chemistry

D. I. Kaplan, D. B. Hunter, Presiding 8:00—169. Stability and alteration of U(VI) oxide hydrates in the U(VI)-OH-Si02 sys tem. S. B. Clark, B. Ritherdon, M. Doug las, R. C. Ewing, F. Chen 8:3rj—170. Trace metal incorporation in uranium(VI) silicate solids. M. Douglas, B. Ritherdon, J. Hache, Β. Herbison, S. B. Clark, R. C. Ewing 8:50—171. Effect of temperature on the sta bility constants for uranyl and neptunyl ac etate complexes. A. P. Maddison, S. B. Clark

9:10—172. Neptunium speciation in strongly alkaline solutions. A. V. Gelis, P. Vanysek, M. P. Jensen, K. L. Nash 9:40—Intermission. 10:00—173. Comparison of the newest re agents for hydrometallurgical processing of actinides. K. L. Nash 10:30—174. Actinide sequestering agents: Design, structural, and biological evalua tions. J. Xu, P. W. Durbin, K. N. Raymond 11:00—175. Chemical catalysis in nuclear environments. R. M. Chamberlin, E. Bau er, D. E. Berning, J. G. Bernard, B. P. Warner, A. N. Morgan, A. R. Schake, J. B. Arterburn 11:30—176. Ultratrace and isotopic analysis of long-lived radionuclides and depleted uranium by direct liquid introduction/ inductively coupled plasma mass spec trometry. A. Montaser, J. A. McLean, J. S. Becker, H-J. Dietze, C. S. Westphal, S. J. Hodge Section C Westgate Normandy Recent Advances in Radiopharmaceuticals: A Symposium in Memory of G. Subramanian

H. F. Van Brocklin, Presiding 8:30—Introductory Remarks. 8:35—177. Charles D. Coryell Award Pre sentation. Rapid production of iodinelabeled radiopharmaceuticals. P. N. Dorff, S. M. Hanrahan, D. H. Hunter, H. F. Van Brocklin 8:55—178. Clinical radionuclide bone imag ing with technetium-99m. G. T. Krishnamurthy, S. Krishnamurthy 9:15—179. Evaluation of radiopharmaceuti cals in animal models utilizing MICROPET. M. J. Welch, R. LaForest, D. J. Row land, D. W. McCarthy, T. Sharp, S. Moerlein, J. Y. Kim 9:35—180. Development of electron-emitting radioisotopes for therapeutic oncology. L. F. Mausner, K. L. Kolsky, S. C. Srivastava 9:55—181. Production and applications of bromine-76, bromine-77, and iodine-124. T. J. McCarthy, D. J. Rowland, R. LaFor est, B. J. Hughey, N. Oyama, P. Uetrecht, M. J. Welch 10:15—Intermission. 10:35—182. Novel amyloid probe in aging and Alzheimer's disease. Y. Wang, W. E. Klunk, G-F. Huang, M. L. Debnath, D. P. Holt, C. A. Mathis 10:55—183. Radiosynthesis, in vitro/in vivo pharmacologic characterization, and initial human SPECT imaging studies with [123l]5-iodo-A-85380: A high-affinity nico tinic acetylcholine receptor (nAChR) radioprobe. J. L. Musachio, J. R. Brasic, U. A. Scheffel, P. A. Rauseo, H. Fan, M. Os man, Κ. J. Kellar, Y. Xiao, J. Hilton, Y. Zhou, D. F. Wong 11:15—184. Tin-117m stannic chelates for treatment of cancer in bone. S. C. Srivas tava, G. E. Meinken, L. F. Mausner 11:35—185. Receptor-binding radiopharma ceutical for sentinel node imaging. D. R. Vera, A. M. Wallace, C. K. Hoh 11:55—186. Altered biodistribution in mice of radiopharmaceuticals used for renal eval uation, due to treatment with mitomycin C. M. L. Gomez, D. M. M. de Mattos, R. de Souza Freitas, R. J. A. C. Bezerra, M. Bernardo-Filho

Section A Westgate Saville Rare Isotope Research: Past, Present, and Future Structure R. A. Meyer,

Presiding

1:30—187. Structure of high-Z nuclei from studies with Gammasphere at ATLAS. R. V. F. Janssens 2:00—188. Fission-fragment Gammasphere work near N=85. J. O. Rasmussen, R. Donangelo, Y-X. Luo 2:30—189. Levels in the N=153 nucleus 251 Cf. I. Ahmad 3:00—Intermission. 3:20—190. Two- and three-valence-particle nuclei 1 3 4 Sb and 1 3 5 Sb. P. Bhattacharyya, P. J. Daly, C. T. Zhang, Z. W. Grabowski, B. Fornal, R. Broda, D. Seweryniak, I. Ahmad, I. Wiedenhover, M. P. Carpenter, R. V. F. Janssens, T. L. Khoo, T. Lauritsen, C. J. Lister, P. Reiter, J. Blomqvist 3:50—191. Shell model residual interaction around 208 Pb: Experimental data and their interpretation. Κ. Η. Maier 4:20—192. Single-particle structure of light Sn nuclei. J. J. Ressler, W. B. Walters, D. Seweryniak, J. Shergur, A. Heinz 4:40—193. Using laser ionization to selec tively study heavy Sn nuclei. J. Shergur, The ISOLDE Collaboration

Section Β Westgate Envoy • New Science and Technology for Nuclear Waste Disposal and Environmental Remediation Microbial Interactions Cosponsored with Division of Environmental Chemistry

M. P. Neu, M. P. Jensen, Presiding 1:30—194. Interactions of actinides with bac teria in nuclear waste repositories. A. J. Francis, J. B. Gillow, C. J. Dodge 2:00—195. Metabolic engineering for precip itation of heavy metals and actinides. J. D. Keasling 2:30—196. Interaction of aerobic soil bacte ria with hexavalent actinides, Pu(VI) and U(VI). P. J. Panak, R. Knopp, C. H. Booth, H. Nitsche 3:00—Intermission. 3:20—197. Influence of synthetic chelates on metal-microbe interactions. H. Bolton Jr., L. Xun, D. Rai 3:50—198. Influence of microbial uptake and bioabsorption on the environmental speci ation and mobility of plutonium and urani um. M. P. Neu, C. E. Ruggiero, S. G. John, J. H. Forsythe, L. E. Hersman, M. T. Johnson 4:20—199. Laser-based methods for the in vestigation of actinide interactions with colloids and bacteria in aqueous environ ments. R. Knopp, P. Panak, H. Nitsche

Section C Westgate Normandy Additional Aspects of Nuclear Science

G. J. Wozniak, Organizer



THURSDAY AFTERNOON

2:00—200. Separation of a- and β-radioactivity in gas proportional counters. T. M. Semkow, P. P. Parekh 2:20—201. Advances in the fabrication of Zr matrix fuels containing Am, Pu, and Np. J. R. Kennedy, M. K. Meyer, S. L. Hayes, D. C. Crawford 2:40—202. Determination of Kd values in the base-side processing of " M o separation from LEU irradiation targets. J. H. Meiser, G. F. Vandegrift, H. Cols, C. Conner, S. Aase 3:00—203. Radiation experiments for sec ondary students on the Internet. D. R. Porterfield 3:20—Discussion.

C & E N / M A R C H 5, 2 0 0 1

U5

ORGN/TECHNICAL PROGRAM

11:20—15. Transition states for prolinecatalyzed asymmetric aldol reactions. S. Bahmanyar, Κ. Ν. Houk 11:40—16. Asymmetric synthesis of α,βdisubstituted-a-amino acids via direct alkylation of chiral amino acid derivatives with racemic sec-alkyl bromides. X. Tang, V. A. Soloshonok, V. J. Hruby

ORGN

Section C

DIVISION OF ORGANIC CHEMISTRY


L. McElwee-White, Program Chair

Cycloadditions, Retrocycloadditions, and Rearrangements

M. C. Mcintosh, Presiding

SUNDAY MORNING Section A Convention Center Room 6B-C James Flack Norris Award in Physical Organic Chemistry

D. P. Curran, Organizer, Presiding 9:00—1. Phototriggers: Reaction mecha nisms and applications. J. Wirz 9:40—2. New heterocyclic radicals for appli cations in molecular materials. P. Kaszynski 10:20—3. Secrets of gas-phase ion chemis try revealed! C. H. DePuy 11:00—4. Award Address (James Flack Norris Award in Physical Organic Chemis try, sponsored by the ACS Northeastern Section). Carboranes: Useful tools in physical organic chemistry. J. Michl

Section Β Convention Center Room 6F Asymmetric Reactions and Syntheses

X. Zhang, Presiding 8:00—5. Methyl ketene as a useful synthon for the efficient asymmetric total syntheses of siphonarienes. M. Calter, W. Liao 8:20—6. Enantioselective hydrogen atom transfer reactions: Synthesis of α-amino acids. M. Sibi, Y. Asano, J. Sausker 8:40—7. Determination and origins of the enantioselectivity in antibody-catalyzed Diels-Alder reactions. C. E. Cannizzaro, K. N. Houk, J. A. Ashley, K. D. Janda 9:00—8. Diastereoselectivity in the 1,2 addi tion of hard nucleophiles to C-6-substituted cyclohexenones. M. C. Mcintosh, H. A. Lindsay, C. L. Salisbury 9:20—9. Enantioselective hydride abstrac tion in organic substrates: Applications for chiral carbenium ions. D. Magdziak, L. H. Pettus, T. R. R. Pettus 9:40—10. Highly efficient and enantioselec tive protocol for the synthesis of natural products containing chiral alkyl chains. S. Huo, E-l. Negishi 10:00—11. Asymmetric dearomatization of resorcinol derivatives and applications in natural product synthesis. R. W. Van De Water, T. R. R. Pettus 10:20—12. Enantioselective a-deprotonation of epoxides. D. M. Hodgson 10:40—13. Asymmetric Mukaiyama-Michael addition catalyzed by S-aryloxazaborolidinones. T. Harada, H. Iwai, A. Oku 11:00—14. Crotylboration with the novel Bcrotyl-10-trimethylsilyl-9-borabicyclo[3.3.2]decanes. C. H. Burgos, J. A. Soderquist

A Catalysis •


•


8:00—17. Effect of para substituents on the rate of bond shift in arylcyclooctatetraenes. J. D. Kehlbeck, S. W. Staley 8:20—18. Dearomatization of benzene: Syn thesis of the bicyclo[2.2.2]octene skeleton through the rhenium-promoted cycloaddi tion of benzene. P. L. Smith, M. D. Chordia, S. H. Meiere, W. D. Harman 8:40—19. Withdrawn. 9:00—20. Facile entry to the tetracyclic 5-76-3 tigliane ring system. T. V. Ovaska, S. E. Reisman, M. A. Flynn 9:20—21. New applications of the IrelandClaisen rearrangement in natural product synthesis. M. C. Mcintosh, S-P. Hong, H. A. Lindsay, T. Yaramasu 9:40—22. Progress toward the synthesis of the eupomatilones. M. C. Mcintosh, S-P. Hong 10:00—23. Rearranged tropane ethers from a mesylate intermediate. L. Ogier, R. M. Baldwin, G. Tamagnan 10:20—24. Total synthesis of (±)peduncularine: Application of the formal [3+2] annulation of cyclohexadienyl silane and chlorosulfonyl isocyanate. K. A. Woerpel, C. W. Roberson 10:40—25. Tandem cycloaddition, retrocycloaddition reaction: Formation of a diazadioxabicyclononene system. M. Z. Nazer, S. Abu Eid, M. J. Haddadin, M. J. Kurth 11:00—26. Rapid assembly of substituted dihydrocyclohepta[3,4]pyrrolo[1,2-a]indoles via a novel, carbene-based rearrange ment reaction. L F. Frey, R. Tillyer, S. G. Ouellet, R. A. Reamer, E. J. J. Grabowski, P. J. Reider, J. Murry 11:20—27. Synthesis of the core ring system of manzamine A using azomethine ylide cycloaddition chemistry. I. Coldham, J-C. Fernandez, R. Rabot, K. M. Crapnell Section D

10:10—33. Solid-phase oligosaccharide syn thesis: Handles and glycosylation meth ods. K. J. Jensen 10:30—34. Stereoselective syntheses of β-cyano glycosides via persilyl-ae-glycosyl iodides. A. S. Bhat, J. Gervay-Hague 10:50—35. Synthesis and conformational analysis of f3C-labeled c/s-isoprenoids. R. A. Gibbs, T. J. Zahn, Z. Guo 11:10—36. Efficient, diastereoselective chemical synthesis of a β-mannosyl phosphoisoprenoid. D. Crich, V. Y. Dudkin 11:30—37. Minimizing tocopherol-dependent oxidation of low-density lipoprotein with amphiphilic unsymmetrical azo initiator. S. M. Culbertson, N. A. Porter • Natural Products: Nature's Combichem cosponsored with Division of Medicinal Chemistry (see page 136) Teaching Organic Chemistry in the New Century cosponsored with Division of Chemical Education (see page 86) • Nucleic Acid-Based Therapeutics and Related Technologies cosponsored with Division of Carbohydrate Chemistry (see page 82)

SUNDAY AFTERNOON Section A Convention Center Room 6B-C Herbert C. Brown Award for Creative Research in Synthetic Methods

T. M. Swager, Organizer, Presiding 1:20—38. Asymmetric catalysis with "planarchiral" heterocycles. G. C. Fu 2:00—39. Discovery of minimal peptide asymmetric catalysts. S. J. Miller 2:40—40. Some catalytic methodology for organic synthesis. S. L. Buchwald 3:20—41. Asymmetric olefin cyclopropanation catalyzed by group VIII metal com plexes. S. Nguyen, R. A. Eveland, W. Jin, E. J. Hennessy 4:00—42. Award Address (Herbert C. Brown Award for Creative Research in Synthetic Methods, sponsored by Aldrich Chemical Co. Inc.). Ruthenium complexes for olefin metathesis. R. H. Grubbs

Section Β Convention Center Room 6F

3:30—47. Applications of target-directed fragment assembly to drug discovery. E. M. Gordon 4:00—48. Chem.Folio design criteria and synthetic considerations. B. Forood, N. Hébert, M. Sud 4:30—49. Microwave technology as a tool to reduce the library development bottleneck. C. R. Sarko

Section C Convention Center Room 9 Asymmetric Reactions and Syntheses

M. P. Sibi, Presiding 1:00—50. Asymmetric synthesis of highly substituted azapolycyclic compounds. B. Junker, M. Reggelin, T. Heinrich 1:20—51. One-pot asymmetric synthesis of polypropionates. M. Calter, X. Guo 1:40—52. Studies toward the total synthesis of eleutherobin via an Ireland-Claisen rearrangement. M. C. Mcintosh, T. Yaramasu, C. McFarland 2:00—53. Synthesis of 2-C-methyl-D-erythritol by stereospecific epoxy ester-orthoester rearrangement. J-L. Giner, J. J. Mullins 2:20—54. Synthesis of optically active 5-hydroxymethyl oxazolidinones from carbohydrate derivatives. G. Wang, R. I. Hollinsworth 2:40—56. Preparation, utility, and structure of a novel sulfinyl-based ligand class for asymmetric catalysis. T. D. Owens, A. J. Souers, J. A. Ellman 3:00—57. Enantioselective oxidative biaryl coupling reactions catalyzed by 1,5diazadecalin metal complexes. M. C. Kozlowski, X. Li, J. Yang 3:20—58. Chiral Lewis base catalyzed asymmetric cyanation of ketones. L. Deng, S-K. Tian 3:40—59. Efficient synthesis of chloramphenicol using asymmetric catalytic aziridination with boron biaryl catalysts. C. Loncaric, J. C. Antilla, W. D. Wulff 4:00—60. Development of the first enantioselective organocatalytic 1,3-dipolar cycloaddition. W. S. Jen, J. J. M. Wiener, D. W. C. MacMillan 4:20—61. Enantioselective isomerization of allylic alcohols catalyzed by a rhodium/ phosphaferrocene complex. G. C. Fu, K. Tanaka, S. Qiao, M. Tobisu, M. M-C. Lo

Section D

• Solid- and Solution-Phase Syntheses and Techniques: Generation of Combinatorial Libraries Symposium Methodology: Chemistry and Techniques for Library Construction


Cosponsored with Division of Carbohydrate Chemistry

Cosponsored with Biotechnology Secretariat and Division of Medicinal Chemistry

Ν. Μ. Carballeira, Presiding

M. J. Green, J. Kiely, Organizers

1:30—62. Dynamic NMR studies of chiroptical switches. J. D. Thoburn, L. B. Aubin, T. M. Wagner, J. P. Parakka, R. R. Schumaker 1:50—63. "Hinged" metalloporphyrins: Active components in novel sensor devices. G. Ashkenasy, A. Shanzer, A. B. Ellis, R. Naaman, D. Cahen 2:10—64. Self-assembled photonic materials. C. M. Drain 2:30—65. Conjugated quinoidal porphyrin oligomers. H. L. Anderson, I. M. Blake, M. J. Smith, D. R. Grève 2:50—66. Construction of multidimensional electroactive organic materials. D. Venkataraman, J. E. Field 3:10—67. Improvement in optical switches due to dramatic lifetime enhancement of colored photochromic species by inclusion in organogels. M. C. Biewer, A. Shumburo

Convention Center Room 7B Saccharides, Oligosaccharides, Fatty Acids, and Lipids

8:30—28. Chemical synthesis of glycopeptides using unprotected oligosaccharides. Z. Guo, S. Wen 8:50—29. Mechanistic imperatives for aldose-ketose isomerization in water. J. P. Richard, R. W. Nagorski 9:10—30. Analysis of peroxide products of cholesteryl arachidonate by LC/MS and GC/MS methods. H. Yin, C. M. Havrilla, J. D. Morrow, N. A. Porter 9:30—31. Mild cleavage of methyl carbam ates with methyltrichlorosilane and the ap plication toward the large-scale syntheses of the 1,3- and 1,4-linked hyaluronan disaccharides. S. L. Adamski-Werner, B. K. S. Yeung, L. A. Miller-Deist, P. A. Petillo 9:50—32. Photo amidoglycosylation of an al lai azidoformate: Synthesis of β-2-amido allopyranosides. C. M. Rojas, C. Kan, C. M. Long, M. Paul, C. M. Ring, S. E. Tully

N. Hébert, Presiding 1:30—43. New soluble and solid-phase polymers for the generation of combinatorial libraries. K. D. Janda 2:00—44. New Rasta resins. J. C. Hodges, R. H. Hutchings, S. Ault-Justus, J. J. Machak, G. L. Bolton 2:30—45. Probing the reactivity of solid supports via competition experiments and Hammett relationships. S. W. Gerritz 3:00—46. Purification of combinatorial libraries by OntoCHROM: A novel highthroughput SFC technique. G. E. Barker, K. M. Short, J. D. Krakover, P. V. Pallai, R. Maiefski, W. C. Ripka

Materials, Devices, and Switches

D. V. McGrath, Presiding

M Materials ^W Medicinal & Pharmaceutical •


^

Presidential Series

146

C&EN / MARCH


5, 2 0 0 1


3:30-—68. Optoelectronic switches incorpo rating the dimethyldihydropyrene moiety. M. J. Marsella, Z-Q. Wang, R. H. Mitchell 3:50—69. Study of cross-conjugated polyenyne oligomers. Y. Zhao, R. R. Tykwinski 4:10—70. Understanding and improving a small-molecule system for the fluorescent transduction of glucose. D. R. Cary, N. P. Zaitseva, R. A. Reibold, J. H. Gable, Κ. Ε. O'Day, K. Gray, C. B. Darrow, S. M. Lane, T. A. Peyser, J. H. Satcher Jr., A. M. Heiss, G. Noronha, J. R. Reilly, J. A. Tran, D. J. Vachon 4:30—71. Photoisomerization of (Eand Z ) 2-f-butyl-9-(2,2,2-triphenyl)ethylidenefluo rene. T. W. Bell, D. J. Phillips, V. J. Catalano Teaching Organic Chemistry in the New Century cosponsored with Division of Chemical Education (see page 87) • Nucleic Acid-Based Therapeutics and Related Technologies cosponsored with Division of Carbohydrate Chemistry (see page 82)

SUNDAY EVENING Convention Center Sails Pavilion Bioorganic, Combinatorial, Molecular Recognition, Heterocycles, and Aromatics

L. McElwee-White, Organizer, Presiding 8:00-10:00 72. Electrochemical synthesis of functionalized triphenylene ketals. S. R. Waldvogel, J. Herbrueggen, D. Mirk 73. Biologically inspired helical recognition motifs. A. J. Kennan, N. A. Schnarr 74. Synthesis of new fluorescent, polymerizable, metal-chelating lipids. L. M. Mizeur, B. Roy, S. Mallik 75. Tellurium- and selenium-bridged over crowded heteromerous bistricyclic enes. A. Levy, P. U. Biedermann, S. Cohen, I. Agranat 76. De novo protein surface design: Applica tion of a "molecular hinge" to a model pro tein surface for the recognition of a small molecule with high affinity in 50% water. B. P. Orner, A. D. Hamilton, X. Salvatella, E. Giralt, J. Sanchez-Quesada, J. de Mendoza 77. Design and synthesis of a foldameric podand. P. G. Willis, A. Cammers-Goodwin, M. Sindkhedkar 78. Design, synthesis, and bioassay of NAALADase inhibitors. Y. Chen, P. Helquist, M. Tenniswood, M. J. Miller, O. Wiest, J. Oliver, M. Brown 79. New antimicrobial 2-methoxylated fatty acids from the phospholipids of two Carib bean sponges. N. M. Carballeira, M. Pa gan, J. Alicea 80. Phenyl-lactam structure as mimetic of peptide turn. N. Xi, S. Xu, J. Zhu, S. Arvedson, J. Zhang, T. Osslund, C. Dominguez 81. Rink isonitrile resin: A universal platform for isonitrile-based nonclassical multicomponent reactions. L. West, J. J. Chen, A. Golebiowski, S. Klopfenstein, J. McClenaghan 82. Synthesis and evaluation of a C-terminal α-helix cap. C. A. Hutton, T. P. Shiau, P. A. Bartlett 83. Synthesis of tetrahydroquinoline deriva tives on solid support using an intramolec ular Diels-Alder reaction. X. M. Wang, G. C. Look, L. L. Lee, M. M. Murphy 84. Transition-state mimics for the inhibition of sterol methyl transferase. T. L. Boos, E. J. Parish 85. Improved solid support for combinatorial chemistry. M. J. Prince, A. W. Schwabacher


86. Combinatorial and parallel synthesis of quorum sensing inhibitors. J. A. Olsen, B. F. Larsen, J. Nielsen 87. Design, synthesis, and property of the novel ammonium-selective ionophores. H-S. Kim, K. S. Do, K-l. Kim 88. Elucidating the structural arrangement of EF hands in calbindin D28k. K. E. Connell, E. Thulin, S. Linse, R. Fairman, K. S. Akerfeldt 89. Facile synthesis of α-amino alcohols from α-amino acids. S-H. Hwang, M. Blaskovich, H-O. Kim 90. Gas-phase cation-π complexation of cy clic and acyclic oligo[(dimethylsilylene)phenylene]s: Electrospray mass spectrom etry analysis and theoretical investigation. M. Yoshida, S. Tsuzuki, N. Tamaoki 91. Identification of phospholipid oxidation products from low-density lipoproteins. G. J. Lohr, N. A. Porter 92. Linear spatially encoded combinatorial synthesis. C. W. Johnson, A. W. Schwabacher 93. Solid-phase synthesis of β-lactams via the ester enolate-imine condensation route. D. Enders, S. Schunk 94. Synthesis of 2-aminobenzoxazole librar ies on solid support. A. L. Hannah, Y. W. Chen, S. Zhu, C. C. Hecht, S. C. Sutton 95. Synthesis of the tricyclic core of the martinellines via rearrangement of a β-lactam. J. K. Schellhaas, G. L. Bolton 96. Viral-like self-assembly: From design and synthesis to microscopy. A. CammersGoodwin, B. Zhao, C. Chowdhury, E. C. Dickey 97. New β-selective thyroid hormone ana logs. N-H. Nguyen, T. S. Scanlan 98. Novel estrogen receptor ligands to probe subtype-selective activation at AP-1 sites. N. J. Clegg, T. S. Scanlan 99. Synthesis and conformational analysis of β-turn inducers that contain a hydrophobic core. J. A. Turk, D. B. Smithrud 100. SACA-templates as biomimics of pro tein binding domains. D. B. Smithrud, S. Dickess 101. Thermodynamic regulation of mediumchain acyl-CoA dehydrogenase. T. R. Lamm, T. Kohls, M. T. Stankovich 102. Mechanistic and inhibition studies of chitin synthase. A. R. Yeager, N. S. Finney 103. Noncovalent DNA binding by the antitu mor antibiotic leinamycin. L. Breydo, H. Zang, K. S. Gates 104. Northwest quadrant of Altromycin B: A synthetic approach. P. Pasetto, R. W. Franck 105. Probing the biogenetic pathway of FR182877. L M. Stark, E. J. Sorensen 106. Short stereocontrolled synthesis of ami no sugars via the three-component reac tion of sugars, amines, and alkenyl boronic acids. N. A. Petasis, Z. D. Patel, I. A. Zavialov 107. Synthesis of 9-(2-thio^-D-arabinofuranosyl)adenine 5'-diphosphate as a valu able probe to study the mechanism of in hibition of ribonucleoside reductases. D. R. Companion!, Y. Suros, P. I. Garcia Jr., S. F. Wnuk 108. Synthesis of amino acid based crosslinking monomers for molecular imprinting. D. A. Spivak, M. Sibrian-Vazquez 109. Design and synthesis of cyclic lanthionine enkephalin analogs: δ-Opioid recep tor selective ligands. M. Goodman, Y. Rew, S. Malkmus, C. Svensson, T. L. Yaksh, N. N. Chung, P. W. Schiller, J. D. Daubert, J. A. Cassel, R. DeHaven 110. Synthesis of constrained lysine deriva tives. T. E. Munsch, J. D. Tran, B. Li, R. A. Stalker, A. Beatty, R. Warmuth 111. Synthesis and evaluation of phosphoramidate amino acid based inhibitors of sialyltransferases. L. J. Whalen, K. A. McEvoy, R. L. Halcomb 112. Total synthesis of Pk trisaccharidebased glycopolymers. J. M. Gargano, W. J. Lees, D. Acheson, T. Ngo 113. Withdrawn. 114. Withdrawn. 115. Sequence specificity of DNA alkylation by leinamycin. K. S. Gates, H. Zang 116. Syntheses of organic phosphates con taining fluorine atoms or trifluoromethyl groups for structural analysis by solidstate NMR. P. Chirakul, E. Louie, G. P. Drobny, S. T. Sigurdsson

117. Synthesis of a novel fluorinated building block for peptidomimetic drug targets. J. R. Del Valle, M. Goodman 118. Novel synthesis of peptides and peptidomimetics via the three-component reac tion of glyoxamides, amines, and organoboronic acids. N. A. Petasis, X. Yao 119. Parallel Grignard synthesis and purifica tion of cyclopropyl-subsituted amino ke tones. S. Ghassemi, P. Rahn 120. Synthesis of deoxy-3-deazapurine nu cleotides and their recognition as sub strates by DNA polymerases. S. Ghosh, K. Devine, C. Whitehead, S. A. Benner 121. Modified nucleosides: Metal-catalystmediated insertion of thio functionality in pyrimidines. A. Roy Chowdhury, H. Held, S. A. Benner 122. Withdrawn. 123. Highly tunable acid-sensitive amino pro tection utilizing /V-methyl aminoisobutyric acid derivatives. N. D. Smith, M. Good man 124. Loop invasion of an unusually stable DNA hairpin by DNA probes. S. A. Kushon, J. P. Jordan, B. A. Armitage 125. Loop invasion of unusually stable DNA hairpins by PNA probes. J. P. Jordan, S. A. Kushon, J. Seifert, B. A. Armitage 126. Photochemically induced electron trans fer catalyzed radical cyclization: A practi cal method for inducing structural changes in peptides by formation of cyclic amino acid derivatives. M. Jonas, S. Blechert, E. Steckhan 127. Synthesis and biological activity of methylenecyclobutane analogs of nucleo sides with axial chirality. R. Wang, J. Zemlicka 128. "-Tides": The 1,2-dihydro-3(6H)-pyridinone unit as a β-strand mimic. S. T. Phillips, M. Rezac, U. Abel, M. Kossenjans, P. A. Bartlett 129. Diastereoselective synthesis and ring opening of /V-phthalimidoaziridines: Syn thesis of substituted hydrazino acid deriv atives. C. Xiong, W. Wang, V. Hruby 130. Efficient, asymmetric synthesis of dipeptide β-turn mimetics: Indolizidinone amino acids. W. Wang, C. Xiong, V. J. Hruby 131. Synthetic efforts toward the preparation of β-deuterated amino acids. J. L. Faulkner, J. P. Boggs, M. McMasters, R. W. Curley Jr., M. J. Panigot 132. Four-step route to a tetrahydroisoquinoline library through Hofmann elimination from resin. H. Yip, L. L. Lee, M. M. Murphy 133. Novel hydrophilic polymer supports for solid-phase synthesis. R. Kita, F. Svec, J. M. J. Fréchet 134. Solid-phase synthesis of piperazine derivatives on ACT high-pressure blocks, ARES reactors. M. Fernandez-Saiz, Ο. Μ. Saavedra, H. Saneii, B. Lou 135. Solid-phase synthesis of Λ/,/V-dialkylaniline derivatives on ACT high-pressure reaction blocks, ARES reactors. Ο. Μ. Saavedra, M. Fernandez-Saiz, H. Saneii, B. Lou 136. Synthesis of piperazinyl thiazolidinones on solid support and subsequent biological evaluation. M. M. Murphy, B. A. Siesel, T. Dias 137. Synthesis of mesylated wang resin. Y. Ge, M. S. Brody, S. Collier, T. N. Ngyuen, J. Yu, D. D. Holsworth 138. Tetrazoles: Novel, efficient, and atomeconomic chemistries producing highquality arrays for lead discovery. T. Nixey, C. Hulme 139. Vinyl sulfones in solid-phase synthesis: Preparation of functionalized 4,5,6,7tetrahydroisoindole derivatives. M. J. Kurth, W-C. Cheng 140. Application of the Passerini reaction to ward the solid-phase synthesis of a-keto and α-hydroxy amides. V. J. Huber, G. Nagula, C. Lum, B. A. Goodman 141. Convenient one-pot Heck reaction of acrylamides in solution and on solid sup port. D. H. Slee, T. N. Nguyen, J. Yu, N. R. K. Raheja

142. Mechanistic insights into the titanium(IV) isopropoxide reductive amination re action. J. C. DiCesare, H. Black, L. Craft, C. E. White 143. Methodology toward the solid-phase production of a library of tetrahydroquinolines. K. M. Short, W. K-C. Park, W. C. Ripka, T. K. Jones 144. Multiple "druglike" heterocyclic tem plates derived from novel MCC/SNAr methodologies. P. A. Tempest, C. Hulme 145. Novel and facile formylation methodolo gy of ΛΖ-alkyl anilines by using a combina tion of RS0 2 CI (R = alkyl or aryl) and DMF. W. K-C. Park, K. M. Short, T. K. Jones, W. C. Ripka 146. Poly(arylsulfone) dendrimers as "NMR quiet" homogeneous supports in combina torial chemistry. M. D. Wall, P. C. Taylor, P. R. Woodward 147. Convenient solution-phase synthesis and purification of aryl ether. S. Ghas semi, P. Rahn 148. It's not magic: It's a novel traceless resin-bound guanidinylating reagent. C. W. Zapf, M. Goodman 149. Synthesis of a reactive bis-oxazoline cross-linked polymer. M. Reynoso-Paz, M. M. Olmstead, M. J. Kurth, N. M. Schore 150. Synthetic studies toward novel polyketide libraries on solid support. I. Paterson, T. Laib, J. P. Scott, J. W. A. Kinnaird, M. Donghi, K. Gerlach 151. Aldehydes via a solid-phase, photo chemical route. R. L. Blankespoor, T. S. De Vries, A. M. Klooster, J. A. Mulder, J. M. Kallemeyn 152. Synthetic and structural studies of triplytemplated β-sheet mimics. J. S. Nowick, J. M. Cary, H. T. Mee, J. H. Tsai, W. A. Russu 153. Toward proteomimetics: Terphenyl de rivatives as structural and functional mim ics of extended regions of an α-helix. A. D. Hamilton, B. P. Orner 154. Withdrawn. 155. Synthesis of DTPA analogs derived from piperidine and azepine: Potential contrast enhancement agents for magnet ic resonance imaging. H-S. Chong, K. Garmestani, L. H. Bryant, M. W. Brechbiel 156. Self-assembly of bis-piperazine-2,5diones in the solid state. R. A. Kloster, E. A. Mash 157. Modular trimeric liquid crystals with emissive properties. A. C. Sentman, D. L. Gin 158. Molecular imprinting of oligonucleotides. D. Batra, K. J. Shea 159. Dual-signaling fluorescent chemosensors based on conformational restriction and induced charge transfer. J. V. Mello, N. S. Finney 160. Modes of β-sheet recognition in pep tides that form hydrogen-bonded dimers. J. S. Nowick, C. M. Gothard, J. K. Huon 161. Amino acid that templates β-sheet for mation in peptides. J. S. Nowick, W. E. Kemnitzer, S. Maitra, K. S. Lam, R. Liu 162. Crystal packing of strongly dipolar piperazine-2,5-diones. B. Jagadish, E. Mash, L J. Williams, M. D. Carducci, C. Bosshard 163. Diastereoselective self-assembly of a pentacoodiante siliconate tetraanionic mo lecular square: A mechanistic investiga tion. J. J. Pak, J. Greaves, K. J. Shea 164. Crystal engineering: Design, syntheses, and characterizations of a family of com pounds demonstrating liquid-crystalline properties. Κ. Ε. Wells, H. Zak, C. Zak, M. D. Carducci, E. Mash 165. New emergent properties through struc tural elaboration of self-assembling cap sules. F. Hot, P. M. lovine, J. Rebek Jr.

Photographing of slides and/or taping of talks is prohibited unless permission is obtained from individual presenters C & E N / M A R C H 5, 2 0 0 1

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166. Electrospray mass spectra of noncova188. Convenient synthesis of Ν,Ν,Ν'lent complexes between amidines and trisubstituted ethylenediamine derivatives various organic acids. A. Kraft, L. Peters, from 2-methyl-2-imidazoline. C. Xia, C. R. Ferguson Kang, H. Wang, J. Chen, B. Zhao, P. Zhou 167. Synthesis and new signal transduction 189. Aminolysis of 1,2-dimethyl-3mode of a pentiptycene-bispyrenyl metal arylsulfonyl-4,5-dihydroimidazolium io ion sensor. J-S. Yang, C-S. Lin, C-Y. dides with aromatic amines. C. Xia, J. Hwang Chen, B. Zhao, H. Wang, C. Kang, P. 168. Fluorescent chemosensors based on Zhou conformational restriction of a biaryl fluoro190. Novel synthesis of a pyrrolo[3,2-d]phore. S. A. McFarland, N. S. Finney pyrimidine. C. T. Brown, T. R. Welter, B. 169. Tubular structures from the stacking of Owczarczyk cyclic ureas. L S. Shimizu, A. D. Hughes, 191. Studies on 1,5-naphthyridine (MeisenD. Gray, K. D. Shimizu heimer revisited). E. Biba, A. J. Lin 170. Isotopic labeling of flavonol glucosides. 192. Mixed aza-oxa- and aza-oxa-thia- ana S. T. Caldwell, R. C. Hartley, A. Crazier logs of dibenzo-crown ethers. S. H. Haus171. Stereoisomerism in the series of quarner, H. Zimmer ternary isoindolium salts. Y. V. Balytskyy, 193. Design, synthesis, and photographic O. V. Hordiyenko, M. Y. Kornilov chemistry of a new class of yellow image 172. Synthesis and utility of novel ynamides. dyes. T. R. Welter J. A. Mulder, C. A. Zificsak, C. J. Douglas, 194. Efficient preparation of substituted pyrH. Xiong, L-L. Wei, E. McLaughlin, R. rolidinones via 5-endo radical cyclizations Hsung mediated by copper(l) amine complexes. 173. Synthesis of 1,2,3-triazolines from Schiff J. P. McDonagh, A. J. Clark, C. P. Dell bases and p-tolylsulfonyldiazomethane. S. 195. Natural and unnatural hydroxylated pyr R. Angle, S. Z. Shaw rolidines and homohydroxyproline precur 174. Synthesis of 3-pyrrolines and pyrroles sors. D. F. A. Hunter, G. W. J. Fleet, T. M. from α-amino aliènes. R. K. Dieter, H. Yu Krulle, J. C. H. M. Wijkmans, C-Y. Yu 175. Synthesis of a double confused tripyr196. Selective synthesis of substituted rane. M. D. Parikh, T. D. Lash tetrahydroquinoline-4-carboxylic esters by 176. Synthesis of multistyrenic aromatic a tandem reduction-reductive amination compounds. W. A. Cristofoli, D. Uhrig, J. reaction. R. A. Bunce, D. M. Herron, L. B. W. Mays Johnson, S. V. Kotturi 177. Synthesis of polyazamacrocyclic compounds via modified Richman-Atkins cyMONDAY MORNING clization of 2-trimethylsilylethanesulfonamides. R. C. Hoye, J. E. Richman, G. A. Section A Dantas, M. F. Lightbourne, L. S. ShinneConvention Center man Room 6B-C 178. Synthesis of simple aryl neutral sphingomyelinase inhibitors. J. N. Chau, T. R. Ε. Β. Hershberg Award for Important R. Pettus Discoveries in Medicinally Active 179. Synthesis, physical and spectral properSubstances ties, and some reactions of a new stable Cosponsored with Division of Medicinal bis-a-lactam (aziridinone) with a terpene Chemistry skeleton. I. Lengyel, V. O. Cesare, T. Taldone W. Greenlee, Organizer, Presiding 180. Unprecedented formation of N,Sheterocycles cyclic amidine and cyclic 8:45—197. Chemistry-medicine continuum: hemiaminals from intramolecular cyclizaThe design, synthesis, and evaluation of tion of aromatic nitro and aromatic amino novel therapeutic agents and new drug compounds using stannous chloride. K. delivery systems. P. A. Wender LI, D. K. Bates, R. L. Luck 9:30—198. Biaryl cross-links in peptides and 181. Solution- and solid-phase synthesis of natural products synthesis. D. L. Van unsymmetrical azacyanines. M. J. Kurth, Vranken R. E. Sammelson, K. S. Huang, M. J. 10:15—199. Nature's combinatorial library as Haddadin a source of anticancer drug leads. D. I. 182. Synthesis and characterization of thiKingston eno[3,4-b]pyrazines. D. J. Sattler, M. R. 11:00—200. Award Address (Ε. Β. Hersh Funfar, T. R. Calhoun, K. A. Mitchell, D. D. berg Award for Important Discoveries in Kenning, S. C. Rasmussen Medicinally Active Substances, sponsored 183. Friedlànder condensations with steroidby Schering-Plough Corp.). Discovery, de al ketones. R. P. Thummel, D. G. Patel, velopment, and chemical biology of newM. S. Mudadu, S. Gladiali, G. Chelucci generation taxane anticancer agents. I. 184. Nucleophilic addition to 1,2-dimethyl-3Ojima arylsulfonyl-4,5-dihydroimidazolium iodides. C. Xia, J. Chen, H. Wang, C. Kang, Section Β B. Zhao, P. Zhou Convention Center 185. Preparation of 6-, 7-, and 8-substituted Room 6F derivatives of 2-oxa-1,3,4,10-tetraazacyclopenta[b]fluorene-9-one. L. D. Bratton, • Solid- and Solution-Phase Syntheses P. C. Unangst, J. R. Rubin, B. K. Trivedi and Techniques: Generation of 186. Azulene analogs of the tripyrranes and Combinatorial Libraries Symposium carbaporphyrinoids therefrom. S. GraApplications in Product Discovery and ham, T. D. Lash Development 187. 2,6-Dichloro-9-thiabicyclo[3.3.1 ]nonane: A superior electrophile for heteroatom Cosponsored with Biotechnology Secretariat substitution. A. Converso, Κ. Β. Sharpand Division of Medicinal Chemistry less, M. G. Finn, K. Burow, A. Marzinzik

S. Venkatraman, Presiding

9:00—201. Use of combinatorial libraries in drug discovery: Application in lead finding and optimization. J. J. Baldwin 9:30—202. Solid- and solution-phase synthe sis of nonpeptide erythropoietin competi tors. P. J. Connolly, S. K. Wetter, Κ. Ν. Beers, W. V. Murray

A Catalysis •


•


Ν Materials

10:00—203. Parallel synthesis in the optimi zation process of bile acid reabsorption in hibitors. H. Glombik, A. Enhsen, W. Kramer 10:30—204. Combinatorial synthesis of CCR5 antagonists. C. A. Willoughby, S. C. Berk, K. Rosauer, S. Degrado, K. Chapman, M. S. Springer, J. A. DeMartino, S. L. Gould, S. C. Siciliano, L. Malkowitz, W. A. Schleif, D. Hazuda, M. Miller, R. Kessler, R. Danzisen, K. Holmes, J. Lineberger, A. Carella, G. Carver, E. Emini 11:00—205. Use of semi-automated and au tomated parallel solid-phase synthesis in the discovery of two novel non-thiolcontaining peptidomimetic inhibitors of protein farnesyl transferase. D. M. Kalvin, J. J. Larsen, R. Swenson, T. Sowin, D. J. Augeri, D. Janowick, K. J. Henry, J. Wasicak, S. O'Connor, G. Sullivan, A. Tasker, J. Cohen, S. Sebti, A. Hamilton, S. Rosen berg 11:30—206. Fluorous mixture synthesis: A new technique for solution-phase synthe sis of mixtures that provides for isolation of the final products as individual pure com pounds. D. P. Curran

10:20—220. Nb 2 0 5 as catalyst in the fixation of carbon dioxide into epoxide to afford or ganic carbonates with retention of stereo chemistry. A. Dibenedetto, M. Aresta 10:40—221. Catalytic asymmetric DielsAlder reactions mediated by aluminum complexes from VAPOL analogs. H. Wu, D. P. Heller, D. R. Goldberg, S. M. Yeung, W. D. Wulff 11:00—222. Asymmetric catalysis by 3-mono- and 3,3'-disubstituted chiral 1,1'bi-2-naphthol derivatives. L. Pu, D. Simonson, K. B. Kingsbury, Q-S. Hu, W-S. Huang, D. Moore, H-B. Yu, A. Trocchia 11:20—223. Catalytic asymmetric synthesis of β-sulfonyl-a-alkylpropionic acids. C. F. Palmer, S. J. Faulconbridge, J. M. Paul, P. D. Tiffin 11:40—224. Kinetic resolution of secondary alcohols via oxidation. M. S. Sigman, D. Jensen Teaching Organic Chemistry in the New Century cosponsored with Division of Chemical Education (see page 88)


Section C Convention Center Room 9

Convention Center Room 6B-C

Women in Organic Chemistry Cosponsored with Women Chemists Committee

Alfred Bader Award in Bioinorganic or Biorganic Chemistry

R. S. K. Majerle, Organizer J. L. Bryant, R. S. K. Majerle, Presiding 9:00—Introductory Remarks. 9:15—207. Advances in chemical process research. C. A. Maryanoff 9:45—208. Novel "aldol" reactions of cyclic pentacovalent phosphoenol ethers: Ap proaches to the syntheses of 2- and 3-phosphonomethyl derivatives of arabinose. C. K. McClure, T. R. Boehlow, L. A. Alegria, T. A. Madsen 10:15—209. New methods for the synthesis of bisindolylmaleimides and indolocarbazoles. M. M. Faul 10:45—210. Catalytic oxidative carbonylation of amines to ureas. L. McElweeWhite 11:15—211. Strategies and methods in or ganic synthesis. K. A. Parker 11:45—212. Studies toward the synthesis of phomactin A. N. I. Totah, P. P. Seth

Section D Convention Center Room 7B Asymmetric Reactions and Syntheses

M. DeLong, Presiding 8:00—213. New approach to the total syn thesis of (S)-(+)-tylophorine. D. C. Baker, S. Zhong, T. Chen 8:20—214. Competitive asymmetric autocatalysis. M. H. Todd 8:40—215. Enantioselective synthesis of amines through Zr-catalyzed addition of dialkylzinc reagents to imines: Catalyst identification and optimization through high-throughput screening. J. R. Porter, J. F. Traverse, A. H. Hoveyda, M. L. Snap per 9:00—216. Develop new asymmetric catalyt ic C-C bond-forming reactions. X. Zhang 9:20—217. Recent advances in asymmetric catalytic reactions. X. Zhang 9:40—218. Highly efficient asymmetric cyanation of substituted benzaldehydes by a new salen catalyst. X. R. Bu, S. Liang, F-L. Hsu 10:00—219. PINDY and MINDY: Novel 2,2'bipyridine-type ligands and their applica tion in asymmetric catalysis. P. Kocovsky, A. V. Malkov, M. Bella, M. Bell, D. Pernazza, I. G. Stara, I. Stary

A. W. Czamik, Organizer, Presiding 2:00—225. Chemical tools for functional genomics. N. S. Gray 2:40—226. Combinatorial chemistry target ing protein families. J. A. Ellman 3:20—227. Unnatural ligands for engineered receptors: Kinase functional genomics. K. Shokat 4:00—228. Award Address (Alfred Bader Award in Bioinorganic or Bioorganic Chemistry, sponsored by Alfred Bader). Functional molecules: A lesson from na ture. P. G. Schultz

Section Β Convention Center Room 6F Photochemistry Becomes More Complex Cosponsored with Division of Physical Chemistry

C. C. Wamser, Organizer, Presiding 1:3fJ—Introductory Remarks. 1:35—229. Charge-transfer photochemistry via electron donor/acceptor organizations. J. K. Kochi 2:15—230. Supramolecular and magnetic control effects in organic photochemistry. N. J. Turro 2:55—Intermission. 3:00—231. Nanocrystalline titanium dioxide solar cells sensitized with ruthenium or os mium polypyridyl complexes: Photoelectrochemical studies and electron-transfer dynamics. D. Kuciauskas, G. Sauvé, M. S. Freund, Η. Β. Gray, J. R. Winkler, N. S. Lewis 3:40—232. Photoprocesses in ordered thin films. T. L. Penner, D. G. Whitten 4:20—233. Extracting fundamental (simple) photochemical and photophysical informa tion from reactions of guest molecules in complex polymeric media. W. Gu, R. G. Weiss

*W Medicinal & Pharmaceutical •


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Presidential Series

148

C&EN / MARCH


5, 2 0 0 1


Section C

Section C

M O N D A Y EVENING




Women in Organic Chemistry

Sci-Mix

Metal-Mediated Reactions and Syntheses

Cosponsored with Women Chemists Committee

L McElwee-White, Organizer, Presiding

J. L. Bryant, R. S. K. Majerle, Presiding 1:30—234. Didemnins as probes of cell biol ogy. M. M. Joullie 2:00—235. Uses of alkene reactivity correla tions in organic synthesis. D. J. Nelson 2:30—236. 3-Amino-1,5-dioxaspiro[3.2]hexanes: Templates for the synthesis of bio logically important α-galactosyl ceramides. A. R. Howell, A. J. Ndakala, M. Hashemzadeh, R. C. So 3:00—237. Novel peptide-based affinity la bels: The design and solid-phase synthe sis of opioid peptide analogs using diverse protection strategies. J. V. Aldrich, H. Choi, V. Kumar 3:30—238. Design and synthesis of potent PARP-1 inhibitors. S. S. Canan Koch 4:00—239. Minimalist helical proteins target specific DNA sites. J . A. Shin, A. R. Lajmi 4:30—240. Controlling ABA levels in plants with mechanism-based inhibitors. S. R. Abrams

Section D Convention Center Room 7B Proteins, Peptides, Amino Acids, and Nucleotides

J. S. Nowick, Presiding 1:00—241. Production of SERS active DielsAlder cycloadducts using a novel benzotriazole dienophile for use in biological label ing. D. Graham, A. Grondin, D. Robson, W. E. Smith 1:2rj—242. Regiospecific oxidation of paraquinone methide precursors for improved phosphodiester alkylation and product sta bility. K. D. Turnbull, T. L. Hudgens 1:40—243. Solution-phase parallel synthesis of libraries of uracil derivatives. Y. Zhou, J. Caserta, E. Marier, M. Harris, C. Baldino 2:00—244. Use of HIV-1 reverse tran scriptase mutants in the expansion of the genetic alphabet: Incorporation studies of pyDAD-puADA base pairs. A. M. Sismour, S. Lutz, S. A. Benner 2:20—245. Extending the genetic alphabet: Enzymatic incorporation of a new pair of A-D-A purine and D-A-D pyrimidine bases into DNA. P. Rao, A. M. Sismour, S. A. Benner 2:40—246. DNA template-directed assembly of metallosalen-DNA conjugates. T. L. Sheppard, J. L. Czlapinski 3:00—247. Aromatic groups in peptide-RNA recognition. J. C. Shiels, J. B. Tuite; D. M. Blakaj, D. L. Beveridge, A. M. Baranger 3:20—248. Cytosine-to-uracil mutation revis ited: Theoretical and experimental mecha nistic studies of the nitrosative cytosine deamination. R. Glaser, S. Rayât 3:40—249. Synthesis of deoxyguanosine adducts of the food mutagen IQ. Z. Wang, C. E. Elmquist, C. J. Rizzo 4:00—250. Independent generation and reactivity of the 5,6-dihydro-2'-deoxyuridin6-yl radical. K. N. Carter, M. M. Greenberg 4:20—251. Hydroxyl radical probing with the double-stranded RNA binding domain of PKR. R. J. Spanggord, P. A. Beal 4:40—252. Synthesis and study of homo-Cnucleotide analogs of deoxyadenosine formamidopyrimidine (Fapy-dA). M. O. Delaney, M. M. Greenberg Teaching Organic Chemistry in the New Century cosponsored with Division of Chemical Education (see page 91)

8:00-10:00 76, 79, 80, 85, 86, 89, 96, 97, 98, 100, 106, 108, 111, 112, 114, 121, 124, 126, 127, 130, 151, 153, 163, 166, 175, 183, 187, 188,191,193. See previous listings. 332, 335, 337, 340, 344, 346, 347, 356, 361, 362, 365, 367, 368, 370, 372, 376, 379, 381, 391, 398, 399, 401, 404, 406, 503, 511, 515, 516, 521, 522, 526, 530, 535, 542, 543, 545, 547, 554, 557, 559, 560, 561, 566, 567, 568, 575, 577, 581, 585. See subsequent listings.

TUESDAY MORNING Section A Convention Center Room 6B-C ACS Award in Pure Chemistry

C. A. Maryanoff, Organizer, Presiding 9:00—Introductory Remarks. 9:05—253. Understanding amyloidogenicity in vitro and in vivo toward therapeutic intervention. J. W. Kelly 9:50—254. Engineered biosynthesis of polyketide natural products in heterologous hosts. C. Khosla 10:35—255. Automated synthesis of complex carbohydrates and heparin-like glycosaminoglycans. P. H. Seeberger 11:20—256. Award Address (ACS Award in Pure Chemistry, sponsored by Alpha Chi Sigma Fraternity). Chemical modulators of cell surface function. C. R. Bertozzi

Section Β Convention Center Room 6F A Selectivity in Organic Chemistry and Catalysis Catalysis Cosponsored with Division of Inorganic Chemistry

D. B. Grotjahn, Presiding 8:00—265. Organolanthanide-catalyzed intramolecular hydroamination/cyclization of amines tethered to 1,2-disubstituted alkenes. J. Ryu, T. J. Marks, F. E. McDonald 8:20—266. Availability of dysprosium diiodide as a powerful reducing agent in organic synthesis. W. J. Evans, Ν. Τ. Allen 8:40—267. Regioselective tandem additions to Ti2-naphthalene utilizing electronically tunable Re(l) metal fragments. M. T. Valahovic, W. D. Harman 9:00—268. Stereoselective propargylations with planar chiral chromium arene com plex substituted propargyl cations. T. J. J. Muller, A. Netz 9:2fJ—269. Synthetic studies toward Taxol: A look at the diastereoselective formation of taxane Α-ring synthons from Fischer carbenes and chiral dienynes. M. J. Fuertes, W. D. Wulff 9:40—270. Synthesis of o-quinoidal furanopyrones and thienopyrones from coupling of 3-alkynyl-2-furancarboxaldehydes with Fischer carbene complexes. J. W. Herndon, Y. Zhang 10:00—271. Indium-mediated atom transfer cyclization. G. R. Cook, S. Erickson, M. Hvinden 10:20—272. Methodology for the stereospecific formation of spirolactams using organoiron chemistry. I. Bennouna-Dorange, A. J. Pearson 10:40—273. Iron-catalyzed carbocyclization approach to the enantioselective synthe ses of isoprostanes and related structures. J. M. Takacs, V. R. Suresh, S. J. Mehrman 11:00—274. C-H insertions and C-C cy clization reactions by a stable germylene. K. A. Miller, M. Banaszak Holl, I. Horste, J. Kampf, T. Watson, J. E. Bender IV 11:20—275. Diastereoselective allylation re action of imines with allyl halide mediated by indium. Y. Kim, K. E. Oh, G. Kim, S. B. Kang, D. J. Choo 11:40—276. Novel bulky C3-symmetric ferrocenylphosphine, and its application to the Suzuki reaction of aryl chlorides. C. J. Ri chards, T. E. Pickett

S. T. Nguyen, M. G. Finn, Ε. Ν. Jacobsen, Organizers T. A. Spencer, Presiding 8:00—Introductory Remarks. 8:10—257. Sharpless catalysts, reagents, and procedures. I. E. Marko 8:50—258. Practical osmium-catalyzed oxi dations of olefins. V. V. Fokin 9:15—259. Selective oxidations for solutionphase chemistry. L. K. Truesdale 9:40—260. Advances and adventures in oxi dation reaction. M. Bélier 10:05—Intermission. 10:20—261. New aspect of asymmetric catalysis of metallosalen complexes. T. Katsuki 10:45—262. From nickel-containing enzymes to new synthetic methods. L S. Liebeskind, J. Srogl, C. Savarin, W-W. Huang, Y. Yu 11:10—263. Palladium-catalyzed coupling reactions. G. C. Fu 11:35—264. Use of achiral ligands in asymmetric catalysis. P. J. Walsh, J. Balsells, T. Davis, J. M. Betancort

Section D Convention Center Room 7B Proteins, Peptides, Amino Acids, and Nucleotides

A. M. Baranger, Presiding 8:30—277. Facile and versatile method for parallel synthesis of peptide microarrays. J. P. Pellois, X. Gao, O. Srivannavit, E. Gulari, X. Zhou 8:50—278. New solid-phase strategies utiliz ing α-azido acids as building blocks in peptide synthesis. J. T. Lundquist IV, J. C. Pelletier 9:10—279. Facile chemoselective synthesis of dehydroalanine-containing peptides. N. M. Okeley, Y. Zhu, W. A. van der Donk 9:30—280. Unnatural backbone engineering of chymotrypsin inhibitor 2. G. S. Beligere, P. E. Dawson 9:50—281. Site-specific attachment of a pro tein to a multivalent platform: Synthesis of U P 993, a tetravalent protein conjugate. D. S. Jones, K. A. Cockerill, C. A. Gamino, J. R. Hammaker, H-T. Ton-Nu 10:10—282. Self-association and mem brane-binding behavior of melittins con taining trifluoroleucine. A. Niemz, D. A. Tirrell

10:30—283. Protein engineering by in vivo incorporation of methionine analogs. K. L. Kiick, R. Weberskirch, E. Saxon, C. R. Bertozzi, D. A. Tirrell 10:50—284. Modified Akabori reaction for sequence determination of peptides derivatized at the N-terminus. A. K. Bose, Y-H. Ing, B. N. Pramanik, A. Bhattacharjee, A. H. Sharma 11:10—285. Molecular recognition between β-sheets in proteins and in model sys tems. J. S. Nowick, J. M. Cary, D. M. Chung, C. M. Gothard, J. K. Huon, W. E. Kemnitzer, T. Khasanova, H. W. Kim, S. Maitra, H. T. Mee, W. A. Russu, K. D. Stigers 11:30—286. New bioactive peptides from Bahamian marine cyanobacteria. M. A. Ernst-Russell, T. F. Molinski

Section Ε Convention Center Room 11B Photochemistry, Atom, and Electron Transfer

R. S. Givens, Presiding 8:00—287. Photocatalytic degradation of methyl-parathion. E. Leyva, E. Moctezuma, E. Monteal, G. Palestino, F. Tristan 8:20—288. Dihydrodioxin photonucleases: Mechanistic aspects of quinone release. A. B. Carle, R. M. Wilson 8:40—289. Ultrafast electron transfer in cofacially aligned, π-stacked aromatic sys tems. Y. K. Kang, I. V. Rubtsov, P. M. lovine, M. J. Therien 9:00—290. On the electronic character of oxygen-transfer reactions. D. V. Deubel 9:20—291. Oxenoid reactivity in the photo chemical deoxygenation of a benzofused sulfoxide. A. Greer, E. Lucien 9:40—292. Photochemistry of 6,6-dimethylbicyclo[3.3.1 ]nonan-3-one: Intramolecu lar hydrogen atom abstraction. E. J. Dix 10:00—293. Phosphorus-tethered intramo lecular photocycloadditions. C. Mao, S. A. Fleming 10:20—294. Bond-shift and charge-transfer dynamics in methylene- and dimethylsilylbridged dicyclooctatetraene dianions. S. W. Staley, R. A. Grimm, P. Boman, B. Eliasson 10:40—295. Photogenerated nitrenium ions: Arene trapping of arylnitrenium ions, a case for π-complex formation. S. P. Mcllroy, D. Chiapperino, D. E. Falvey 11:00—296. Synthesis and electronic prop erties of redox active tetraarylmethanes. T. J. J. Muller, T. J. Zimmermann 11:20—297. Vinylcyclopropane radical cat ion: A computational road to a new syn thetic tool. J. Oxgaard, O. Wiest

TUESDAY AFTERNOON Section A Convention Center Room 6B-C ACS Award for Creative Work in Synthetic Organic Chemistry

A. B. Smith III, Organizer, Presiding 2:00—298. Cellular targets of glycopeptide antibiotics. D. Kahne 2:40—299. Use of complex molecule synthe sis in chemistry and biology. M. D. Shair 3:20—300. Endocyclic reactions: From the mechanism of heteroatom transfers to asymmetric synthesis. P. Beak 4:00—301. Award Address (ACS Award for Creative Work in Synthetic Organic Chem istry, sponsored by Aldrich Chemical Co.). Expanding the chiral pool. Ε. Ν. Jacobsen



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Section Β Convention Center Room 6F Photochemistry Becomes More Complex Cosponsored with Division of Physical Chemistry

4:00—316. Synthesis of S.S-isodityrosine by Dôtz benzannulation. A. Gupta, S. Sen, S. R. Pulley 4:20—317. Mixed aggregation of common organolithium reagents: A gradientselected fully coupled NMR spectroscopy study. I. Keresztes, P. G. Williard

Section D

C. C. Wamser, Presiding 1:30—302. Probing enzymes with photosensitizers linked to substrates. Η. Β. Gray, A. R. Dunn, I. J. Dmochowski, B. R. Crane 2:10—303. Photoreactions studied by stepscan transient IR spectroscopy. D. C. Neckers, M. A. J. Rodgers, A. Federov, E. Danilov 2:50—Intermission. 3:00—304. Photochemical industry becomes complex, too. D. F. Eaton 3:40—305. Laser photochemistry: Twentyfive years toward a fulfilled promise? J. T. Yardley 4:20—306. Leitmotif from the life of a photochemist. E. L. Menger-Hammond 5:00—Concluding Remarks. G. S. Ham mond

Section C Convention Center Room 9 Metal-Mediated Reactions and Syntheses

N. G. Bhat, Presiding 1:00—307. Lewis acid promoted asymmetric conjugate addition of various monoorganocopper reagents to chiral pyrrolidinones and oxazolidinones. M. Bergdahl, R. Anness, J. Dambacher, P. Pollock 1:20—308. New phosphorous ligands affect ing fast and predominant N-selective rhodium-catalyzed hydroformylation of high er internal alkenes. D. Selent, A. Borner 1:40—309. Generation, characterization, and reactivity of chromium arene complex sub stituted propargyl cations. T. J. J. Miiller, A. Netz, M. Ansorge 2:00—310. Activation of C-C bond in coordi nated bicyclo-[3.2.1]-octadiene via agostic cations. A. K. F. Rahman, M. A. Bennett 2:20—311. Recent advances in copperpromoted C-N bond cross-coupling of arylmetalloids and N-H containing sub strates. P. Y. S. Lam, G. Vincent, S. Deudon, K. M. Averill, R. Li, E. Hauptman, D. M. T. Chan, P. DeShong, P. K. Jadhav, C. G. Clark 2:40—312. Synthesis of phosphinic acids by palladium-catalyzed cross-coupling of hypophosphite salts. Y. R. Dumond, J-L. Montchamp 3:00—313. Synthesis of pyridine-containing macrocycles by cobalt-mediated trimerization of triply-bonded reactants. A. F. Moretto, H-C. Zhang, B. E. Maryanoff 3:20—314. Intramolecular nucleophilic addi tion and intramolecular nucleophilic aro matic substitution reactions of areneruthenium(ll) complexes. F. C. Pigge, S. Fang, J. J. Coniglio 3:40—315. Synthesis of diaryl ether deriva tives via benzannulation: Optimization and application. S. Sen, S. R. Pulley

Convention Center Room 7B Process R&D

X. Qian, Presiding 1:30—318. Practical synthesis of pyrazole3,5-dicarboxylates and pyrazolo-diazepins. B. Pipik, R. J. Cvetovich 1:50—319. Efficient stereoselective synthesis of BMS-262084, an azetidinone-based tryptase inhibitor. X. Qian, B. Zheng, M. Saindane, B. Burke, D. R. Kronenthal 2:10—320. Enantioselective synthesis of anti-influenza compound ABT-675. D. A. DeGoey, H-J. Chen, W. J. Flosi, D. J. Grampovnik, C. M. Yeung, L. L. Klein, D. J. Kempf 2:30—321. Microscale synthesis: The total synthesis of distamycin. D. Boger, M. O'Neil-Johnson, S. Wolkenberg, G. Eldridge 2:50—322. Practical and efficient process for the synthesis of the glycoprotein llb/llla antagonist roxifiban (DMP 754). H-Y. Li, P. Ma, T. D. Costello, J. Chung, L. He, F. Jin, P. J. Sheeran, D. J. Meloni, J. A. Pesti, L-H. Zhang, J. Yin, R. Ward, D. J. Norwood, P. N. Cofalone 3:10—323. Process research and development for the HIV-1 nonnucleoside reverse transcriptase inhibitor DPC083. A. H. Davulcu, R. L. Parsons Jr., R. E. Waltermire 3:30—324. Synthesis of a muscarinic receptor (M3) antagonist via a Zn-catalyzed diastereoselective Michael reaction, a selective deoxyfluorination of a ketone, and an ate complex mediated magnesiumbromine exchange reaction. T. Mase, I. N. Houpis, A. Akao, I. Dorziotis, K. Emerson, T. lida, T. Itoh, K. Kamei, S. Kato, Y. Kato, M. Kawasaki, F. Lang, J. Lynch, A. Molina, T. Nemoto, S. Okada, R. Reamer, Z. J. Song, D. Tschaen, T. Wada, D. Zewge, K. Tomimoto, S. Volante, P. J. Reider 3:50—325. Synthesis of a Salbutamol dimer. N. Haddad, Y. Xu, J. A. Baron, Ν. Κ. Yee 4:10—326. Continuous enzymatic process for a practical synthesis of (R)-3-(4fluorophenyl)-2-hydroxypropionic acid. J . Tao, K. McGee 4:30—327. Efficient large-scale synthesis of matrix metalloprotease inhibitor, ABT-518. A. Gupta, D. Hill, S-J. Chang, D. Fernan do, S. Wittenberger, S. King

TUESDAY EVENING Convention Center Sails Pavilion Metal-Mediated Reactions, Physical Organic Chemistry, Photochemistry, and Materials

L. McElwee-White, Organizer, Presiding 8:00-10:00 328. Molecular approach to carbon-sulfur mixed allotropes: Synthesis of C 2 S carbon-sulfur helix. A. Rajca, H. Wang, M. Pink, S. Rajca 329. Photoelectropolymerization of aniline in a nanoparticle T102 solar cell. C. Wam ser, H-S. Kim, G. Yang 330. Reactivity of a cysteinato ligand with singlet oxygen. C. Galvez, D. Ho, A. Azod, R. Ismail, M. Selke 331. Sterically hindered Kemp's triacid ana logs. H. Lujan-Upton, D. Mangar, C. Grosanu

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332. Gradient selected fully coupled NMR spectroscopy: A new and general method for 1 H/7Li chemical shift correlation in or ganolithium aggregates. I. Keresztes, P. G. Williard 333. Synthesis of 2,3-disubstituted pyrroles via 3,/V-dilithio-/V-silylallylamines. M. A. Jacobson, P. G. Williard 334. Theoretical study of face selectivity in the Michael addition of a Grignard reagent with 5-substituted-2-dicyanomethyleneadamantanes. Y-C. Sun, P-F. Wu, l-T. Wang, H-F. Lu, C-F. Yao 335. Organic-vapor-phase deposition of nonstoichiometric charge-transfer salts thin films. V. Adamovich, M. E. Thompson 336. Photophysical properties of some 1-(9anthryl)-2-naphthylethenes and their aza analogs. E. J. Shin, R. Stackow, C. S. Foote 337. Synthesis and characterization of chiroptical switches. J. D. Thoburn, L. B. Aubin, T. M. Wagner, J. P. Parakka, R. R. Schumaker 338. Synthesis of five- and six-membered or ganoboron heterocycles via ring-closing metathesis. X. Fang, A. J. Ashe III, J. W. Kampf 339. Ab initio analysis of lithium dialkylaminoborohydrides. L M. Pratt, S. Mogali, D. Kristen 340. Catalytic hydrogénation of lactic acid: A mechanistic study. D. G. Kovacs, J. E. Jackson, D. J. Miller 341. Computational study of fluoromethyllithium and chloromethyllithium carbenoids. L. M. Pratt, D. G. Truhlar, C. J. Cramer, J. D. Xidos, B. Ramachandran 342. Effects of lithium dialkylamide bases and mixed aggregates on the stereochemistry of ester enolization. L. M. Pratt, G. Bosell, D. Demmons, J. Mitchom, C. William 343. Extent of nucleophilic participation in solvolyses of substrates with α-alkoxy or α-arylthio substituents. D. N. Kevill, M. J. D'Souza, Y. H. Park 344. First anionic oxy retro-ene reaction. M. E. Jung, P. Davidov 345. Novel exchange process in the dipotassium salt of 1,5-dicyclooctatetraenylnaphthalene. S. W. Staley, J. D. Kehlbeck 346. Potential energy surface of the tolylcarbene rearrangement: Experiment and the ory. R. Warmuth, J-L. Kerdelhué 347. Reactivity of halocarbenes in the solid state. C. N. Sanrame, C. P. Suhrada, M. A. Garcia-Garibay 348. Ring strain and antiaromaticity: Reactivity differences between the α-hydrogens of cyclobutanone and benzocyclobutanone. R. W. Nagorski, A. D. DeAtley, J. Drake, R. Cantlin, K. M. Broadas 349. Structural determination of 1,6,6al4trithiapentalene and 1,6-dioxa-6al 4 thiapentalene. J. M. Kuperman, C. L. Perrin, Y-J. Kim 350. Substituent effects in gas-phase substi tutions and eliminations. S. Gronert, L. M. Pratt, S. Mogali 351. Withdrawn. 352. Synthesis, identification, and mecha nism of acid-catalyzed Z/E isomerization of methyl Omethylbenzothiohydroximates. J. E. Johnson, D. K. Canseco, E. J. Clabiorne, D. D. Dolliver, M. A. McAllis ter, J. E. Rowe 353. Thermal reaction of endc-7-d1- and encfo-6-d7-bicyclo[3.2.0]hept-2-ene. P. A. Leber, J. E. Baldwin 354. Torquoselectivity and pseudopericyclicity in the electrocyclic reactions of sub stituted c/s-1,2,4,6-heptatetraenes. Β. Ν. Hietbrink, C. A. Merlic, K. N. Houk 355. Viscosity dependence of product ratios in photocyclization reactions. E. B. Furr, J. Withington, A. R. Zand 356. Fluorenyl dications: Examination of the antiaromaticity of m-substituted diphenylmethylidenefluorene dications. N. S. Mills, A. Rakowitz, M. B. Benish, L. Bebell

357. Computational studies of internal stabi lization of butadienyllithiums and repre sentative 1 -chloro-1 -lithio-2-phenylalkenes. D. J. Nelson, C. N. Brammer 358. DFT calculations on the allenyl Cope re arrangement of syn-7-allenylnorbomene: Comparison with results obtained from CASPT2 calculations. J. A. Duncan, M. C. Spong 359. Fluorenyl dications: Redox potentials in conjunction with NICS as a measure of antiaromaticity. N. S. Mills, M. B. Benish, C. Ybarra 360. Metal-manipulated cyclobutene ringopening reactions. D. J. Tantillo, R. Hoff mann 361. Corannulene: Structure/energy correla tions. T. J. Seiders, K. K. Baldridge, J. S. Siegel 362. Convergent syntheses of Λ/,/v-dialkyl-phydroxylcinnamide dendrimers. R. S. Majerle, G. Lu 363. Donor-acceptor linked photoacid gener ators for microfabrication applications. W. Zhou, S. M. Kuebler, S. R. Marder, J. W. Perry 364. Photochemistry of 2'-(4-pentenyl)acetophenone: An example of intramolecular [2+2] ortho photocycloaddition of double bonds to benzene rings. A. R. Zand 365. Photostitches: Design, synthesis, and investigation of new protein cross-linking agents. R. S. Givens, G. T. Timberlake, J. F. W. Weber, P. G. Conrad II, S. Amslinger, R. Herpel 366. Toward the synthesis of dendritic watersoluble two-photon dyes. C. A. Kernag, L. M. Dollinger, D. V. McGrath, S. R. Marder 367. Metallocene molecular gears: Synthesis and analysis by NMR spectroscopy. C. J. Richards, D. C. D. Butler 368. Functionalization of thermally stable NLO chromophores. W. A. Feld, I. J. Kuhr, J. R. Sawyer, M. J. Matuszewski, R. Kannan, L-S. Tan, S. J. Clarson 369. Synthesis of derivatized phenylene vinylene acids: A calcium-dependent switch. H. A. Berger, G. Ν. Tew, S. I. Stupp 370. Withdrawn. 371. Withdrawn. 372.Preparationofspiro-substituted[1.1.1]propellane monomers. E. M. Sanford, J. R. Koeppe, J. J. Petkus 373. Syntheses of small-molecule and den dritic azobenzene. O. F. Villavicencio, D. V. McGrath 374. Synthesis and polymerization of alkylaminothiphenes. S. D. Rothstein, K. R. Radke, S. C. Rasmussen 375. Synthesis of 1 -borahomoadamantane-DMSO from 1-boraadamantaneTHF, and the generation of regular star polymethylene polymers by the polyhomologation reaction. C. E. Wagner, K. J. Shea 376. Too much of a good thing? Signal mod ulation of acridinium-9-carboxamide la bels. K. Shreder, M. Adamczyk, Y-Y. Chen, J. R. Fishpaugh, P. G. Mattingly, J. A. Moore, Y. Pan, Z. Yu 377. Synthesis of molecularly imprinted poly mer membranes and their application to the selective transport of targeted mole cules. X. Zhou, K. J. Shea 378. Synthesis of multivalent carbonate es ters by divergent growth of branched car bamates. D. S. Jones, M. E. Tedder, C. A. Gamino, J. R. Hammaker, H-T. Ton-Nu 379. Rational synthesis of cyclic hexameric porphyrin arrays for studies of selfassembling light-harvesting systems. L. Yu, J. S. Lindsey 380. Synthesis of oxo-cephalotaxine analogs applying two palladium-catalyzed transfor mations. P. L. Steck, M. Wohrmann, L. F. Tietze 381. Synthesis of tetrahydrocarbazoles. B. C. Sôderberg, T. L. Scott 382. Unusual regioselectivity in the Pdcatalyzed allylic substitution of 5-vinyloxazolidinones. G. R. Cook, H. Yu, S. Sankaranarayanan, P. Sathyashanker

M Materials "^T Medicinal & Pharmaceutical •


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