final program - C&EN Global Enterprise - ACS Publications - American

New Orleans final program American Chemical Society | 218th National Meeting August 22-26,1999

final

program

New Orleans t the national meeting in New OrAmerican Chemical Societv leans, 29 of the society's techni218th National Meetma cal divisions, three secretariats, August 22-26,1999 and three committees will participate in more than 650 technical sessions. More than 5,600 papers will be presented. Seven areas of concentrated program- The third event is an early-evening reming have been identified for this meet- ception and program celebrating the ing. In the technical program that be- 25th anniversary of the Younger Chemgins on page 62, symposia that fall with- ists Committee. in these themes are identified by a Two Nobel Laureates in Chemistry symbol that immediately precedes the will be memorialized at special events session title. A symbol key appears at this meeting. Glenn Seaborg's life and accomplishments will be recalled throughout the program. Three ACS presidential events will be by a video presentation on Monday held on Sunday. How food chemistry is evening. Sir Derek Barton's contribuimproving human lives is the topic of a tions to organic chemistry will be the symposium that will be held in the topic of a symposium on Sunday. Special events include thefirstannual morning, and the discovery and development of self-assembled materials is ChemLuminary Awards—a program that the focus of an afternoon symposium. incorporates the former Phoenix Awards and local section recognition awards—to honor volunteer members on Tuesday evening. Sci-Mix—an interdivisional Meeting info poster session and mixer—will be held on the web Monday evening. Information about the ACS national The exposition will be open Monday meeting in New Orleans is available through Wednesday, with more than on the ACS meetings home page at 240 companies exhibiting a wide range http://www.acs.org/meetings. of products and services of interest to the chemical community.

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6 0 JULY 26, 1999 C&EN

Classification of registrant

On-site fee

MEMBER ACS member or national $280 affiliate 125 Member emeritus/retired Student member or affiliate, 25 less than postdoctoral status 25 Precollege teacher 50-year member No fee Unemployed (NECH waiver) No fee VISITOR Non-U.S. resident or nonchemical scientist or chemical technician Guest of registrant NONMEMBER Chemical scientist eligible for membership in the society who is a U.S. resident Student, less than postdoctoral status Precollege teacher ONE-DAY SESSION Member or nonmember EXPOSITION ONLY Adult Student

280

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410

25 25 145

35 10

Changes and additions to scheduled activities

New Orleans REGISTRATION The deadline for advance registration for the New Orleans meeting was July 23. On-site registration facilities will be located in the convention center. The hours for registration will be Saturday, Aug. 21,3 to 6 PM; Sunday, Aug. 22, 7:30 AM to 7 PM; Monday, Aug. 23, and Tuesday, Aug. 24, 7:30 AM to 5 PM; Wednesday, Aug. 25, 7:30 AM to 4 PM; and Thursday, Aug. 26, 7:30 to 10:30 AM. Badge cases and booklet programs will be available in the registration area.

SOCIAL EVENTS Social Hour, 6 PM ACS Alumni Hour, Le Méridien, Ile de France Social Hour, 6:30 PM 1-2. COD Division of Chemical Education, 75th Anniversa- Additional participant: ry Celebration, Monteleone, Riverview. COD University of Michigan, Ann Arbor Dinners, 7:30 PM Dinner, 6:30 PM 101 Divisional Officers Group, Murder Mystery, Marriott, La Galerie 6. $49 117 Division of Analytical Chemistry, Olivier's Creole Restaurant, 204 Decatur St. $36 102 Division of Chemical Education, 75th Anniversary Celebration, Monteleone, Riverview. $40 Tuesday, Aug. 24 (Tickets may also be purchased by contacting Tom Wildeman at [email protected]) Social Hour, 7 PM Division of Computers in Chemistry Poster SesSunday, Aug. 22 sion, Marriott, Exhibit Hall. COD Luncheon, 12:15 PM 103 Division of Chemical Education, High Note: Social event tickets will be available onSchool/College Interface, Doubletree, Interna- site in the registration area located in the conventional Ballroom. $12 tion center. Tour tickets will be available on-site (Tickets may also be purchased by contacting in the ACS Hospitality Center located in the convention center. Tom Wildeman at [email protected])

Saturday, Aug. 21

Social Hour, 6 PM Division of Organic Chemistry Poster Session, Hilton Riverside, Salon C/D. NT

New Orleans TRANSPORTATION Air Transportation. The ACS Meetings Department has entered into an agreement with Association Travel Concepts (ATC) to facilitate travel arrangements for attendees to ACS meetings. ATC is a travel agency that works exclusively with the association market. In addition to providing 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, call ATC at (800) 458-9383. As always, you may use your own travel agent or contact the airline of your choice directly.

Housing update Housing information is available on the Internet at http://www.acs.or^ meetings or via fax by calling (877) 2 2 7 - 0 5 0 5 within the U.S., Canada, or Mexico. A recording will prompt you to a fax-on-demand service and then to provide your fax number, telephone number, and a document number. Use document No. 2 0 2 0 to request hotel information. This information will be faxed to the attention of your telephone number. Reservations m u s t be made on your own; suggestions will be offered via the Internet and fax-on-demand service.

WORKSHOPS

"Writing Excellent Research ProSocial Hour, 7 PM posals" is the title of the workshop Division of Analytical Chemistry Poster Session, described on page 8 6 of the prelimMarriott, Carondelet. NT inary program (C&EN, June 2 1 ) with the title 'Writing Excellent ReMonday, Aug. 23 search Papers." Social Hour, 5:30 PM Division of Analytical Chemistry, Olivier's Creole Restaurant, 204 Decatur St. COD ACTIVITY The New Orleans Saints have a home Receptions, 6 PM Division of Small Chemical Business, Le Méridi- game against the Indianapolis Colts en, Rosalie. NT on Saturday, Aug. 2 1 . Anyone interTetrahedron Prize Symposium sponsored by the ested in obtaining tickets should conDivision of Organic Chemistry and Elsevier Sci- tact TicketMaster at ( 5 0 4 ) 5 9 8 ence, Omni Royal Orleans Hotel, Royal Garden GOLD or visit the web site at www. (Terrace and Courtyard), 621 St. Louis St. NT ticketmaster.com.

American Airlines, Delta Air Lines, and US Airways have been selected as the official cocarriers for this meeting. All three carriers offer: • Special domestic fares that are less than the unrestricted fares and do not require a Saturday night stay. • 5% off any applicable published domestic excursion fares (10% off if purchased 60 days or more before travel—special conditions apply). • 10% off unrestricted coach fares (15% off if purchased 60 days or more before travel— special conditions apply). To make your reservations, or for more information, call ATC or contact the airlines directly: American, (800) 433-1790 File No. 1 0 0 7 9 Delta, (800) 241-6760 File No. 104395A

US Airways, (800) 334-8644 File No. 3 2 1 3 0 3 7 5 Auto Rentals. Hertz and Avis are offering discounts to members who rent the week before, during, and/or the week after the meeting. Each has a special ID number and phone number to call for these rates: Hertz (800) 654-2200 No. 0 8 3 8 5 5 Avis (800) 331-1212 No. B 1 2 0 7 0 0 In addition to the special rates for national meetings, ACS offers members discounts yearround on auto rentals from Hertz and Avis. If you would like convenient, wallet-sized ID cards that list the 800 number and your member ID number for these companies, stop by the Member Resource Center, located in the main lobby of the convention center near the registration area, or at the Membership Booth (No. 636) in the exposition. JULY 26, 1999 C&EN 6 1

PRES/SOCED/WCC/YCC/CATL/MACR/TECHNICAL PROGRAM

SUNDAY MORNING

PRES

wcc

SOCED

* Chemistry and Physiology of Food Colors cosponsored with Division of Agricultural & Food Chemistry (see page 64) SUNDAY AFTERNOON

PRESIDENTIAL EVENTS E. Wasserman, ACS President

SOCIETY COMMITTEE ON EDUCATION

WOMEN CHEMISTS COMMITTEE

K. O'Shea, Program Chair

F. K. Wood-Black, Program Chair

* Chemistry and Physiology of Food Colors cosponsored with Division of Agricultural & Food Chemistry (see page 64) Synthetic Organic Chemistry for the 21st Century cosponsored with Division of Organic Chemistry (see page 113)

SUNDAY MORNING MONDAY MORNING

Convention Center Room R01 Promise of Food: How Food Chemistry is Improving Our Lives J. W. Finley, S. P. Shoemaker, Organizers, Presiding Cosponsored with Division of Agricultural & Food Chemistry 8:30—1. Overview of food in the next millen nium. S. P. Shoemaker 9:00—2. Chemistry and our food. J. N. BeMiller 9:30—3. Functional foods: A logical marriage of molecular nutrition and food chemistry. J. B. German 10:00—4. Influence of biotechnology on food chemistry in the next century. J. W. Finley 10:30—Intermission. 10:40—5. Nutritional consequences of nutri tional advice. P. E. Bowen, C. Carroll 11:10—6. Influence of flavor and packaging on foods in the next millennium. S. J. Risch 11:40—7. Chef's view of food and how chem istry impacts the pleasure of eating. J. J. Cousminer SUNDAY AFTERNOON Convention Center Room R01

SOCIAL EVENTS: Social Hour, Sat Reception, Mon

SOCIAL EVENTS: Breakfast, Mon Luncheon, Tue

SUNDAY MORNING

SUNDAY AFTERNOON

Marriott La Galerie 6


Forensic Science Cosponsored with Division of Chemical Education and Division of Environmental Chemistry

Memories and Legacy of Anna Harrison F. K. Wood-Black, Organizer, Presiding

Visions of Materials Ν. Β. Jackson, Organizer, Presiding

D. M. Bunce, Organizer, Presiding

2:00—Introductory Remarks. 2:10—8. New forms of matter: Hopes and il lusions. P. G. de Gennes 2:55—9. New round world of carbon-sheet materials. H. W. Kroto, N. Grobert, J. Hare, W. K. Hsu, D. Walton, J. P. Zhang, A. Cheetham, H. Terroues 3:40—10. Morphological control of soft mate rials using block copolymers: From melts to micelles. F. S. Bates 4:25—11. New directions in sol-gel process ing: Evaporation-induced self-assembly of porous and composite media. C. J. Brinker 5:10—12. Materials research and the Nation al Science Foundation. R. A. Eisenstein

5:30—4. Chemistry survival guide: Learning how to learn chemistry. D. M. Bunce MONDAY MORNING Marriott La Galerie 6 Green Chemistry Cosponsored with Division of Chemical Education and Division of Environmental Chemistry

Is the Glass Ceiling Still There? Women in Chemistry cosponsored with Division of Professional Relations (see page 141)

MONDAY AFTERNOON

S. Nandi, D. Tabor, Presiding 9:00-11:30—Panel Discussion. D. S. Hodgins, D. H. Jaffer, L-H. McLeland, H. M. Peters, C. Sullivan, D. C. Tabor, B. G. R. Trecio * Chemistry and Physiology of Food Colors cosponsored with Division of Agricultural & Food Chemistry (see page 65) Synthetic Organic Chemistry for the 21st Century cosponsored with Division of Organic Chemistry (see page 115) MONDAY AFTERNOON Alternative Careers in Chemistry cosponsored with Division of Chemical Information (see page 80) Career Opportunities in Analytical Chemistry cosponsored with Division of Analytical Chemistry (see page 71)

MONDAY EVENING

Is the Glass Ceiling Still There? Women in Chemistry cosponsored with Division of Professional Relations (see page 141)

Sci-Mix cosponsored with Division of Industrial & Engineering Chemistry (see page 96)

Issues Facing Women Professionals cosponsored with Division of Industrial & Engineering Chemistry (see page 96)

TUESDAY MORNING

MONDAY EVENING

Issues Facing Women Professionals cosponsored with Division of Industrial & Engineering Chemistry (see page 96)

Sci-Mix cosponsored with Division of Industrial & Engineering Chemistry (see page 96) TUESDAY MORNING

K. O'Shea, Organizer, Presiding 9:00—5. Green chemistry: A new approach to pollution prevention. T. C. Williamson, P. T. Anatas 9:40—6. Green chemistry: Examples in academia, government, and industry. M. M. Kirchhoff, T. C. Williamson 10:20—7. Green chemistry: Interdisciplinary research, environmental realities, and the economic bottom line at the frontiers of science. J. C. Warner

Patent Research Survival Skills: The ACS, Member Resources, and You Cosponsored with Division of Chemistry & The Law S. Nandi, D. Harwell, D. Tabor, Organizers

2:00—Introductory Remarks. K. O'Shea, Organizer, Presiding 2:15—1. Anna Jane Harrison: A trailblazer for women scientists. N. M. Roscher 10:30—1. Where chemistry and crime col 2:45—2. Forty years with Anna J. Harrison: lide. K. D. Colomb An affectionate memoir. E. S. Weaver 11:10—2. Analysis of short-tandem repeats of DNA by capillary. K. L. Cross, A. W. 3:15—3. Miss Harrison: Recollections of a T.A. at Mount Holyoke. M. A. Solstad Young 3:45—4. Reflections on working with Anna J. 11:50—3. Science of homicide: Applications Harrison for 37 years. K. L. Williamson of forensic science to the crime scene. G. Schiro MONDAY AFTERNOON SUNDAY EVENING Issues Facing Women Professionals Marriott cosponsored with Division of Industrial & La Galerie 6 Engineering Chemistry (see page 96) Chemistry Survival Guide Cosponsored with Division of Chemical Education


YCC YOUNGER CHEMISTS COMMITTEE V. E. Vandell, Program Chair


Safety Issues in the Workplace cosponsored with Division of Chemical Technicians (see page 81) Creating Young Nuclear Chemists cosponsored with Division of Nuclear Chemistry & Technology (see page 112) • Bridging the Gap: Theoretical Chemistry to Drug Design cosponsored with Division of Computers in Chemistry (see page 86) Issues Facing Women Professionals cosponsored with Division of Industrial & Engineering Chemistry (see page 96)

Eminent Scientist Lecture

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AGRICULTURAL CHEMISTRY CATALYSIS CHEMISTRY & COMPUTERS

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ENVIRONMENTAL ISSUES

M

MATERIALS

•

PETROCHEMICALS

•

PHARMACEUTICALS, MEDICINE & BIOLOGICAL CHEMISTRY

6 2 JULY 26, 1999 C&EN

K. O'Shea, Organizer, Presiding

OTHER SYMPOSIA OF INTEREST;

4:30—8. Heeding the IMP of the perverse: An intellectual odyssey. G. A. Crosby

Enhancing Intellectual Property Rights in a Chemical Company (see Division of Chemistry & The Law, Sun, page 81)

MONDAY EVENING Sci-Mix cosponsored with Division of Chemical Education (see page 76)

Protecting and Commercializing Biotechnology Inventions (see Division of Chemistry & The Law, Mon, page 81) SOCIAL EVENT: Reception, Sun The Committee on Meetings & Expositions requests that there be no smoking in meeting rooms or committee meetings

TUESDAY AFTERNOON

MONDAY AFTERNOON

TUESDAY AFTERNOON


Hilton Riverside Grand Salon B7, 1st Floor


M Polymeric Materials in Separations High-Flux Polymers

M Polymeric Materials in Separations Advanced Materials and Methods

Cosponsored with Cellulose, Paper & Textile Division, Division of Polymeric Materials: Science & Engineering, and Division of Polymer Chemistry

Cosponsored with Cellulose, Paper & Textile Division, Division of Polymeric Materials: Science & Engineering, and Division of Polymer Chemistry

I. Pinnau, Presiding

S. S. Kelley, Presiding

1:30—13. Influence of physical aging and methanol conditioning on gas permeability and hydrocarbon solubility of poly[1-phenyl-2-[p-(triisopropylsilyl)phenyl]acetylene] (PTPSDPA). K. Nagai, L. G. Toy, B. D. Freeman, M. Teraguchi, T. Matsuda 2:00—14. Study on pervaporation and sorption of 1-butanol aqueous solutions and fermentation mixtures using poly(1 trimethylsilyl-1-propyne) membranes. Y. A. Selinskaya, M. D. Akhmetov, V. S. Khotimsky, V. V. Volkov, A. G. Fadeev, M. M. Meagher, S. S. Kelley 2:30—15. Relaxation, compaction, fouling, and regeneration of poly(1-trimethylsilyl-1 propyne) in n-butanol recovery. A. G. Fadeev, M. M. Meagher, V. V. Volkov, S. S. Kelley 3:00—Intermission. 3:15—16. Gas permeability properties of poly[[1,1 '-biphenyi]-4,4'-diyl[2,2,2-tnf luoro1-(trifluoromethyl)ethylidene]]. V. Sheares, P. Havelka, K. Nagai, B. D. Freeman 3:45—17. Atomistic simulation of gas transport in polybutoxyphosphazenes. P. Ren, J. R. Fried 4:15—18. Asymmetric gas separation membranes based on Teflon AF and poly(pxylylene). H. J. Hayes, T. J. McCarthy

1:30—25. New porous polymer monoliths with enhanced properties: Supports for rapid and efficient separations. F. Svec, J. M. J. Fréchet 2:00—26. Combinatorial approach to chiral stationary phases for H PLC separation of prostaglandins. J. M. J. Fréchet, D. F. Wulff, V. Lu, F. Svec 2:30—27. Polyelectrolyte multilayer coatings for capillary zone electrophoresis. J. B. Schlenoff, T. W. Graul, P. B. Howell 3:00—Intermission. 3:15—28. Chromatographic characterization of molecularly imprinted polymers for nitroaromatics. L. Luo, P. F. Britt, A. C. Buchanan III, D. O. Desai, R. D. Makote 3:45—29. Pseudocrown ethers as fixed-site carriers in facilitated transport membranes. B. Elliott, W. B. Willis, C. N. Bowman 4:15—30. Metal-ion interaction via the hostguest properties of the open-ring benzoxazines assembly. S. Chirachanchai, A. Laobuthee, P. Techakamolsuk, H. Ishida

Biotechnology and Society in the New Millennium Cosponsored with Division of Carbohydrate Chemistry, Cellulose, Paper & Textile Division, Division of Medicinal Chemistry, and Division of Small Chemical Businesses

S. V. Vercellotti, Organizer, Presiding 1:00—Introductory Remarks. 1:05—1. Programs that promote biotechnol ogy development. C. E. Hamner 1:40—2. Brain genes, drug discovery, and biotechnology. N. G. Bazan 2:15—Intermission. 2:25—3. Professors as biotech entrepre neurs and alternative careers in biotech. T. D. Wilkins 3:00—4. Toward a predictive biology. R. Brent 3:35—Discussion. Environmental Chemistry Awards cosponsored with Division of Environmental Chemistry (see page 90) Creating Young Nuclear Chemists cosponsored with Division of Nuclear Chemistry & Technology (see page 112) • Bridging the Gap: Theoretical Chemistry to Drug Design cosponsored with Division of Computers in Chemistry (see page 86)

WEDNESDAY MORNING • Bridging the Gap: Theoretical Chemistry to Drug Design cosponsored with Division of Computers in Chemistry (see page 87) Special Topics: Younger Contributors to Polymer Materials Science cosponsored with Division of Polymeric Materials: Science & Engineering (see page 139)

WEDNESDAY AFTERNOON • Bridging the Gap: Theoretical Chemistry to Drug Design cosponsored with Division of Computers in Chemistry (see page 88) Technical Achievements in Organic Chemistry Awards cosponsored with Division of Organic Chemistry (see page 118)

MACR MACROMOLECULAR SECRETARIAT S. Kelley, Secretary General SUNDAY AFTERNOON Hilton Riverside Grand Salon B7, 1st Floor M Polymeric Materials in Separations Polymers from Natural Sources Cosponsored with Cellulose, Paper & Textile Division, Division of Polymeric Materials: Science & Engineering, and Division of Polymer Chemistry

B. Freeman, S. Kelley, Organizers B. Freeman, Presiding 1:25—Introductory Remarks. 1:30—1. Effect of cross-linking on compac tion and performance of cellulose acetate membranes during high-pressure gas sep aration. V. Reinsch, A. Greenberg, S. S. Kelley, W. Krantz 2:00—2. High-performance design of cellu lose ester-based membranes for alcohol/ ether separations by pervaporation. D. G. Roizard, T. Q. Nguyen, C. Léger, I. Noesar 2:30—3. Structure and properties of hydrogel beads from chitosan. J. G. Todd, W. G. Glasser 3:00—Intermission. 3:15—4. Dehydration from aqueous alcohol solutions by cross-linked quatemized chitosan membranes in evapomeation. T. Uragami, S. Yamamoto, T. Miyata 3:45—5. Polylactides: Rheological and permeation properties of a new class of plastic packaging from renewable resources. J. Dorgan, H. Lehermeier, M. Mang 4:15—6. Comparison study of water diffusion in petrochemical and "green" polymers: Between segmented polyetherurethanes and polyalkanoates. A. L. lordanskii, P. P. Kamaev, U. J. Hanggi

MONDAY MORNING Hilton Riverside Grand Salon B7, 1st Floor

CATL CATALYSIS & SURFACE SCIENCE SECRETARIAT J. Reynolds, Secretary General TUESDAY AFTERNOON Convention Center Room 213 General Session

N. B. Jackson, M. M. Bhasin, Organizers Ν. Β. Jackson, Presiding 2:00—Introductory Remarks. 2:05—1. High-throughput screening of com binatorial heterogeneous catalyst libraries. P. Cong, Y. Liu, R. Doolen, Q. Fan, D. Giaquinta, H. Weinberg 2:30—2. Alcohols synthesis from syngas over K2CO3/C0S/M0S2 on activated-car bon. J. Iranmahboob, D. O. Hill 2:55—3. Catalytic heteroatom oxidation us ing titanium silicalite TS-1. L J. Davies, G. J. Hutchings, D. Bethell, P. C. B. Page, D. Willock 3:20—4. Deuteration of indole and 1-methylindole by Raney nickel catalysis. W-M. Yau, K. Gawrisch

M Polymeric Materials in Separations High-Flux Polymers Cosponsored with Cellulose, Paper & Textile Division, Division of Polymeric Materials: Science & Engineering, and Division of Polymer Chemistry

S. S. Kelley, Presiding 8:30—7. Microheterogeneity and free-volume structure of poly(1 -trimethylsilyl-1 -propyne). V. V. Volkov, M. M. Gokzhaev, A. 0. Malakhov, R. V. Samokhvalov, S. S. Kelley 9:00—8. Hydrocarbon and perfluorocarbon sorption, diffusion, and permeation in poly(1-trimethylsilyl-1-propyne). B. D. Freeman, T. Merkel, V. Bondar, K. Nagai 9:30—9. Molecular simulation of alkane permeability of poly[1-(trimethylsilyl)-1propyne]. T. Zheng, J. R. Fried 10:00—Intermission. 10:15—10. Free-volume dynamics and physical aging of high-permeability membrane polymers. A. J. Hill, K. Nagai, B. D. Freeman 10:45—11. Gas permeability of cross-linked poly[(1 -trimethylsilyl-1 -propyne)-co-(1 -(4azidobutyldimethylsilyl)-1 -propyne)] membranes. G. L. Baker, C. J. Ruud, J. Jia 11:15—12. Gas permeation properties of poly(alkyl acetylenes). A. Morisato, Z. He, 1. Pinnau

TUESDAY MORNING Hilton Riverside Grand Salon B7, 1st Floor M Polymeric Materials in Separations Advanced Materials and Methods Cosponsored with Cellulose, Paper & Textile Division, Division of Polymeric Materials: Science & Engineering, and Division of Polymer Chemistry

M. M. Meagher, Presiding 8:30—19. Chemically tailored phosphazene polymers for water separations applications: Synthesis, characterization, and membrane formation. F. F. Stewart, M. K. Harrup, E. S. Peterson, M. L. Stone, C. J. Orme, L. A. Poison 9:00—20. Studies of the transport behavior of water and alcohols in Nafion. D. Rivin, C. E. Kendrick, P. W. Gibson, N. S. Schneider 9:30—21. Silane-modified polyvinyl chloride) pervaporation membranes. M. S. Silverstein, A. Sluszny, M. Narkis 10:00—Intermission. 10:15—22. Diffusion of water/acetone mixture in poly(propylene) from FTIR-ATR spectroscopy. X. Yi, J. Pellegrino 10:45—23. Characterization of photoresist outgassing using vapor-phase FTIR. D. R. Medeiros, W. M. Moreau 11:15—24. Influence of polymer structure on recovery of proteins in two-phase aqueous systems. S. Asrof Ali, E. Z. Hamad, B. F. Abu-Sharkh

TUESDAY EVENING Convention Center Exhibit Hall A Polymeric Materials in Separations Posters

S. S. Kelley, B. D. Freeman, Presiding 6:00-8:00 31. Chiral separations using ordered mesoporous polymers made from colloidal silica templates. T. E. Mallouk, G. L. Egan, S. A. Johnson, P. J. Ollivier, J. T. Lean 32. Prediction of penetrant permeability through fixed-site carrier membranes using the RC circuit model and sensitivity analysis. S. U. Hong, J. Won, H. C. Park, Y. S. Kang 33. Enhanced production of CEA associated with some chemicals in a culture of CW-2 cells on some polymeric membranes prepared by Langmuir-Blodgett and casting methods. S. Uchiyama, M. Hara, A. Higuchi 34. Preparation and characterization of surface-modified polyacrylonitrile and polysulfone hollow fibers. K. Shirano, M. Hara, A. Higuchi 35. Preparation and characterization of surface-modified polyacrylonitrile hollow fibers: Optical resolution of amino acids. H. Yomogita, K. Shirano, M. Hara, A. Higuchi 36. Optimization of the use of polyelectrolytes for dewatering harbour sediments in an industrial plant. W. M. Kulicke, O. Krentz, G. Oelmeyer, A. von Homeyer 37. Rejection of DNA from globulin solution by microfiltration membranes. K. Hirano, M. Hara, M. Yokogi, S-I. Manabe, A. Higuchi 38. Effect of chain-end segregation on the mobility of thin films. P. Doruker, W. Mattice

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

JULY 26, 1999 C&EN 6 3

MTLS/AGFD/TECHNICAL PROGRAM

TUESDAY MORNING

MTLS MATERIALS CHEMISTRY SECRETARIAT D. Perry, Secretary General SUNDAY MORNING Distance Learning in Chemistry cosponsored with Division of Chemical Education (see page 75)

SUNDAY AFTERNOON Distance Learning in Chemistry cosponsored with Division of Chemical Education (see page 75) Tutorial on Recent Developments in Fullerene Chemistry cosponsored with Division of Chemical Education (see page 75)

MONDAY MORNING M Fullerenes cosponsored with Division of Organic Chemistry (see page 115)

Convention Center Room R01 Chemistry of Fullerenes and Related Carbon Nanostructures Carbon Nanotubes

WEDNESDAY AFTERNOON

Cosponsored with Division of Organic Chemistry and Division of Polymer Chemistry

Chemistry of Fullerenes and Related Carbon Nanostructures Fullerene-Containing Polymers

A. L. Smith, R. C. Haddon, Organizers R. C. Haddon, Presiding 9:00—9a. Growth and structure of fullerenes. Y. Achiba 9:30—10. Chemistry of carbon nanotubes. R. C. Haddon 10:00—11. Carbon and boron nitride nanotubes and kinky chemistry. R. S. Ruoff, K. Ausman, O. Lourie, X. Lu, M. Yu, R. Piner, H. Rohrs 10:30—12. Novel properties of nanotubes and "lower" fullerenes. A. Zettl 11:00—Intermission. 11:15—13. Dynamics of hydrogen in singlewalled nanotubes. C. M. Brown, T. Yildirim, D. Neumann 11:35—14. Sidewall functionalization of single-wall nanotubes. N. J. Halas, I. Chiang, C. Radloff, K. F. Kelly, R. H. Hauge, J. L. Margrave, X. Wang, G. E. Scuseria

TUESDAY AFTERNOON

Distance Learning in Chemistry cosponsored with Division of Chemical Education (see page 75)

Convention Center Room R01

MONDAY AFTERNOON

Chemistry of Fullerenes and Related Carbon Nanostructures Photophysical and Electrochemical Properties: Organic Functionalization

M Fullerenes cosponsored with Division of Organic Chemistry (see page 116)

MONDAY EVENING Convention Center Exhibit Hall A Sci-Mix Chemistry of Fullerenes and Related Carbon Nanostructures

A. L Smith, R. C. Haddon, D. M. Guldi, Y-P. Sun, Organizers A. L. Smith, Presiding 8:00-10:30 1. Synthesis of C60-end-bonded polymers with narrow molecular weight polydispersity via atom-transfer radical polymerization. P. Zhou, G-Q. Chen, H. Hong, F-S. Du, Z-C. Li, F-M. Li 2. Driving-force and electronic-coupling effects on the dynamics of photoinduced electron transfer in a fullerene-based molecular triad. J. L. Bahr, D. Kuciauskas, P. A. Liddell, T. A. Moore, A. L. Moore, D. Gust 3. Synthesis and photophysical properties of porphyrin-fullerene hybrids. S. A. MacMahon, S. R. Wilson, D. I. Schuster 4. Fullerene-tetrazine Diels-Alder adducts: Formation, characterization, and regioselective hydrogénation. G. P. Miller, M. C. Tetreau, C. A. Risatti 5. Electrochemical study of covalently linked porphyrin-fullerene dyads and dendritic fullerenes. S. Pyo, L. Echegoyen, E. Dietel, X. Camps, A. Hirsch, P. Cheng, D. I. Schuster 6. Synthesis of "fluorous" fullerene adducts: Reversible solubilization of fullerenes in perfluorinated solvents. S. R. Wilson, M. E. Yurchenko, D. I. Schuster, A. Khong, M. Saunders 7. Unusual thermal stability of diazafullerene. H. Kuzmany, C. Jogl, M. Krause, N. Tagmatarichs, K. Prassides 8. Kinetic studies of fullerene exchange reactions involving platinum complexes of C7o, C76, and Ce4- C. J. Smart 9. Cation radical formation of pyrrolidinofullerenes by photoinduced electron transfer. L. Chuping, G. Dirk, I. Osama

6 4 JULY 26, 1999 C&EN

10:30—Intermission. 10:45—25. Small-band-gap fullerenes and their solubility. J. M. Alford, M. D. Diener

Convention Center Room 227


A. L. Smith, Y-P. Sun, Organizers Y-P. Sun, Presiding 1:30—26. Highly water-soluble pendant fullerene polymers. Y-P. Sun, G. E. Lawson, W. Huang 2:00—27. Mechanisms of copolymerization of methyl methacrylate and of styrene with C 60 initiated by azobis(isobutyronitrile). W. T. Ford, T. Nishioka, S. McCleskey, T. J. Mourey 2:30—28. C60-end-capped poly(ethylene oxide): Synthesis, characterization, and miscibility with poly(p-vinylphenol). S. H. Goh, X. D. Huang, S. Y. Lee 3:00—Intermission. 3:15—29. Synthesis and optical properties of fullerene-acetylene copolymers. Β. Ζ. Tang 3:45—30. Synthesis of starburst oligoanilines using C 60 as a molecular core. L. Y. Chiang, V. Anantharaj, L. Y. Wang 4:15—31. Toward metallo-supramolecular fullerene assemblies and polymers: Syn thesis of bucky ligands based on terpyridine units. U. S. Schubert, Ο Η. Weidl, A. Cattani, C. Eschbaumer, G. R. Newkome, E. He, E. Harth, K. Mullen

1:30—15. Electrochemistry of multiwalled carbon nanotubes and their use as ultramicroelectrodes. J. K. Campbell, L. Sun, R. M. Crooks 2:00—16. Materials applications of carbon nanotubes: Hydrogen storage and polymer composites. S-J. V. Frankland, D. W. Brenner 2:25—17. Fullerenes as photosynthesis mimics. D. Gust, T. A. Moore, A. L. Moore 2:55—18. Efficient charge separation in noncovalently linked, dynamic fullerene porphyrin dyads. D. M. Guldi, M. Prato, T. Da Ros 3:10—Intermission. 3:40—19. Langmuir-Blodgett films of native and derivatized C60, and superconducting LB films of potassium-doped C60. R. M. Metzger 4:10—20. Organofullerenes: Electrosynthesis and characterization. K. M. Kadish, X. Gao, E. Van Caemelbecke 4:35—21. [60]Fullerene carbocations and their reactions. P. R. Birkett, A. G. Avent

WEDNESDAY MORNING Convention Center Room 227 Chemistry of Fullerenes and Related Carbon Nanostructures Endohedrals, Solubility, Polymers Cosponsored with Division of Organic Chemistry and Division of Polymer Chemistry

A. L Smith, D. M. Guldi, Y-P. Sun, Organizers D. M. Guldi, Presiding 9:00—22. Bisfullerene adducts of linear acenes. G. P. Miller, J. Mack 9:30—23. ScxEr3.xN@C80: A new family of trimetallic nitride clusters encapsulated in icosahedron cages. H. C. Dorn, G. Rice, P. Burbank, J. Craft, Z. Sun, T. Glass, K. Harich, F. Cromer, M. R. Jordan, E. Hadju, R. Bible, M. Anderson, S. Stevenson 10:00—24. Solubility of the fullerenes. A. L. Smith, M. V. Korobov

Section Β Convention Center Room 215 * Chemistry and Physiology of Food Colors Cosponsored with Younger Chemists Committee

J. M. Ames, T. Hofmann, Organizers, Presiding 8:45—Introductory Remarks. 9:00—6. Colors in foods and beverages. J. M. Ames, T. Hofmann 9:45—7. Application of countercurrent chro matography to the separation of plantderived food colors. P. Winterhalter, A. Degenhardt, U. Engelhardt, C. Lakenbrink 10:15—Intermission. 10:30—8. Physical aspects of color in foods. P. Joshi 11:00—9. Isolation and structure elucidation of carotenoids from foods. A. Z. Mercadante 11:30—10. Carotenoids from annatto: Com position, properties, and application. A. Z. Mercadante Promise of Food cosponsored Presidential Event (see page 62)

SUNDAY AFTERNOON


A. L Smith, D. M. Guldi, R. C. Haddon, Organizers A. L. Smith, Presiding

10:15—3. Gas chromatographic analysis of chiral aroma compounds in wine using cyclodextrin stationary phases and solidphase microextraction. S. E. Ebeler, G. M. Sun 10:45—4. Chiral 1,3-octanediol: Synthetic studies using enzymatic methods as key steps. M. Nozaki, N. Ikeuchi, N. Suzuki 11:15—5. Analytical and sensory character ization of chiral sulfur-containing volatiles. K-H. Engel, H-G. Schmarr, A. Schellenberg

Section A Convention Center Room 210

AGFD

* Aroma-Active Compounds in Foods: Chemistry and Sensory Properties

K-H. Engel, Presiding

DIVISION OF AGRICULTURAL & FOOD CHEMISTRY R. L. Rouseff, General Chair M. J. Morello, Program Chair

SOCIAL EVENTS: Reception, Tue Dinner, Tue BUSINESS MEETING: Wed

SUNDAY MORNING

1:40—11. Biosynthesis of γ-nonalactone in yeast. R. Tressl, L-A. Garbe, H. Lange 2:10—12. Formation pathways of 3-hydroxy4,5-dimethyl-2(5/-/)-furanone (Sotolone) in citrus soft drinks. W. Schwab, T. Koenig, B. Gutsche, M. Hartl, P. Schreier 2:40—13. Formation of Strecker aldehydes. H. Weenen, J. G. M. V. Ven 3:10—Intermission. 3:25—14. Significance of 2-methyl-4-amino5-(2-methyl-3-furylthiomethyl)-pyrimidine to the formation of 2-methyl-3-furanthiol from thiamine. C-T. Ho, M-C. Lin 3:55—15. Descriptors for structure-property correlation studies of odorants. H. Guth, Κ. Buhr, R. Fritzler 4:25—16. Systematic studies on the influ ence of the chemical structure on odor quality and odor potency in homologous series of long-chain aldehydes, ketones, and alcohols. P. Schieberle, A. Buettner

Section Β



* Aroma-Active Compounds in Foods: Chemistry and Sensory Properties

* Chemistry and Physiology of Food Colors Cosponsored with Younger Chemists Committee

G. Takeoka, M. Guntert, K-H. Engel, Organizers G. Takeoka, Presiding 9:00—Introductory Remarks. 9:15—1. Synthetic approaches to chiral fla vor components. W. Pickenhagen 9:45—2. Specificity of glycosidases in tea leaves to glycosides as tea aroma precur sors. A. Kobayashi, K. Kubota, D. Wang, Y. Yoshimura

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

J. M. Ames, T. Hofmann, Presiding 2:00—17. Oxidative and free-radical-me diated colorization of catechins. C-T. Ho, M. Wang, N. Zhu 2:30—18. Green pigment formed by the re action of chlorogenic acid (or caffeic acid) with primary amino compounds during some food processing. M. Namiki, Y. Koi zumi, G. Yabuta 3:00—Intermission. 19. Withdrawn. 3:45—20. Anthocyanins from radishes and red-fleshed potatoes. R. E. Wrolstad, M. M. Giusti, L. E. Rodriguez-Saona

MONDAY MORNING Section A Convention Center Room 210 * Aroma-Active Compounds in Foods: Chemistry and Sensory Properties

M. Guentert, Presiding 9:00—21. Flavor volatiles of rice and rice products: Some recent studies. R. G. But tery, Y. Nam 9:30—22. Aroma-active compounds of fer mented meat. I. Blank, C. Cerny, B. Zurbriggen 10:00—23. Processing and genetic modula tion of soy milk flavor chemistry. Y-W. Feng, E. H. Lavin, T. E. Acree 10:30—Intermission. 10:45—24. Perception of wine-aroma chem istry. T. E. Acree, J. L. Licker, Ε. Η. Lavin 11:15—25. Volatile constituents of asafoetida. G. Takeoka, N. Mahoney, R. Molyneux

Section Β Convention Center Room 215 * Chemistry and Physiology of Food Colors Cosponsored with Younger Chemists Committee

J. M. Ames, T. Hofmann, Presiding 8:30—26. Color activity concept: A powerful tool to characterize key chromophores formed by nonenzymatic browning reac tions. T. Hofmann, O. Frank 9:00—27. Chemistry and possible physiolog ical function of selected components of a glucose-lysine model system. J. M. Ames, G. R. Gibson, R. G. Bailey, A. Wynne 9:30—28. Structure, color, and formation of low and high molecular weight products formed by Maillard-type reactions. T. Hof mann 10:00—Intermission. 10:15—29. Maillard modifications in beer. M. A. Glomb, D. Rôsch 10:45—30. Peanut roast color and sensoryattribute relationships: An exploration of influencing variables. H. E. Pattee, T. H. Sanders, T. G. Isleib, F. G. Giesbrecht 11:15—31. Is pyrrole polymerization contributing to the nonenzymatic browning produced during chicken roasting? F. J. Hidalgo, M. Alaiz, R. Zamora 11:45—Concluding Remarks.

MONDAY AFTERNOON Section A Convention Center Room 210 * Aroma-Active Compounds in Foods: Chemistry and Sensory Properties

K-H. Engel, Presiding 1:40—32. Flavor chemistry of peppermint oil {Mentha piperita L ) . M. Guentert, G. Krammer, S. Lambrecht, H. Sommer, H. Surburg, P. Werkhoff 2:10—33. Sensor systems for flavor analysis and evaluation. X. Yang, J. M. Davidsen, R. G. Eilerman, B. Antenucci

*

AGRICULTURAL CHEMISTRY

•

CATALYSIS

•

CHEMISTRY & COMPUTERS

À

ENVIRONMENTAL ISSUES MATERIALS

M •

PETROCHEMICALS

*


2:40—34. Antimicrobial properties of isothiocyanates. H. Masuda, Y. Harada, T. Inoue, N. Kishimoto, T. Tano 3:10—Intermission. 3:25—35. Novel aspects of tomatillo flavor. R. J. McGorrin, L. Gimelfarb 3:55—36. Aroma-active tetrahydrobenzofurans: Analysis, formation, and sensory properties. P. Winterhalter, B. Bonnlaender

Section Β Convention Center Room 215 * Advances in Gas Chromatography/ Olfactometry

J. Leland, T. E. Acree, Organizers J. Leland, T. E. Acree, Presiding 1:25—Introductory Remarks. 1:30—37. Future of gas chromatography/ olfactometry. Τ. Ε. Acree, Ε. Η. Lavin 2:00—38. Application of GC/O to flavor cre ation. H. Iwabuchi, Y. Imayoshi, H. Saeki, Y. Yoshida 2:30—39. Selecting standards for GC/O J. E. Friedrich, T. Ε. Acree, Ε. Η. Lavin 3:00—Intermission. 3:30—40. Limitation of the use of odor activ ity values to determine important odorants in foods. V. P. Audouin, F. Bonnet, Ζ. Μ. Vickers, G. A. Reineccius 4:00—41. Odor intensity measurements in GC/O using cross modality matching: Evaluation of training effects. P. Etievant, C. Salles, G. Callement, M. Bouchet, D. Langlois 4:30—Concluding Remarks.

MONDAY EVENING Convention Center Exhibit Hall A Sci-Mix

M. J. Morello, Presiding 8:00-10:30 42. Use of SPME in the determination of the binding of sulfur-containing flavor com pounds to proteins. R. L Adams, D. S. Mottram, J. K. Parker 43. Aroma absorption and release by rice. S. G. Wyllie, F. Pratama, P. Wormell, C. F. Chesterman 44. Flavor release from products that contain whey proteins. A. E. Boelrijk, C. J. Slangen, K. de Kruif, G. Smit 45. Activity and volatile constituents of crude fractions of Flourensia cernua (DC). M. R. Tellez, K. K. Schrader, D. E. Wedge, R. E. Estell, E. L Fredrickson, J. E. Powell 46. Low-level sulfur compounds in beverages and flavors. J. B. Kancler, M. Krigbaum 47. Evaluation of the relative impact of goat cheese water-soluble compounds on its flavor. C. Salles, Ε. Engel, S. Nicklaus, C. Septier, J-L. Le Quéré 48. Static headspace gas chromatographic analysis of flavor compounds of strawberry ice cream containing different types and levels of fat. S. M. Miettinen, L. Hyvônen, J. Marcussen 49. Comparison of headspace solid-phase microextraction vs. headspace in the study of flavor release in oral health care products. M. Staniforth 50. Changes in the volatile composition of cantaloupe using automated SPME. J. C. Beaulieu, D. L. Harrell, C. C. Grimm 51. Glycosidic aroma precursors in tea. C. Powell 52. Modeling flavor release in sugar confectionery. C. L. Ong, R. Linforth, A. J. Taylor 53. In situ X-ray diffraction studies on single and mixed confectionery fats using synchrotron radiation. S. D. MacMillan, K. J. Roberts, M. Wells, M. Polgreen, I. Smith 54. Evaluation of three commercial ELISA kits for peanut proteins. J. M. Yeung, C. Fernandez, R. McDonald 55. Determination of the distribution of glucose polymers of amylopectin using MALDI-TOF. D. A. Grimm, C. C. Grimm 56. Fast, efficient natural product isolation by flash chromatography. J. R. Bickler, P. C. Rahn 57. Development and evaluation of an enzyme immunoassay for the quality control of total glycoalkaloids in improved potato tubers. J. Perez, P. Glorio-Paulet, B. Trognitz, C. Delgado, N. Espanola

58. Gossypol recovery from cottonseed soapstock. M. K. Dowd, S. M. Pelitire 59. Accumulation of soybean phytoalexins with antiestrogenic activity from cotyledons inoculated with Aspergillus. S. M. Boue, M. E. Burow, C. H. Carter, K. C. Ehrlich, T. E. Cleveland, J. A. McLachlan 60. Cloning and expression of a cysteine protease inhibitor from induced tomato leaves. D. B. Johnston, E. C. Ramirez, N. F. Haard 61. Pyrolization and antioxidative activity of proteins following oxidative stress in fish microsomes. R. Zamora, M. Alaiz, F. J. Hidalgo 62. Fatty acid stimulated aggregation of ferric myoglobin. N. A. Woody, M. E. Vayda, R. E. Cashon 63. Antioxidant synergy between phenolics and sulfites. A. L. Waterhouse, C. Saucier 64. Bran from wheat and rice reduce aberrant crypts in rats. W. H. Yokoyama, P. A. Davis 65. Withdrawn. 66. Effect of high-pressure homogenization on microstructure and rheology of mozzarella cheese. M. H. Tunick, D. L. Van Hekken, P. W. Smith, E. L. Malin 67. Role of lactic acid in corn wet-mill steeping: The relationship between protein solubilization and starch yield. O. D. Dailey Jr., M. K. Dowd, J. C. Mayorga

TUESDAY MORNING Section A Convention Center Room 210

11:30—80. Use of aroma-active internal standards in the GC/O of citrus products. R. L. Rouseff, R. Bazemore, P. Jella 12:00—Concluding Remarks.

TUESDAY AFTERNOON Section A Convention Center Room 210 Flavor Release: Linking Experiments, Theory, and Reality

D. D. Roberts, Presiding 1:55—Introductory Remarks. 2:00—81. Techniques for measuring flavor release in vivo during eating. A. J. Taylor, R. S. T. Linforth 2:30—82. Wound response in plants: An or chestrated flavor symphony. P. Dunphy, F. Boukobza, S. Chengappa, A. Lanot, J. Wilkins 2:55—83. Measurement of fast dynamic fla vor release during eating. W. Grab, H. Geller 3:20—Intermission. 3:40—84. Real-time flavor release from con fectionery during eating. B. Harvey 4:05—85. Changes in the concentrations of key orange odorants induced by mastica tion of orange segments and orange juice. A. Beuttner, P. Schieberle 4:30—86. Released oral malodors measured by headspace solid-phase microextraction/ gas chromatography mass spectrometry. R. K. Payne, J. N. Labows Jr.

Section Β

Flavor Release: Linking Experiments, Theory, and Reality


D. D. Roberts, A. J. Taylor, Organizers P. Dunphy, Presiding

* Advances in Gas Chromatography/ Olfactometry

J. Leland, T. E. Acree, Presiding

8:30—Introductory Remarks. 8:45—68. Physicochemical models for predicting flavor release from foods. K. B. de Roos 9:15—69. Flavor release from emulsion and complex media. A. Voilley, M. B. Espinosa, A. M. Seuvre 9:40—70. Flavor release as a unit operation: A mass transfer approach. M. Marin, I. Baek, A. J. Taylor 10:05—Intermission. 10:20—71. Modeling aroma release from foods using physicochemical parameters. R. S. T. Linforth, E. Friel, A. J. Taylor 10:45—72. Mathematical models of release and transport of flavors from foods in the mouth to the olfactory epithelium. M. Harrison 11:10—73. Modeling flavor release from oilcontaining gel particles. G. Lian 11:35—74. Modeling flavor release using inverse gas chromatography/mass spectrometry. J. Castellano 12:00—75. Dynamics of flavor release from liquids. A. Parker, M. Marin

Section Β Convention Center Room 215 * Advances in Gas Chromatography/ Olfactometry

J. Leland, T. E. Acree, Presiding 8:55—Introductory Remarks. 9:00—76. AEDA vs. AECA. W. Grosch 9:30—77. Sample dilution analysis for identi fication of aroma-impact components of edible oils. K. R. Cadwallader 10:00—78. Characterization of the odoractive constituents in fresh and processed hops. P. Schieberle, M. Steinhaus 10:30—Intermission. 11:00—79. Charm analyses of bianco, reposado, and anejo tequilas. M. G. Lopez, J. P. Dufour


1:25—Introductory Remarks. 1:30—87. Use of high-precision retention time locking to facilitate GC/O. D. Baloga, J. Budin 2:00—88. SPME and GC/O in the detection of trace odorants in essential oils. S. G. Wyllie, D. N. Leach, K. Merry 2:30—89. Effect of different extraction condi tions on the aroma composition of key lime oil, using solid-phase microextraction and gas chromatography/olfactometry. M. G. Chisholm, G. M. Gaskey, J. A. Jell, D. M. Cass 3:00—Intermission. 3:30—90. SPME analysis of flavor compo nents in the headspace of scotch whiskey and their subsequent correlation with sen sory perception. J. M. Conner, K. J. G. Reid 4:00—91. Solid-phase microextraction com bined with gas chromatography/olfactom etry for cheese aroma analysis. J-P. Du four, L. P. Albela 4:30—Concluding Remarks.

WEDNESDAY MORNING Section A Convention Center Room 210 Flavor Release: Linking Experiments, Theory, and Reality

A. J. Taylor, Presiding 8:25—Introductory Remarks. 8:30—92. Theories linking chemical signals to perception. P. Etievant, P. Laffort, T. Thomas-Danguin 9:00—93. Relationship between sensory per ception and in-nose concentration of flavor volatiles. T. A. Haddock, R. S. T. Linforth, A. J. Taylor 9:25—94. Flavor release from composite dairy gels: A comparison between model predictions and time-intensity experimen tal studies. I. P. T. Moore, T. M. Dodds, R. P. Turnbull, R. A. Crawford 9:50—95. Release of nonvolatile flavor com pounds in vivo. J. M. Davidson, R. S. T. Linforth, A. J. Taylor 10:15—Intermission. 10:35—96. Sweetness and salivary sweeten er concentration: A time-intensity study. G. G. Birch, R. Karim, T. Raymond

JULY 26, 1999 C&EN 6 5

AGFD/AGRO/TECHNICAL PROGRAM

11:00—97. Determination of cocoa flavor in chocolate ice creams by descriptive sen sory analysis and SPME/GC volatile anal ysis. I. U. Gruen, H. Heymann, R. T. Mar shall, W. Welty, E. Prindiville 11:25—98. Mathematics of volatile release during consumption. C. M. Delahunty, B. Guilfoyle 12:00—Division Business Meeting.

Section Β Convention Center Room 215 General Session

M. J. Morello, Presiding 9:00—99. Antioxidant activity of some spice essential oils. E. S. Shaker, M. A. Ghazy 9:20—100. Geranium essential oils and their classification. G. Vernin, S. Chakib, R-M. Zamkotsian, G. M. F. Vernin, J-L Larice, C. Pârkânyi 9:40—101. Application of solid-phase microextraction to the analysis of warmed-over flavor compounds in beef and vanillin in aqueous solutions. I. U. Gruen, L Fernando, C. Li, B. Lin 10:00—Intermission. 10:15—102. Quickly quantifying catfish quality. S. W. Lloyd, C. C. Grimm 10:35—103. Aroma compounds throughout the sugar manufacturing process. P. Pihlsgârd, A. Leufvén, M. Larsson, H. Lingnert 10:55—104. Development and validation of a solid-phase microextraction method for the determination of coumarin, pulegone, and safrole in foods. A. G. Mills, Β. Μ. Wil liams, H. M. Brown, L. A. Miles

WEDNESDAY AFTERNOON Section A

3:05—116. Sulforaphane and vitamin C concentration in developing florets and leaves of broccoli. M. Botero Omary, P. David, T. Kizer, E. Brovelli, J. C. Araya, D. Pusateri, R. Rutledge

Convention Center Room 210 Flavor Release: Linking Experiments, Theory, and Reality

DIVISION OF AGROCHEMICALS

W. Grosch, Presiding

A. Lemley, Program Chair

8:25—Introductory Remarks. 8:30—117. Interactions of flavor compounds with starch in food processing. F. E. Escher, J. Niissli, B. Conde-Petit 9:00—118. Interactions between sulfurcontaining flavor compounds and proteins in foods. D. S. Mottram, J. K. Parker, I. C. Nobrega 9:30—119. Factors determining binding of aroma esters to legumin in an aqueous medium. M. G. Semenova, A. S. Antipova, T. A. Misharina, M. B. Terenina, R. V. Golovnya 9:55—120. Novel approach to the selective control of lipophilic flavor release in low-fat foods. M. E. Malone, I. A. M. Appelqvist, T. Goff, J. E. Homan, J. P. G. Wilkins 10:40—121. Release of volatile oxidation products from sunflower oil and its oil-inwater emulsion in a model mouth system. J. P. Roozen 11:05—122. Texture, fat, and flavor release. E. A. Gwartney, E. A. Foegeding, D. K. Larick 11:30—123. Influence of structure and viscosity on flavor release in salad dressings. M. Charles, G. Coste, E. Guichard

THURSDAY AFTERNOON Convention Center Room 210



D. S. Mottram, Presiding

F. E. Escher, Presiding

1:25—Introductory Remarks. 1:30—105. Release of odorants from roasted coffee. W. Grosch, F. Mayer 1:55—106. On-line analysis of coffee roast ing by proton-transfer-reaction/mass-spectrometry (PTR/MS). C. Yeretzian, H. Bre vard, A. Jordan, A. Hansel, W. Lindinger 2:20—107. Study of interactions between food macromolecules and small ligands, and how IR spectroscopy can contribute to it. M. Lubke, E. Guichard, J-L. Le Quéré 2:45—108. Thermodynamic evaluation and nuclear Overhauser effect study on intermolecular interaction between polyphenols and flavors. D-M. Jung, J. S. de Ropp, S. E. Ebeler 3:10—Intermission. 3:30—109. Competition between aromas for the binding on β-cyclodextrins: Study of the nature of interactions. I. Goubet, J. L. Le Quéré, E. Sémon, A. M. Seuvre, A. Voilley 3:55—110. Influence of maltodextrins with a différent dextrose equivalent on the interaction between hexyl acetate and legumin in an aqueous medium. M. G. Semenova, A. S. Antipova, L. E. Belyakova, T. A. Misharina, M. B. Terenina, R. V. Golovnya 111. Withdrawn.

1:25—Introductory Remarks. 1:30—124. Relative influence of milk components on flavor compound volatility. D. D. Roberts, P. Pollien 1:55—125. Effect of beverage-base conditions on flavor release. K. D. Deibler, T. E. Acree 2:20—126. Effect of water activity, organic acids, and viscosity on flavor release in a soft drink model system. A. Hanson, M. Larsson, A. Leufvén 2:45—127. Comparison of static headspace and gas-sampled SPME for the measurement of flavor release. S. Widder, W. Pickenhagen, M. Eggers 3:10—Intermission. 3:30—128. Influence of fat content, baking method, and flavor form on the loss of volatile esters from cookies. S. Heiderich, G. A. Reineccius 3:55—129. Effect of base and processing on flavor release from snacks. Β. Μ. King-van der Pers, C. A. A. Duineveld, L Wahbi 4:20—130. Interactions between aroma com pounds and food-packaging materials. A. Leufvén 4:45—Concluding Remarks.

Section B

General Session

M. H. Tu nick, Presiding 1:30—112. Intracellular compartmentation and kinetic properties of enzymes as controlling factors for substrate competition. T. J. Jacks 1:50—113. Characterization of low molecular weight amylose derived from cyclodextrin. J. A. Rendleman Jr. 2:10—114. Robust detection and quantification of flavonoids in U.S. foods. H. M. Merken, G. R. Beecher 2:30—Intermission. 2:45—115. Inhibitory effect of oxalic acid on enzymatic browning. S-M. Son, K. D. Moon, C. Y. Lee

6 6 JULY 26, 1999 C&EN

AGRO

THURSDAY MORNING



10:50—11. Discovery and optimization of the indolealkylbenzhydrylpiperazines: A new class of insecticides derived from 19,23dihydro-24,25-dehydroaflavanine and nominine. I. R. Silverman, S. F. Ali, D. H. Cohen, T. G. Cullen, A. J. Duggan, J. W. Lyga, K. A. Simmons 11:20—12. Improved Homer-WadsworthEmmons olefination of aldehydes. R. J. Petroski

SUNDAY AFTERNOON Section A Convention Center Room 207 * Agrochemical Residues in Eggs

SOCIAL EVENT: Social Hour, Tue

P-S. Chu, Presiding

BUSINESS MEETING: Sun

1:30—13. Development of a rapid and non specific bioassay for detection of antimi crobial residues in chicken egg yolk. Β. Μ. Hargis, D. Y. Caldwell, D. J. Caldwell, J. A. Byrd, L. H. Stanker 1:55—14. Temporal pattern of antimicrobial residue detection in chicken egg yolk sam ples following administration to eggproducing chicken hens. D. J. Caldwell, J. L. McReynolds, J. A. Byrd, D. Y. Caldwell, L. H. Stanker, Β. Μ. Hargis 2:20—15. Residues of veterinary drugs in eggs and their distribution between yolk and white. C. A. Kan, M. Petz 2:45—16. Monitoring of domestic and import ed eggs for veterinary drug and pesticide residues by the Canadian Food Inspection Agency. D. J. Quon 3:10—Intermission. 3:25—17. Organochlorine residues in Morelet's crocodile eggs from Belize. T. H. Wu, T. R. Rainwater, S. G. Platt, S. T. McMurry, T. A. Anderson 3:50—18. Determination of organochlorine and organophosphorus pesticides in eggs using solid-phase extraction cleanup. F. J. Schenck, D. J. Donoghue 4:15—19. Distribution of total 14C residue in egg yolk, white, and tissues following oral 14 C sulfamethazine administration to hens. B. Shaikh, P-S. Chu, G. D. Paulson

SUNDAY MORNING Section A Convention Center Room 207 * Agrochemical Residues in Eggs

B. Shaikh, Organizer, Presiding 8:30—Introductory Remarks. 8:35—1. Approved drugs in U.S. for meattype and egg-laying chickens: Their potential cross-use. B. Shaikh, D. J. Donoghue 8:55—2. Predicting residue transfer into egg yolks. D. J. Donoghue 9:20—3. Application of supercritical fluid extraction to pesticide and drug residue analysis in eggs. W. Fiddler 9:45—4. Determination of total 14C residues of sarafloxacin in eggs of laying hens. P-S. Chu, D. J. Donoghue, B. Shaikh 10:10—Intermission. 10:25—5. Distribution and residue depletion of tetracyclines, their 4-epimers, and other metabolites in eggs. M. Petz, G. Zurhelle 10:50—6. Simultaneous determination of residual tetracyclines in food by highperformance liquid chromatography with atmospheric pressure chemical ionization tandem mass spectrometry. H. Nakazawa, S. Ino, K. Kato, T. Watanabe, Y. Yoshimura, H. Oka 11:15—7. Direct sample introduction (DSI)/ GC/MS-MS for the analysis of pesticide residues in eggs. S. J. Lehotay, J. A. Harman-Fetcho

Section Β Convention Center Room 218 * Synthesis and Chemistry of New and Potential Agrochemicals

J. G. Fenyes Sr., D. R. Baker, G. S. Basarab, Organizers D. R. Baker, Presiding 9:00—Introductory Remarks. 9:05—8. 4-Nitroimino-1,3,5-oxadiazinanes: A new type of neonicotinoids. P. Maienfisch, L. Gsell, A. Rindlisbacher 9:35—9. Effects of individual stereoisomers of the natural product phytotoxin maculosin-2 and its synthetic congeners on growth of wheat coleoptiles (Triticum aestivum L. cv. Wakeland). M. M. Bobylev, L. I. Bobyleva, H. G. Cutler 10:05—Intermission. 10:20—10. Arylalkylbenzhydrolpiperadines: Discovery and structure-activity relation ships of a new class of lepidoptericides. J. W. Lyga, S. F. Ali, D. H. Cohen, P. A. Cruickshank, I. R. Silverman, S. W. Szczepanski


Section Β Convention Center Room 218 A * Bridging the Gap Between Environmental Fate Laboratory and Field Dissipation Studies in the Registration Process

W. Phelps, Organizer K. Winton, Presiding 1:00—Introductory Remarks. 1:15—20. Integrated field study and model ing approach for quantifying pesticide dis sipation under diverse conditions: Field portion. S. A. Cryer, H. E. Dixon-White, C. K. Robb, J. White 1:40—21. Integrated field study and model ing approach for quantifying pesticide dis sipation under diverse conditions. S. A. Cryer, H. E. Dixon-White, C. K. Robb, P. N. Coody, J. White 2:05—22. Use of 14C-flupyrsulfuron-methyl in small plot field soil dissipation testing to val idate laboratory soil degradation rate mea surements. S. K. Singles, A. C. Barefoot 2:30—Intermission. 2:45—23. Use of bridging studies to harmo nize laboratory and field studies. A. M. Bloomberg, C. K. Lam, G. C. Mattern, E. L. Arthur, V. E. Clay 3:10—24. Evaluation of half-lives of Bayer crop protection chemicals from laboratory soil metabolism and field dissipation stud ies using first-order linear and nonlinear regression analysis. A. M. Bloomberg, J. Cink, D. Dyer, J. Fisher, M. Lenz, C. Nuessle, D. Philpot, N. C. Pangilinan 3:35—25. Use of small-scale simulated run off studies to provide cost-effective infor mation on potential agrochemical runoff. M. T. Nett, P. Hendley 4:10—26. PhotoFate: An indirect photolysis test system. K. Tantuco, S. A. Mabury 4:35—27. Standardization of input parame ters for modeling estimated environmental concentrations. E. L. Libelo, R. A. Pisigan, S. K. Syslo, R. A. Bloom, M-T. L. Nguyen, K. Poff, A. Al-Mudallal

MONDAY MORNING

Section C Section A

Convention Center Room 207 International Award Symposium for Research in Agrochemicals

N. Ragsdale, W. Wheeler, Organizers N. Ragsdale, Presiding 8:30—Introductory Remarks. 8:40—Award Presentation. Richard Honeycurt. 8:45—28. Award Address. Role of the at mosphere in pesticide fate processes. J. N. Seiber, J. E. Woodrow 9:30—Intermission. 10:00—29. Modeling the fate and transport of volatile pesticides. S. R. Yates, D. Wang, S. Paperinik, J. Gan 10:25—30. Fate of copper sulfate applied to California rice fields. D. G. Crosby 10:50—31. Fog: A unique phase for partition ing of pesticides and other pollutants. C. P. Rice, S. Chernyak 11:15—32. Recognition and regulation of pesticide and other chemical exposures of humans. R. I. Krieger

Section Β Convention Center Room 218 À * Pesticides and Wildlife Analysis of Residues/Effects of Pesticides on Wildlife

Convention Center Room 219 À * Bridging the Gap Between Environmental Fate Laboratory and Field Dissipation Studies in the Registration Process

W. Phelps, Presiding 8:30—41. GIS decision support system to identify U.S. and Canada field study areas for pesticides. W. R. Effland, N. C. Thurman, R. Gangaraju, I. Nicholson, D. Kroetsch 8:55—42. Field studies using radiolabeled test substances: Outdoor metabolism or field dissipation? A. C. Barefoot, J. C. Ruhl 9:20—43. Subsurface degradation of pesticides: The generation of field vs. laboratory data and their impact on groundwater risk. M. S. Mills, N. D. Simmons, A. C. Newcombe, P. C. Vaughan, A. A. Verity, I. R. Hill 9:45—44. Water movement in columnar field lysimeters used for soil dissipation studies. R. L. Warren 10:10—Intermission. 10:25—45. Guidance for conducting terrestrial field dissipation studies. A. AlMudallal, N. C. Thurman, W. R. Effland, J. L. Cowles, R. J. Mahler, J. A. Breithaupt 10:50—Discussion. 11:35—Concluding Remarks. W. Phelps.

MONDAY AFTERNOON Section A

J. Johnston, Organizer, Presiding 8:30—Introductory Remarks. 8:40—33. Ion-trap GC-MS analysis of tissue samples for chlorinated compounds. G. L. Steinmetz, P. P. Hamlett, D. M. Klein 9:05—34. Recent advances in analytical techniques to investigate pesticide poisoning of wildlife. A. Jones, S. McGaw, L. Ross, C. McCoy, G. Turnball, A. Charlton, S. Hird 9:30—35. Using chorioallantoic membranes in nonlethal assessments of exposure and effects assessment. G. P. Cobb III, T. A. Bargar 9:55—36. Chemical and biochemical evaluation of Swainson's hawk mortalities in Argentina. E. J. Scollon, M. I. Goldstein, M. J. Hooper, T. E. Lâcher, G. P. Cobb III 10:20—Intermission. 10:35—37. Enhancement of parathion toxicity to fathead minnows following preexposure to technical grade propiconazole. S. L Levine, J. T. Oris 11:00—38. Identification of molecular indicators of pesticide exposure in fish using differential display. M. T. Simonich, D. W. Graham, D. L. Lattier 11:25—39. Recent observations of deformed amphibians originates from developmental alteration of fibroblast growth factor expression. J. J. La Clair, R. Levey 11:50—40. Pesticides in rainwater: Applying biotests for environmental and biological monitoring. T. Hamers, A. J. Murk, J. H. Koeman


• •

CATALYSIS CHEMISTRY & COMPUTERS

À ENVIRONMENTAL ISSUES

M MATERIALS

•

PETROCHEMICALS

•


Convention Center Room 219 • * Evolving Formulations and Application Technologies for Agricultural Use

B. Cross, F. Hall, Organizers, Presiding 1:30—Introductory Remarks. 1:40—69. Keynote Address. Evolution of agricultural formulations in a changing environment. R. W. Dexter 2:10—70. Keynote Address. Agrochemical application systems for the near future. T. Helmer Section D

W. Wheeler, Presiding


1:00—Introductory Remarks. 1:05—46. Environmental immunochemistry. J. M. Van Emon 1:30—47. Gas-phase photochemistry of pesticides. G. C. Miller, V. R. Herbert, C. Hoonhout, J. Geddes 1:55—48. Atmospheric transport of pesticides to the Chesapeake Bay: A review of previous studies and future directions. L. L. McConnell, C. P. Rice, J. A. HarmanFetcho 2:20—49. Transport of pesticides to the Sierra Nevada mountain range. J. S. LeNoir 2:45—50. Pesticides in the air and precipitation of the Mississippi River valley. M. S. Majewski, W. T. Foreman, D. A. Goolsby 3:10—Intermission. 3:25—51. Occurrence of methyl bromide and MITC in air resulting from soil fumigation. J. E. Woodrow, J. S. LeNoir, P. S. Honaganahalli, J. N. Seiber, R. I. Krieger, T. Dinoff 3:50—52. Use of pressurized fluid extraction for the analysis of agrochemical residues in soil. M. D. David, Q. X. Li, J. N. Seiber 4:15—53. Future challenges in determining environmental fate. J. Zabik 4:35—54. Future perspective of immunochemical analysis in the understanding of environmental fate processes. Q. X. Li 4:55—55. Challange of determining residues in food. C. Weisskopf 5:15—Discussion.

Poster Session À * Evolving Formulations and Application Technologies for Agricultural Use



Section C

International Award Symposium for Research in Agrochemicals

Section Β

*

2:45—59. NOAA's national status and trends project: Environmental significance of the uptake and depuration of the antifouling agent tributyltin by the American oyster Crassostrea virginica. J. L. Sericano, T. L. Wade, Y. Qian 3:10—Intermission. 3:25—60. Locust and tsetse fly control in Africa: Does wildlife pay the bill for food security and animal health? R. Peveling, P. Nagel 3:50—61. Probabilistic tool for predicting avian exposure to granular insecticides. D. L. Fischer, P. L. Havens, L. B. Best, D. A. Laskowski 4:15_62. Use of Poisson distribution to estimate red-winged blackbird mortality from toxic bait application. J. F. Glahn, M. L. Avery 4:40—63. Cholinesterase activities of Rana catesbiana inhabiting a pond near a chlorpyrifos-treated cornfield. S. M. Richards, T. A. Anderson, S. B. Wall, R. J. Kendall

À * Pesticides and Wildlife Monitoring Wildlife Exposure to Pesticides

B. Cross, F. Hall, Presiding 2:40-4:00 64. Influence of a spreader-sticker adjuvant and application technique on pesticide fate in cranberry cultivation. R. A. Putnam, J. M. Clark 65. Controlled delivery of pesticides from Matricap compositions. Pest management. R. Levy, M. A. Nichols, W. R. Opp 66. Windbreak technologies to reduce pesticide spray drift: Foliar collection efficiencies. F. R. Hall, T. Ucar, R. Vinning, B. Wight 67. Toxin presentations: Influence of deposit structure on bioefficacy. F. R. Hall, T. A. Ebert 68. Designing herbicide formulations to maximize efficacy and minimize rice injury in paddy environments. S. A. Cryer, R. K. Mann, S. Erhardt-Zabik, F. N. Keeney, P. R. Handy


A. Lemley, Organizer, Presiding 8:00-10:30 132, 131, 127, 112-126, 128-130, 133-154, 156-162. See subsequent listings.

J. J. Johnston, Presiding 1:30—56. Large-scale monitoring of nontarget pesticide effects on farmland arthropods in England. G. K. Frampton 1:55—57. History and risk assessment of triazine herbicides in the lower Mississippi River. W. R. Hartley, L. E. White, J. E. Bollinger, A. Thiyagarajah, J. M. Mendier, W. J. George 2:20—58. Environmental specimen banking: A useful tool for retrospective and prospective environmental monitoring. A. A. Ketrup, K. Oxynos, J. Schmitzer, K. W. Schramm

TUESDAY MORNING Section A Convention Center Room 207 Sterling B. Hendricks Memorial Lectureship Award Symposium

N. Ragsdale, Organizer, Presiding 9:00—Introductory Remarks. 9:05—Award presentation. 9:15—71. Award address. Integration of biotechnology into agricultural chemistry. B. D. Hammock 10:00—Reception.

Section Β Convention Center Room 218 À * Pesticides and Wildlife Hazards of Pesticides to Wildlife

J. J. Johnston, Presiding 8:30—Introductory Remarks. 8:40—72. Studies for the determination of secondary hazards to wildlife. D. A. Goldade, P. J. Savarie, J. J. Johnston 9:05—73. Secondary and tertiary poisoning risks associated with brodifacoum. C. Eason, G. Morriss, G. Wright, O. Sutherland 9:30—74. Poisoning of animals by anticoagulant rodenticides in the U.K. A. Jones, E. Barnett, G. Turnbull, P. Brown 9:55—Intermission. 10:10—75. Chlorophacinone residues in rangeland rodents: An assessment of the potential hazard of secondary toxicity to scavengers. T. M. Primus, J. D. Eisemann, G. H. Matschke, C. Ramey, J. J. Johnston 10:35—76. Wildlife secondary toxicity studies with warfarin. R. M. Poche 11:00—77. Evaluation of the primary and secondary nontarget hazards associated with starlicide. J. D. Eisemann, G. M. Linz, J. J. Johnston 11:25—78. Evaluation of potential toxicants for brown tree snake control on Guam. R. E. Mauldin, J. J. Johnston, T. M. Primus, P. J. Savarie, J. E. Brooks

Section C Convention Center Room 217 À * Postregistration Surface and Groundwater Monitoring Studies: An Acetochlor Case Study Acetochlor Program: Regulatory Background and Results

P. Hendley, Organizer D. Klein, Presiding 8:30—Introductory Remarks. P. Hendley. 8:40—79. Regulatory requirements from the March 1994 conditional acetochlor registration agreement. E. Behl, N. D. Simmons 9:10—80. Acetochlor surface-water monitoring program: Design and system selection. C. T. Stone, A. G. Hackett, J. Hanzas 9:40—81. Acetochlor surface-water monitoring program: Results to date. A. G. Hackett, J. R. Fuhrman, C. T. Stone 10:10—Intermission. 10:20—82. Acetochlor prospective groundwater study program: Site selection, characterization, and instrumentation. S. J. Bedosky, A. C. Newcombe, N. D. Simmons 10:50—83. Acetochlor prospective groundwater study program: Test substance application, sampling program, and analytical results. A. C. Newcombe, N. D. Simmons, K. J. Harradine, S. J. Bedosky 11:20—84. Acetochlor registration partnership: State groundwater monitoring program design, implementation, and sampling activities. N. P. de Guzman, P. Hendley, W. E. Teskey 11:50—85. Acetochlor state groundwater monitoring program: Results to date. P. Hendley, J. R. Fuhrman, N. P. de Guzman, W. E. Teskey


JULY 26, 1999 C&EN 6 7

AGRO/ANYL/TECHNICAL PROGRAM

TUESDAY AFTERNOON Section A Convention Center Room 207 A * Postregistration Surface and Groundwater Monitoring Studies: An Acetochlor Case Study Overview, Surface Water, and Analysis

T. Steinheimer, Presiding 1:30—Introductory Remarks. 1:35—86. Overview of acetochlor monitoring results from the ARP programs. N. D. Simmons, A. J. Klein 2:05—87. Correlations between ARP sur face-water data and spatially distributed landscape variables. M. Zhang, P. Hendley, Y. Guo 2:35—88. Concentrations of acetochlor, alachlor, and atrazine in rivers in Ohio. P. R. Richards, D. B. Baker 3:05—Intermission. 3:20—89. Providing "reliable information" un der FQPA—Part I: Use of ARP surfacewater monitoring data for chronic and acute aggregate exposure assessments. D. I. Gustafson, A. G. Hackett, L. R. Holden, K. M. Remund 3:50—90. Providing "reliable information" un der FQPA—Part II: Development of a surface-water exposure assessment mod el from ARP monitoring results. D. I. Gustafson, A. G. Hackett, L. R. Holden, Κ. Μ. Remund 4:20—91. Analysis of acetochlor and other herbicides and metabolites in ground and surface water: An overview on handling large programs. J. R. Fuhrman, K. J. Harradine

Section Β Convention Center Room 218 A * Pesticides and Wildlife Routes of Pesticide Exposure to Wildlife: Reducing Wildlife Exposure to Pesticides

J. J. Johnston, Presiding 1:30—92. Bioaccumulation of pesticides in bats collected from Missouri. A. C. Schmidt, R. C. Romme, V. Brack, K. Tyrell 1:55—93. Characterization of a carbofuran spill site on a remote island of the Hawai ian Islands National Wildlife Refuge. M. D. David, S. Campbell, L. A. Woodward, Q. X. Li 2:20—94. DDT enrichment in a prey-predator relationship in background and recently contaminated lakes in northern Italy. A. Di Guardo, A. Martinoli, D. G. Preatoni, B. Cerabolini, G. Tosi, D. Calamari 2:45—95. Forensic investigations of impacts (primary and secondary) from three groups of pesticides on raptors in California. R. C. Hosea, B. J. Finlayson, Ε. Ε. Littrell 3:10—Intermission. 3:25—96. Bird preference for cracked corn, sunflower chips, and brown rice during spring migration in South Dakota. G. M. Linz, H. J. Homan 3:50—97. Comparison of primary and sec ondary repellents for aversive conditioning of European starlings. R. W. Sayre, L. Clark

4:15—98. Hurdles in compiling pesticide "incidents." P. J. Hannan 4:40—99. Regulatory aspects of protecting endangered species with county pesticide bulletins. J. A. White

WEDNESDAY MORNING Section A Convention Center Room 207 * Microbial Metabolism in Plants and Microorganisms: Similarities and Divergences Hydrolytic Enzymes and Pesticide Detoxification

R. E. Hoagland, J. C. Hall, R. M. Zablotowicz, Organizers R. M. Zablotowicz, Presiding 8:30—Introductory Remarks. 8:40—100. Strategies for engineering plant resistance to the pyridine herbicides. P. C. C. Feng 9:10—101. Conjugation reactions in plants and microbes. J. C. Hall, S. Wickenden, K. Y. F. Yau 9:40—102. Microbial degradation of pesticides containing carbon-to-phosphorus bond. P. Kafarski, B. Lejczak, G. Forlani 10:10—103. Plant and microbial hydrolytic enzymes related to pesticide metabolism. R. E. Hoagland, R. M. Zablotowicz

Section Β Convention Center Room 218 Â * Postregistration Surface and Groundwater Monitoring Studies: An Acetochlor Case Study Monitoring, Modeling, and Methodology

E. Behl, Presiding 8:30—Introductory Remarks. 8:35—104. Spatial inhomogeneity of groundwater detections and implications for regulation. N. D. Simmons, A. C. Newcombe, P. Hendley, D. I. Gustafson 9:05—105. Acetochlor and its dégradâtes in groundwater: Lessons learned from fieldscale studies, observation well networks, and drinking-water surveys following a new pesticide registration. M. R. Barrett, J. Peckenpaugh 9:35—106. Using models to predict leaching in the ARP groundwater monitoring program. K. Z. Travis, D. I. Gustafson 10:05—Intermission. 10:15—107. Determination of ionic chloroacetanalide herbicide metabolites in surface water and groundwater by high-performance liquid chromatography-diode array detection and high-performance liquid chromatography/mass spectrometry. Ε. Μ. Thurman, K. A. Hostetler 10:45—108. Occurrence of acetochlor and acetochlor-metabolites in alluvial aquifers in Iowa. S. J. Kalkhoff, M. E. Savoca, E. M. Sadorf, D. W. Kolpin, E. M. Thurman 11:15—109. Overview of agrochemical stud ies of surface and groundwater contami nation in the loess soils of southwestern Iowa. T. R. Steinheimer 11:45—110. Impact of irrigation practices on shallow groundwater quality. R. F. Spald ing

Section C Convention Center Exhibit Hall A

*


•

CATALYSIS

•


À

ENVIRONMENTAL ISSUES MATERIALS PETROCHEMICALS

M • *


6 8 JULY 26, 1999 C&EN

Poster Session General

A. Lemley, Organizer, Presiding

115. Traditional and current pesticides in com mercial fish of the Black Sea basin/Sea of Azov. J. P. Hickey, S. M. Chemyak, L. Begnoche, R. Quintal, M. Poshyvanyk 116. Contaminant hazard reviews on CD. R. E. Munro, L. M. Loges, Κ. Boone, R. Eisler 117. Assessing the risk of chlorpyrifos to wildlife inhabiting citrus groves: A field in vestigation. S. R. Mortensen, D. D. Fon taine, S. P. Gallagher, M. A. Mayes 118. Behavior of Ο,Ο-diethyl and Ο,Οdiethylthiophosphate in fecal samples un der field conditions. D. Schenke, H. Gemmeke 119. High-performance liquid chromatogra phy determination of carbofuran residues and its distribution from alginate controlled-release and granular formulations in a model rice/fish ecosystem. H. R. Soltan, A. S. Marei, A. Khamis, A. Mousa, H. El-Magrabby 120. Comparative toxicity and metabolism of malathion in Bufo arenarum embryos. A. de Castro, E. Rosenbaum, O. Anguiano, A. Venturino, A. M. Pechen de D'Angelo 121. Weatherability of chlorophacinone steam-rolled oat baits under field condi tions. T. M. Primus, C. A. Ramey, D. L. Griffin, J. J. Johnston 122. Fish tissue residue-based toxicity refer ence values for chlordane, DDT, dieldrin, endrin, hexachlorobenzene, mercury, and PCBs for piscivorous wildlife. T. R. Henry, S. P. Bradbury 123. Repellent activity of catnip and osage orange fruit to the German cockroach. C. J. Peterson, L. T. Nemetz, L. M. Jones, J. R. Coats 124. Availability of aged pesticides in soil. H. Awata, T. A. Anderson 125. Hydrolysis kinetics of fenthion and its metabolites in buffered aqueous media. J. Huang, S. A. Mabury 126. Production and measurement of haloacetic acids in the aqueous environment. D. A. Ellis, S. A. Mabury 127. Photodegradation of metolachlor: Identi fication, isolation, and quantification of monochloroacetic acid. R. I. Wilson, S. A. Mabury 128. Atrazine remediation in a wetland mesocosm. H. B. Runes, J. J. Jenkins 129. Comparative uptake, translocation, and metabolism of Florasulam in wheat and broadleaf weeds. G. J. deBoer, S. Thornburgh, J. Cleveland, R. J. Ehr 130. Solid-phase microextraction (SPME) as an alternative method for the study of ter mite pheromones and cuticular hydrocar bons. J. M. Bland, W. Osbrink, D. Wood son, C. B. Vigo 131. Comparison of gas chromatography and immunoassay methods in measuring the distribution of dieldrin in rainbow trout tis sues. N. S. Kawar, G. I. Chammas, S. M. Dagher 132. Matrix effects in the immunoassay anal ysis of DDT in soils. I. I. Bashour, S. M. Dagher, G. I. Chammas, N. S. Kawar 133. Degradation and sorption of picloram in four soils at five application rates. W. L. Cook, T. J. Buehrer 134. Chemical and physical properties of thiamethoxam (CGA 293,343). H. Widmer, A. Steinemann, P. Maienfisch 135. Development of an ultrasensitive en zyme immunoassay for the analysis of glyphosate in community water systems. B. S. Bhullar, M. A. Mestemacher, J. S. Sangha 136. Multiple factor characterization and in formation display of community water sup plies and their drainage areas. D. J. Healy, M. Brouillette, C. Stone 137. Leaching of Metalaxyl and Mefenoxam fungicides in creeping bentgrass lysimeters as affected by seed or surface appli cations. I-M. Larsson-Kovach, A. M. Petrovic, D. J. Lisk

8:30-12:00 111. Withdrawn. 112. Correlation of aquatic transport and aquatic toxicity with semiempirical and ab initio molecular modeling of a triazine her bicide and its metabolites. E. A. Cioffi, R. L. Phillips 113. Acute toxicity of cholecalciferol to birds and insects. C. T. Eason, S. C. Ogilvie, L M. Milne 114. Risk of cholecalciferol secondary poi soning to dogs. C. T. Eason, M. L. Wickstrom


138. Off-site movement of pesticides and soil in runoff from vegetable production. P. J. Rice, L. L. McConnell, L. P. Heighton, A. R. Isensee, A. M. Sadeghi, A. A. AbdulBaki, P. R. Hetzer, J. E. Baker, C. J. Hapeman 139. Agrochemical losses from polyethylene mulch. C. J. Hapeman, P. J. Rice, L. L. McConnell, A. R. Isensee, L. Heighten 140. Chemistry and nematicidal effect of sinigrin and AITC from Brassica juncea. R. Tsao, Q. Yu, J. W. Potter, M. Chiba 141. Use of essential oil components to con trol postharvest brown rot of sweet cherry. R. Tsao, T. Zhou 142. Determination of gas-phase absorbance properties of some low to moderately vol atile organophosphorous pesticides. C. Hoonhout, V. R. Hébert, G. C. Miller 143. Cluster analysis in GIS for site similarity assessment. M. Zhang, P. Hendley, Y. Guo 144. Use of LC/MS/MS for the simultaneous determination of sulfonic acid and oxanilic acid metabolites of acetochlor residues in water. K. J. Harradine, M. P. Seymour 145. Determination of residues of acetochlor and its metabolites in soil and water. K. J. Harradine, M. P. Seymour 146. Identifying surface drinking-water systems at risk of exposure to pesticides. C. T. Stone, J. Hanzas, K. Talmadge 147. Acetochlor registration partnership: Groundwater study logistics. W. E. Teskey, N. P. de Guzman, S. J. Bedosky 148. Acetochlor soil metabolites: Summary of toxicology studies. I. C. Lamb, M. J. Clapp 149. Degradation of acetochlor in surface and subsurface soils under field and laboratory conditions. P. C. Vaughan, A. A. Verity, M. S. Mills, I. R. Hill, N. D. Simmons, A. C. Newcombe 150. Degradation of acetochlor in subsurface soil under undisturbed in situ field conditions. P. C. Vaughan, M. S. Mills, I. R. Hill, N. D. Simmons, A. C. Newcombe 151. Confirmation of test substance application rate from the acetochlor prospective groundwater program through the use of deposition collection devices. R. Y. Mikuni, D. G. Graham, A. C. Newcombe, K. J. Harradine 152. Changes in the soil's biomass and microbial community structure with storage and its effect on the degradation of metsulfuron methyl. S. L. Trabue, T. M. Crowe 153. Modeling pesticide transformations in soil and aquatic environments: Development of a common approach. J. B. Tarr, J. S. Dyson, P. F. Chapman, R. J. Snell 154. Environmental fate of Zeneca selective herbicide ZA1296. J. B. Tarr, R. V. Subba-Rao, S. E. Carley, A. R. Vispetto, D. G. Diaz, B. K. Eya, M. Tovshteyn, J. L. Marth, M. Akhavan, P. D. Miles, S. P. M. Powell 155. Withdrawn. 156. Degradation of pyrithiobac sodium in soil in the laboratory and field. R. D. McFetridge 157. Bromide tracer analysis in soil and aqueous samples by ICP-MS. G. A. Ferguson, R. A. Grazzini 158. Elevated temperature approaches for assessing pesticide OH reactivity. V. R. Hébert, C. Hoonhout, G. C. Miller 159. Monitoring of sodium-channel mutation in tobacco budworm (Heliothis virescens f.). S. Y. Cho, T. M. Brown 160. Fate of isoxaflutole in soils varying in physical and chemical properties. S. Mitra, P. C. Bhowmik, B. Xing 161. Analysis of Massachusetts groundwater, monitoring samples using a polymeric solid-phase extraction method. A. S. Curtis, R. A. Putnam, T. R. Auclair, L. CorteReal, P. S. Shrestha, J. M. Clark 162. Development of an enzyme immunoassay for the measurement of endothall in environmental water samples. B. S. Bhullar, M. A. Mestemacher, J. S. Sangha

WEDNESDAY AFTERNOON

Section Β

THURSDAY MORNING

Section A

Section A



* Microbial Metabolism in Plants and Microorganisms: Similarities and Divergences Oxidative and Reductive Enzymes and Pesticide Transformations

* Microbial Metabolism in Plants and Microorganisms: Similarities and Divergences Glutathione S-Transferases and Bacterial Dehalogenating Systems

J. C. Hall, Presiding

R. M. Zablotowicz, Presiding

1:45—163. Plant and microbial cytochrome P-450s: Their role in pesticide transforma tion. C. P. Mougin 2:15—164. Molecular biology of plant cyto chromes P-450. M. R. Barrett 2:45—165. Detoxification of pesticides and their metabolites in soil and water by plant materials containing peroxidases. J-M. Bollag, J. Dec 3:15—Intermission. 3:30—166. Role of phenoloxidases in the transformation of pesticides in soil. J. Dec, J-M. Bollag 4:00—167. Transformation of nitroaromatic herbicides and related xenobiotics by mi croorganisms and plants. R. M. Zablotowicz, R. E. Hoagland, H. Lee, J. T. Trevors, J. C. Hall, M. A. Locke 4:30—168. Bacterial reductive dehalogenation: Does it occur in the rhizosphere? A. L. Barkovskii

8:30—173. Functions and regulation of plant glutathione S-transferases. K. K. Hatzios 9:00—174. Bacterial GST and their role in the detoxification of pesticides and other xenobiotics. S. Vuilleumier 9:30—175. Enzymological studies on recom binant isoforms of glutathione S-transferase. A. Sommer, P. Boger 10:00—Intermission. 10:15—176. Heterologous expression sys tems to study glutathione S-transferases involved in herbicide metabolism. C. J. Andrews, I. Jepson, M. Skipsey, J. K. Townson, R. Edwards 10:45—177. Genetics and biochemistry of atrazine biodégradation by Pseudomonas sp. strain ADP and other gram-negative bacteria. M. J. Sadowsky, L. P. Wackett 11:15—178. Rational modification of haloalkane dehalogenase. H. Lee, J. T. Trevors, P. Holloway

Section Β

Section Β



• * Postregistration Surface and Groundwater Monitoring Studies: An Acetochlor Case Study Monitoring and Regulation

À * In Vitro Methods in Metabolism and Environmental Fate Studies

N. D. Simmons, Presiding

M. Schocken, D. Schabacker, Organizers M. Schocken, Presiding

1:30—Introductory Remarks. 1:35—169. Pesticide degradation in subsur face soils: Implications for groundwater risk assessments. M. S. Mills, I. R. Hill, N. D. Simmons, A. C. Newcombe 2:05—170. State water-monitoring pro grams: The Wisconsin experience. J. P. VandenBrook 2:35—171. Widespread ground and surface water monitoring as a regulatory tool: A state perspective. J. Troiano, D. Weaver, J. Marade, M. Pepple, F. Spurlock 3:05—Intermission. 3:15—172. Widespread GW and SW moni toring programs as a regulatory tool: An industry perspective. A. J. Klein, N. D. Simmons 3:45—Panel Discussion. P. Hendley.

8:30—179. In vitro methods in metabolism and environmental fate studies. M. J. Schocken 9:00—180. In vitro methods in metabolism and environmental fate studies: Applications. T. Clark 9:30—181. How can plant-cell cultures support xenobiotic metabolism studies? B. Schmidt 10:00—Intermission. 10:15—182. Bound pesticidal residues in crop plants. H. Sandermann 10:45—183. Isolated enzymes involved in the transformation of xenobiotics. J-M. Bollag 11:15—184. Chloropropionic acid photoreduction in solutions of Na2S and reduced quinones. K. K. Ngim, D. G. Crosby


Section A

General


A. Lemley, Organizer T. Spittler, Presiding

Frontiers in Analytical Education Undergraduate Research

1:30—189. Development of an analysis of oxytetracycline in extender patties. J. Kochansky 1:55—190. Identification of the insecticide binding site in complex I of the respiratory chain. F. Schuler, T. Yano, S. DiBemardo, T. Yagi, V. Yankovskaya, T. P. Singer, J. E. Casida 2:15—191. Influence of rhamnolipids on the bioavailability of aged pesticides in con taminated soils. J. C. Mata-Sandoval, J. S. Karns, A. Torrents 2:35—192. ELISA for the analysis of new pesticides in soil and water. E. Wickremesinhe, R. Brewer, E. Casale, J. Thacker, W. Zogorski, S. Stavinski 2:55—193. Solid-phase extraction of pesti cides and related compounds using novel mixed-mode polymeric sorbents. M. S. Young, D. J. Phillips 3:15—Intermission. 3:25—194. NMR relaxation study on acetamide pesticide interactions with soil organ ic matter surrogates. S. Jayasundera, W. F. Schmidt, C. J. Hapeman, A. Torrents 3:45—195. Photolytic fate of fluorinated pes ticides. S. A. Mabury 4:05—196. Fate of xanthene insecticides in the tropical environment. Q. X. Li, J. P. Alcantara-Licudine 4:25—197. Striga weeds: The persistent en emies of African crops. J. K. Ruggutt, H. H. Yarabe, S. A. Shamsi, C. W. Henry III, D. R. Billodeaux, F. R. Fronczek, I. M. Warner

Section A Convention Center Room 207 * Microbial Metabolism in Plants and Microorganisms: Similarities and Divergences Regulation and Expression of Detoxifying Enzymes J. C. Hall, Presiding

*


•

CATALYSIS

•


•


M • *


1:30—185. Enzymatic and nonenzymatic mechanisms for improving crop tolerance. G. R. Stephenson, R. J. L. Ramsey, F. L. Mena 2:00—186. Induction of bacterial cometabolic degradation in the plant rhizosphere. D. E. Crowley, A. Singer, E. Luepromchai 2:30—187. From enzyme to field: Obstacles encountered in target-based pesticide discovery. D. L. Shaner, B. Tecle 3:00—188. Nontraditional concepts of synergy for evaluating integrated weed management. M. D. K. Owen, J. Gressel 3:30—Panel Discussion.

P. A. Mabrouk, Organizer, Presiding 1:30—6. Antiaromaticity of fluorenyl cations: Experimental and calculational evidence. N. S. Mills 2:00—7. Undergraduate research in organic synthesis: Vinylogous iminium salts as building blocks for the preparation of bioactive substances in medicine and agricul ture. J. T. Gupton 2:30—8. Luminescence imaging of micro scopic interfacial processes. R. C. Engstrom, J. Whittington, J. Garelik 3:00—Intermission. 3:15—9. Materials characterization project at the University of Arizona: Reality and virtuality. J. E. Pemberton, N. R. Mackie, N. R. Armstrong 3:45—10. Balancing student needs and progress in the lab: Key elements of suc cessful research programs for undergrad uates. R. E. Milofsky 4:15—11. Comparison of the photophysics of Pt(diimine)(alkene) complexes: An illustra tion of a research project for undergradu ates. L. L. Wright À First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 110)

SUNDAY EVENING Section A Marriott Carondelet Poster Session

ANYL

7:00-9:00 General

T. R. Williams, Organizer, Presiding

DIVISION OF ANALYTICAL CHEMISTRY T. R. Williams, Program Chair SUNDAY MORNING Section A

THURSDAY AFTERNOON

SUNDAY AFTERNOON

Hilton Riverside Grand Salon B9, 1st Floor Frontiers in Analytical Education Undergraduate Research

P. A. Mabrouk, Organizer, Presiding 9:00—1. Active learning in analytical chemis try. T. J. Wenzel 9:30—2. Experiential learning in analytical and environmental chemistry: Vertical inte gration of undergraduates in research groups. R. E. Sievers 10:00—3. Undergraduate research: The ulti mate exercise in problem-based learning. C. K. Larive, B. Schowen, T. Kuwana 10:30—Intermission. 10:45—4. Problem-based learning in instru mental analysis. G. S. Wilson, M. R. Anderson, C. E. Lunte 11:15—5. Problem-based learning in the quantitative analysis class. P. A. Mabrouk A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 109)


12. Scanning electrochemical microscopy of molecular transport through porous membranes. M. Mitchell, B. D. Bath, H. S. White 13. Selective chemical modification of proteins: A method for guiding and tracking the bioconjugation process. T. J. Méndez, J. V. Johnson, C. S. Regino, D. H. Powell, D. E. Richardson 14. Analysis of products derived from the thermal degradation of bis (2-chloroethyl) sulfide (mustard gas). G. W. Wagner, B. K. Maclver, D. K. Rohrbaugh, Y-C. Yang 15. Electrochemical processes in liquid ionic solvents. D. E. Mencer 16. Universal GC method for the analysis of residual solvents in drug substance. A. P. Micheel, C. Y. Ko, S. Goltra 17. Improving robustness of an HPLC method for efavirenz oral liquid. L. A. Gearhart, J. M. Garcia, J. Segretario, E. R. Montgomery, P. K. Hovsepian 18. Monolayer thickness dependence of quantized double-layer capacitance of monolayer-protected gold clusters. J. F. Hicks, A. C. Templeton, S. Chen, R. W. Murray, J. Debord, R. L. Whetten 19. Withdrawn. 20. Fluorescent indicators for nitric oxide. H. Kojima, K. Kikuchi, T. Nagano 21. Effects of nonionic surfactants on the tris(2,2'-bipyridine)ruthenium (II) electrochemiluminescence system. M. M. Richter, S. Workman 22. Measurement of a series of fatty-amine ethoxylate surfactants using electrochemiluminescence. M. M. Richter, C. J. Alexander 23. Measurement of phenolic compounds (i.e., phenols, catechols, hydroquinones and benzoquinones) using electrogenerated chemiluminescence. M. M. Richter, J. McCall 24. Study the binding kinetics of pyridoxal kinase to self-assembled monolayer presenting pyridoxamine by surface plasmon resonance biosensor. M. Yang, C-C. Fong, M. Huang, M-S. Wong, R. Yuan

JULY 26, 1999 C&EN 6 9

ANYL/TECHNICAL PROGRAM

25. Method development and LC/MS and LC/ NMR impurity characterizations of RWJ 54428. K. Guan, D. Alves-Santana, B. Segmuller, B. Weber, J. Weber 26. Nanosized phospholipid-coated particles as biological sensors. K. P. McNamara, Z. Rosenzweig 27. Capillary isoelectric focusing with chemiluminescence detection for heme proteins. K. Tsukagoshi, M. Hashimoto, R. Nakajima, K. Kondo 28. Aquatic humic substances: Does metalion complexation induce aggregation? A. M. Dixon, C. K. Larive 29. Retention in reversed phase chromatography: Partition or adsorption? A. Vailaya, C. Horvâth 30. Optochemical sensor for hydrogen peroxide measurements in biological systems. J. Ji, Z. Rosenzweig 31. Analysis of phosphorus in water by UV irradiation. J. H. Zhao, J. X. Zhao, M. Y. Zhao 32. Mechanism and identity of key intermediates in noncatalyzed bis(2,4-dinitrophenyl) oxalate chemiluminescence reactions. J. H. Lee, J. C. Rock, M. A. Schlautman, E. R. Carraway 33. Optimized analytical methods for characterization of a reference glass for low-level radioactive waste glass. C. J. Coleman, D. K. Peeler, D. R. Best, F. M. Pennebaker, A. D. Cozzi, I. A. Reamer 34. Development and characterization of luminescent oxygen-sensing coatings. J. M. Bedlek, K. S. Schanze, B. F. Carroll, J. P. Hubner 35. Chiral separation of the enantiomers of salsolinol and related tetrahydroisoquinoline alkaloids by HPLC with sulfated β-cyclodextrin containing mobile phases. K. D. McMurtrey, C. Strawbridge, J. Mc Coy 36. Electrode coatings based on chemically modified chitosan scaffolds. W. Gorski, J. Cruz 37. Synergistic electrodeposition of IrPbOx films for amperometric detection of carbohy drates. W. Gorski, J. Bedre, D. Mendoza 38. Development of determination of trace levels of aluminum and speciation of alu minum in environmental and biological samples by electrochemical analysis. S. Bi, F. Zhang, G. Zou 39. Study of the characteristics of two highenergy intermediates generated in cata lyzed bis(2,4,6-trichlorophenyl)oxalate (TCPO) chemiluminescence reactions. J. H. Lee, J. C. Rock, M. A. Schlautman, E. R. Carraway 40. Spectrophotometric assay for determina tion of polyazacarboxylate-macrocyclic ligands in ligand-protein conjugates. E. Dadachova, L. L. Chappell, M. W. Brechbiel 41. Taylor dispersion measurements of monolayer protected clusters: A physicochemical method of nanoparticle size de termination. W. P. Wuelfing, A. C. Templeton, J. F. Hicks, R. W. Murray 42. Taylor dispersion measurements of monolayer protected clusters: A physicochemical method of nanoparticle size de termination. W. P. Wuelfing, A. C. Templeton, J. F. Hicks, R. W. Murray 43. Extraction and transport effects in spray extraction of aqueous VOCs. R. W. Cur rent, A. J. Borgerding, M. Meyer 44. Molecular dynamic simulations of the la ser disintegration of encapsulated aerosol particles. G. S. Constable, T. A. School craft 45. Stoichiometry and structure of guest-host complexes of β-cyclodextrin and porphy rins. D. E. Candisky, G. R. Gencarelli, A. N. Brimer, N. Foster 46. Tracer pulse molecular probe chromato graphic study of polymeric properties in subcritical and supercritical enviroments. P. S. Wells Jr., J. F. Parcher 47. Electrochemical study of the reduction of 3,5-di-te/?-butyl-1,2-benzoquinone in non aqueous solvents. M. W. Lehmann, D. H. Evans 48. Response of enzyme electrodes in undilut ed milk samples. F. Battaglini, E. Corton 49. Sample acquisition techniques for exo biology flight experiments. D. R. Kojiro, G. C. Carle, D. M. Stratton, J. R. Valentin 50. Withdrawn. 51. Application of surface plasmon reso nance toward studies of low molecular weight, antigen-antibody binding interac tions: An anti-T4 Fab fragment/T4 model binding study. J. A. Moore, M. Adamczyk, Z. Yu

7 0 JULY 26, 1999 C&EN

52. Development of an electrospray ioniza tion source interface for micromachined devices. P. A. Limbach, Z. Meng 53. Characterization of hydrophobic proteins using polyacrylamide gel electrophoresis and MALDI/MS. P. A. Limbach, G. Breaux, K. B. Green-Church, J. Ragas, C. Saun ders 54. Characterization of modified nucleosides from selected regions of 16S rRNA using mass spectrometry. P. A. Limbach, B. Berhane, L. P. Rodicio 55. Characterization of oligophosphorothioates using chemical digestion monitored by MALDI/TOFMS. P. A. Limbach, M. Tummala 56. Identification of the mass-silent modifica tion pseudouridine in RNA by mass spec trometry. P. A. Limbach, K. G. Patteson, L. P. Rodicio 57. Improved MALDI/MS of oligonucleotides using a proton/cation sink. P. A. Limbach, T. A. Simmons 58. Degradation of oligonucleotides during freezing/thawing process using MALDI. D. Davis, C. Bentzley 59. Particle size analysis of silica-based chromatographic materials by flow/hyperlayer field-flow fractionation: Compari son with scanning electron microscopic, electrical sensing zone, and laser-light scattering measurements. Y. Xu, T. H. Walter, B. J. Compton 60. EPR studies of adsorption of cationic sur factants on silica: Adsolubilization and strong binding sites. M. G. Bakker, G. L. Turner, E. L. Granger, T. Morris 61. HPLC for the comparison of free-radical populations in model postcombustion sys tems. T. M. Flicker, S. A. Green 62. Structural groups composition and prop erties that affect lubricant performance correlations in testing by IR spectroscopy of lube-base oils. L. Ballester, R. Osmay 63. Use of a charge density calibration for the prediction of the charge state of model hu mic materials. T. E. Grosch, J. A. Rice 64. Analysis of mint essential oils by compre hensive 2-D gas chromatography. J-M. D. Dimandja, S. B. Stanfill, D. L. Ashley, J. Grainger, D. G. Patterson Jr. 65. Automated solid-phase fluoroimmunoassay for urinalysis of drug metabolites. M. Eldefrawi, N. Nath, N. Anis, N. L. Azer, K. P. O'Connell, M. S. Bangalore, J. Wright, R. P. Schwartz 66. TIR-based spectroelectrochemical sen sor for paraquat. M. R. Clager, C. J. Seliskar, W. R. Heineman 67. Withdrawn. 68. Resolution of diffusion coefficient distri butions in humic and fulvic acids by means of diffusion ordered NMR spectros copy. K. F. Morris, A. Dixon, B. Cutak, C. K. Larive 69. Analysis of polymorphism in crystalline organic compounds using solid-state 13 CNMR spectroscopy and X-ray diffraction. B. E. Padden, D. J. W. Grant, E. J. Munson 70. Interaction of organic acids with cyclodextrins polymers. J. E. Silva-McCormick, A. Sharma, D. M. Peiris 71. New method for the measurement of air borne formaldehyde using solid-phase derivatization with 3,5-bis(trifluoromethyl)phenylhydrazine. A. M. Marsella, S. A. Mabury, J. T. Purdham 72. Supercritical fluids coupled to dynamic nuclear polarization (SF/DNP): A new in strument for the analysis of mixtures. S. Salido, H. C. Dorn 73. Analysis of malathion in soil samples us ing gas chromatography/mass spectrome try techniques. E. S. Simon, D. M. Peiris 74. Comparison of evaporative lightscattering detection vs. chemiluminescent nitrogen detection for HPLC analysis of weakly UV-absorbing pharmaceutical compounds. M. C. Allgeier, D. S. Risley, M. A. Nussbaum 75. Efficient method development for HPLC enantiomeric separations. J. T. Lee, T. E. Beesley 76. Supercritical fluids coupled to dynamic nuclear polarization (SF/DNP): A new in strument for the analysis of mixtures. S. Salido, H. C. Dorn 77. Comparison of chemiluminescent and spectrophotometric analysis of Cu(l). A. L. Pishko, S. A. Green

78. Flow-through, partial-filling affinity capil lary electrophoresis can estimate binding constants of ligands to receptors. E. Mito, J. Heintz, F. Gomez, M. Hernandez, C. Kodama 79. Novel chiral stationary-phase material for enantiomer separation: Carboxylatealumoxanes. C. D. Jones, P. K. Hurlburt, A. R. Barron 80. Efavirenz tablets method validation for assay and degradation products. M. A. Ramos, R. Brockson, W. Hedgepeth, K. Juliano, E. R. Montgomery, M. Schreiber 81. Combinatorial library approaches to chiral chromatography. T. Li, Y. Wang, A. Yang, L H. Bluhm 82. Functionalization of PMMA for chromato graphic applications. S. McWhorter, A. C. Henry, Y. Y. Davidson, Y. Wang, R. L. McCarley, S. A. Soper 83. Oxidative cleavage of carbon-silicon bond as a new method to characterize bonded stationary phases on silica gel: Amide bond-forming reactions. T. Li, A. Yang, A. P. Gehring 84. Improved stability of liposome-based sensors through sol-gel immobilization. T. Nguyen, Z. Rosenzweig 85. Capillary electrophoretic separation of binaphthyl enantiomers with two polymeric chiral surfactants: A fluorescence spectro scopic and thermodynamic study. H. H. Yarabe, M. E. McCarroll, J. K. Rugutt, I. M. Warner 86. Polymers of sodium oleyl sulfate and so dium oleyl phosphate as pseudostationary phases for micellar electrokinetic chroma tography. C. Akbay, I. M. Warner 87. Surface characterization of polynucleo tide films immoblized onto electrodes. E. L. Huang, L. Deng, F. Zhou 88. Novel single-unit analyzers for nonvola tile residue test of space flight hardware. J. L. Guidry, P. S. Fowler, C. A. Clausen III, N. Allen 89. Fluorescence study of the effect of addi tives on the aggregation behavior of Triton X-102. T. Jepkoech, M. E. McCarroll, I. M. Warner 90. Fluorescence anisotropy study of chiral interactions between polymerized amino acid surfactants and chiral analytes. M. E. McCarroll, F. Haddadian, E. J. Billiot, I. M. Warner 91. Characterization of human atherosclerot ic plaque. S. Thiam, R. Tittsworth, J. K. Ruggutt, E. Poliakoff, J. W. Robinson, I. M. Warner 92. Chiral separations using calix[4]arene de rivatives as buffer additives in capillary electrokinetic chromatography. Κ. Υ. Ham ilton, I. M. Warner 93. Separation and quantification of pyrethrins using capillary electrochromatography. C. W. Henry III, J. K. Ruggutt, I. M. Warner 94. Study the binding kinetic of pyridoxal ki nase to self-assembled monolayer pre senting pyridoxamine by surface plasmon resonance biosensor. C-C. Fong, M. Yang, M-S. Wong, R. Yuan 95. Capillary zone electrophoresis quantita tive analytical method of glucose oxidase and bovine serum albumin in glucose sen sor. H. Zhou, C. Chambers, P. Gulati, W. Van Antwerp 96. Critical analysis of PFG affinity NMR for screening mixtures in combinatorial librar ies. T. S. Derrick, C. K. Larive, E. F. McCord 97. Withdrawn. 162. Atmospheric pressure laser ionization mass spectrometry (APLI MS): Potential analytical applications in medical diagnos tics and environmental chemistry. M. F. Appel, S. Schmidt, T. Benter, R. W. Schindler 163. Multiplex nonlinear spectroscopy using an ΟΡΟ. P. C. Chen, C. C. Joyner 104. Redox and fluorophore functionalization of water-soluble gold clusters. A. C. Templeton, D. E. Cliff el, R. W. Murray


165. FTIR and NMR spectra demonstrating effect of aluminum on the carboxyl group of sodium carboxymethylcellulose. J. L. Kirsch, S. G. Lieb, Β. J. Sandman, C. A. Weddle 166. On-the-fly fluorescence lifetime determi nation of electrophoretic peaks. S. J. Lassiter, S. A. Soper, W. Stryjewski, E. A. Waddell 167. Nonlinear estimation technique in re mote sensing spectroscopy. K. R. Sharma 168. Analytical application of doubly vibra tional^ enhanced IR four-wave mixing: The optical analog to 2-D NMR. W. Zhao, J. C. Wright I. M. Kolthoff Enrichment Awards in Analytical Chemistry

S. Daunert, Organizer 98. Directing assembly in monolayers by controlling solution exchange kinetics. A. L. Bross, A. E. Hooper, L A. Bumm, D. L. Aliara, P. S. Weiss 99. Using host-guest chemistry to differenti ate chiral molecules in the gas phase. B. Garcia, J. Ramirez, C. Lebrilla • First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 110)

MONDAY MORNING Section A Hilton Riverside Grand Salon B9, 1st Floor ANYL Awards Symposium

T. R. Williams, Organizer, Presiding 9:00—100. All the world's a sample. T. J. Wenzel 9:30—101. Shrinkable metal analyzers for a faster, simpler, and better performance. J. Wang 10:00—Intermission. 10:15—102. Beauty of analytical chemistry. W. D. Shults 10:45—103. Electrochemistry and surface science: Come together? M. J. Weaver • First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 111)

MONDAY AFTERNOON Section A Hilton Riverside Grand Salon B9, 1st Floor Frontiers in Electrochemistry

A. Wieckowski, Organizer 1:00—164. Relations between mass and electron dynamics and structure in electroactive molecular melts. J. C. Crooker, R. W. Murray, J. Ritchie, E. Dickinson, M. E. Williams, S. Hendrickson 1:30—105. Microvisualization of electro chemical reactions. J. T. Hupp, K. J. Stevenson, X-J. Dang 2:00—106. Mixed-metal surfaces for metha nol and formic acid electrocatalysis. A. Wieckowski, H. Kim, I. R. de Moraes, Q. Lu, A. Crown 2:30—107. IR spectroscopy of CO adsorp tion and related dissociative chemisorption processes on electrodes at above-ambient temperatures. C. Korzeniewski, D. Kardash, J. Huang 3:00—Intermission. Spectrochemical Analysis of Interfaces 3:15—114. Near IR surface plasmon reso nance measurements of biopolymer ad sorption: Scanning angle, imaging, and Fourier-transform methods. R. M. Corn 4:00—115. Structural phases of alkanethiol monolayers. G. E. Poirier 4:45—116. Probing molecular orientation at surfaces: From macroscopic to nanoscopic domains. K. L. Rowlen, G. J. Simpson 5:30—117. Ion complexants at liquid inter faces studied by nonlinear laser spectros copy. D. Ray

Section B Hilton Riverside Grand Salon B12, 1st Floor Career Opportunities in Analytical Chemistry Cosponsored with Younger Chemists Committee

T. Barbarakis, E. Hernandez, Organizers 1:30—Introductory Remarks. 1:35—108. From capillaries to pipes: Reflec tions of a transitioning process analytical chemist. R. Guenard 2:00—109. Twenty-plus years as an analyti cal chemist in academia. I. Warner 2:25—110. Analytical R&D—"What's in it for me?" A look at analytical chemistry oppor tunities at Pfizer Central Research. Κ. Μ. Alsante, Y. Du, M. Dumont, T. Hatajik 2:50—111. Environmental analytical chemis try and careers at Solutia Inc. M. L. Trehy, F. D. Hileman, J. P. Mieure 3:15—112. Biotechnology and the analytical chemist. S. Swedberg 3:40—113. Analytical chemist as an entre preneur. W. L. Caudill À First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 111)

10:25—126. Light up your lab with liquid core waveguides: Inexpensive luminescence detection. P. K. Dasgupta 10:55—127. Electroreduction of selenious acid at mercury electrodes. P. Zuman, R. Inam, G. Somer A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 111)

Section A

Section A Hilton Riverside Grand Salon B9, 1st Floor Spectrochemical Analysis of Interfaces

G. J. Blanchard, Organizer, Presiding 1:30—128. Fluorescence studies of living polymer brush phases for microchip chemical analysis. M. J. Wirth, S. Romero, D. Xiao 2:15—129. Why does chewing gum stick to hair and what does this have to do with lignocellulosic structural composite adhesion? J. Marcinko 3:00—Intermission. 3:15—130. Actively controlled transport with molecular assemblies. P. W. Bohn, Κ. Μ. Balss, Y. Zhang

Hilton Riverside Grand Salon B12, 1st Floor Frontiers in Chemical Instrumentation

Hilton Riverside Grand Salon B9, 1st Floor Distinguished Service in the Advancement of Analytical Chemistry

M. Buchanan, Organizer, Presiding 8:30—Introductory Remarks. 8:45—118. Combining spectroscopy and chromatography in analytical chemistry. E. S. Yeung, X. N. Xu, M. R. Shortreed 9:15—119. Developing and understanding capillary electrochromatography systems for separations of PAHs. M. Sepaniak 9:45—120. Strategies for achieving selectivity in chemical sensors. W. R. Heineman, H. B. Halsall, C. J. Seliskar 10:15—Intermission. 10:30—121. Analytical chemistry research and development at Oak Ridge National Laboratory. S. A. McLuckey 11:00—122. Better radiological measurements through better sample preparation. D. W. Green, L. L. Smith 11:30—123. Analytical challenges from the next generations of microcircuits. J. W. Taylor

Section Β Hilton Riverside Grand Salon B12, 1st Floor

G. D. Christian, Organizer P. K. Dasgupta, Presiding 1:30—131. Optical nanosensors for chemical analysis and imaging outside and inside single living cells. R. Kopelman, M. A. Philbert 2:00—132. Enhancing the biocompatibility and in vivo performance of intravascular chemical sensors using nitric oxide re lease polymers. M. E. Meyerhoff, K. A. Mowery, M. H. Schoenfisch, J. K. Politis, H. Zhang, B. Oh, Μ. Μ. Batchelor 2:30—133. Immunoassay with novel electro chemical detection methods. W. R. Heineman, Η. Β. Halsall, T. H. Ridgway, M. Cousino, A. Wijayawardhana, S. Purushothama, S. Kradtap, J-W. Choi, C. Lannes, J. Nevin, C. Ahn, T. Henderson 3:00—Intermission. 3:15—134. Sandia's MicroChemLab Pro gram. A. P. Sylwester 3:45—135. Highly multiplexed capillary elec trophoresis: Going beyond DNA analysis. E. S. Yeung, H-M. Pang, G. Xue, X. Gong 4:15—136. Golden nanoparticles: Poly-redox molecules and quantum capacitors. R. W. Murray, J. Hicks, S. Chen, J. Pietron, A. C. Templeton, W. P. Wuelfing, D. Cliffel, F. Zamborini, A. Aquila, D. Miles

9:00—Introductory Remarks. 9:10—124. Optical and potentiometric mea surement of lithium. G. D. Christian 9:40—125. Calixarenes as selective recep tors for chemical sensors. D. Diamond 10:10—Intermission.

A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

WEDNESDAY MORNING Section A Hilton Riverside Grand Salon B9, 1st Floor

*


Analysis of Polymers

• •

CATALYSIS

8:30—137. Dendrimer-encapsulated nano particles: Synthesis, characterization, and applications. R. M. Crooks, M. Zhao, V. Chechik, L Sun


G. J. Blanchard, Organizer, Presiding

• First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

THURSDAY MORNING Section A Hilton Riverside Grand Salon B9, 1st Floor • Bioelectrochemistry: Analysis of Nucleotides and DNA

S. E. Creager, Organizer, Presiding

Analytical Techniques in Combinatorial Chemistry

B. Chase, Organizer D. E. Pivonka, Presiding 9:00—141. Combinatorial screening of cata lyst libraries. R. C. Willson 9:30—142. Qualitative and quantitative anal ysis in the optimization stage of solidphase combinatorial synthesis. B. Yan 10:00—Intermission. 10:15—143. Combinatorial methods for the hydrothermal synthesis of microporous materials. T. Bein, D. Gardner, N. Hilbrandt, K. Choi, P. Fanwick 10:45—144. Absolute quantitation of solidphase reactions using mass spectrometry. M. Geysen A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

WEDNESDAY AFTERNOON

Frontiers in Chemical Instrumentation

G. D. Christian, Organizer, Presiding

Section Β Hilton Riverside Grand Salon B12, 1st Floor

TUESDAY AFTERNOON

Section Β

TUESDAY MORNING

9:15—138. Uses of IR and Raman spectros copy in an industrial analytical lab. B. M. Dittmar, C. K. Spicer, W. L. Stebbings, J. W. Westberg 10:00—Intermission. 10:15—139. Spectroscopic methods for characterizing photoinduced reactions in polymer systems. A. B. Scranton, J. L. P. Jessop, K. S. Padon, E. W. Nelson 11:00—140. Polymer problems solved using PA-FTIR. R. O. Carter III

Section A Hilton Riverside Grand Salon B9, 1st Floor

8:30—152. Seven-μηη diameter hybridiza tion-sensing microelectrodes: Enzymeamplified electrical detection of a singlebase mutation in an 18-base sequence, signaled by 40,000 copies. A. Heller, D. J. Caruana, T. de Lumley-Woodyear 9:00—153. Mediated-electrochemical detec tion of nucleic acids. N. D. Popovich, M. E. Napier, J. C. Mikulecky, R. S. Thomas, J. L. Baron, A. E. Eckhardt 9:30—154. Double-stranded DNA monolay ers and electrochemical probes for charge transport through the double helix. M. G. Hill, M. Whittman, E. R. Boon, S. O. Kelley, J. K. Barton 10:00—Intermission. 10:15—155. Electrochemical detection of un labeled target DNA. R. H. Terbrueggen, J. Vielmetter, Y-P. Chen, G. T. Olsen, R. M. Umek, C. J. Yu, H. Yowanto 10:45—156. Electrochemical detection of DNA in microfluidic systems. W. G. Kuhr, S. A. Brazill, C. B. Davis À First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

THURSDAY AFTERNOON

Analysis of Polymers

Section A

A. B. Scranton, Presiding 1:30—145. Molecular orientation of polyester fibers characterized by polarized Raman spectroscopy. S. A. Riou, C. Lesko, S. Frisk, D. B. Chase, J. F. Rabolt 2:15—146. Characterization of block copoly mer solutions over the complete concen tration range. T. P. Lodge 3:00—Intermission. 3:15—146a. Integrated analytical and simu lation approaches for polymer NMR stud ies. A. Cheng 3:45—147. Characterization of maleimidevinyl ether copolymers and their applica tion to layered polymer growth. G. J. Blan chard

Section Β Hilton Riverside Grand Salon B12, 1st Floor Analytical Techniques in Combinatorial Chemistry

R. C. Willson, Presiding 1:30—148. Imaging mass spectrometry and high-throughput screening. N. Winograd, J. Xu, R. Braun 2:00—149. Hyper-hyphenated techniques and new data-analysis methods to support combinatorial-chemistry-based drug dis covery. G. Dollinger, W. Jia, M. Qian, E. Taylor 2:30—Intermission. 2:45—150. High-throughput testing of heter ogeneous catalyst libraries. S. M. Senkan 3:15—151. Evolution of flow-cell applications in the vibrational spectroscopic analysis of solid-phase combinatorial applications. D. E. Pivonka

Hilton Riverside Grand Salon B9, 1st Floor * Bioelectrochemistry: Analysis of Nucleotides and DNA

W. G. Kuhr, Presiding 1:30—157. Electrocatalytic oxidation of guanines in DNA. H. H. Thorp, P. Armistead, S. Codden, I. Verona, P. Ropp, M. Sistare, V. Szalai 2:00—158. Electrochemical quantitation of DNA immobilized on gold. A. B. Steel, R. Levicky, T. M. Heme, M. J. Tarlov 2:30—159. Electrochemical detection of anthraquinone-tagged oligodeoxynucleotides on Hg and Au electrodes. V. Kertesz, N. A. Whittemore, A. N. Mullenix, D. C. Baker, J. Q. Chambers 3:00—Intermission. 3:15—160. Subattomol detection of nucleic acids using disposable microarray sensors and intermittent pulse amperometry. M. Wojciechowski, R. Sundseth, M. Moreno, R. Henkens 3:45—161. Redox kinetics in a new class of electroactive DNA-based monolayers. S. E. Creager, E. Lam, T. MacLean, H. Yamoto, C. J. Yu, B. Terbrueggen, S. O'Connor, C. Bamdad, J. F. Kayyem • First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 113)


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10:50—15. Conformation of the epitopes of the capsular polysaccharide from vibrio cholerae 0139. A. Bush, S. Gunawardena 11:30—16. Extended helical polysaccharide epitopes and their roles in glycoconjugate vaccines. H. Jennings

CARB

Biotechnology of Bioactive Fibers cosponsored with Cellulose, Paper & Textile Division (see page 73)

DIVISION OF CARBOHYDRATE CHEMISTRY

Chemicals and Materials from Renewable Resources cosponsored with Cellulose, Paper & Textile Division (see page 73)

Z. J. Witczak, Program Chair

MONDAY AFTERNOON

SUNDAY MORNING

Convention Center Room 229 & 230

Section A


* Carbohydrate Vaccines

A. Bush, L. Bhattacharyya, Presiding

Carbohydrate Nomenclature

D. Horton, Organizer, Presiding 9:00—1. Carbohydrate nomenclature, termi nology, and symbols: Development, appli cation, and perspectives. D. Horton 9:45—2. Problem areas in carbohydrate no menclature and terminology. D. C. Baker 10:25—3. Some currently troublesome areas of carbohydrate nomenclature. L. Ander son 11:10—4. Let us put some chemistry back into organic nomenclature. K. L. Loening 11:55—Discussion. 12:05—Concluding Remarks.

1:45—17. Pneumoconjugate vaccine. R. Eby 2:25—18. Applications of high-field NMR for quality control of bacterial polysaccharide vaccines. J. P. Hennessey Jr. 3:05—19. Gel permeation chromatographic analysis of glycoconjugate vaccines. M. Kunitani, H. Parker, A. Tran 3:45—Intermission. 3:55—20. Quality control of Haemophilus in fluenzae type Β conjugate vaccines using physical and chemical methods. C. Frasch, C-H. Lee 4:35—21. Group Β streptococcal carbohy drates: Their role in virulence and as vac cines. L. Paoletti

Section Β SUNDAY AFTERNOON Section A

Convention Center Exhibit Hall A General Posters


Z. J. Witczak, Organizer, Presiding

Wolfrom-lsbell Awards Symposium

F. Brewer, Organizer, Presiding 1:30—Introductory Remarks. 1:35—5. Starch science and technology. W. M. Doane 2:00—6. Development of carbohydratebased therapeutics targeting HIV and can cer. J. Gervay 2:20—7. New methods for the preparation of potentially antiviral modified nucleosides. M. E. Jung, A. Toyota, C. J. Nichols, Y. Xu, O. Kreschik 2:40—8. Protein kinase C isoforms as tar gets for 14-acyl anthracycline antitumor drugs. A. L. Parrill, J. Deng, S. Schroeder, J. B. Roaten, T. Sweatman, M. Israel 3:00—Intermission. 3:10—9. Synthesis of C-glycosides via in tramolecular C-C bond formation. S. A. Hitchcock, S. G. Gregory, E. A. Kraynack, D. R. Mayhugh 3:30—10. Synthesis and investigations of glycopeptides and oligosaccharides. R. L. Halcomb 3:50—11. Synthesis of novel tricarbonyl in hibitors of neuraminidase. P. S. Ramamoorthy, J. Gervay 4:10—Concluding Remarks. Biotechnology of Bioactive Fibers cosponsored with Cellulose, Paper & Textile Division (see page 73)

MONDAY MORNING Section A Convention Center Room 229 & 230 * Carbohydrate Vaccines

L. Bhattacharyya, Organizer H. Jennings, M. Kunitani, Presiding 8:30—Introductory Remarks. 8:35—12. Synthetic oligosaccharide-based conjugate vaccine against Shigella dysenteriae type 1. V. Pozsgay, J. B. Robbins, R. Schneerson 9:15—13. Synthesis of bacterial surface car bohydrate antigens for development of glycoconjugate vaccine candidates. S. Oscarson 9:55—14. On the awesome power of organ ic chemistry: The development of an anti tumor vaccine. S. Danishefsky 10:40—Intermission.

7 2 JULY 26, 1999 C&EN

4:30-6:00 22. Peptido[2]rotaxanes with oligosaccharide stoppers: A model system for controlled peptide drug delivery. D. A. Leigh, S. A. Nepogodiev 23. Development of a new chemoselective li gation reaction. E. Saxon, C. R. Bertozzi 24. Synthesis of an antimicrobial glycoprotein by native chemical ligation. Y. Shin, C. R. Bertozzi 25. Probing the substrate specificity of carbo hydrate sulfotransferases involved in in flammation. B. N. Cook, K. G. Bowman, C. R. Bertozzi 26. Study of C-polysaccharide in pneumo coccal vaccine by fluorescent labeling and size-exclusion chromatography. A. Ng, C. Abeygunawardana, J. Sumner, B. Har mon, J. P. Hennessey Jr. 27. Characterization of the conjugation chemistry of PedvaxHIB->, a Haemophilus influenzae type Β conjugate vaccine, using MALDI-TOF mass spectrometry. M. J. Waskiewicz, Z. Dong, S. L. Cohen, A. Sturgess, J. P. Hennessey Jr. 28. De novo approach to the design of highaffinity carbohydrate ligands in a crystallographically defined system. R. A. Gagné, D. R. Bundle 29. Studies toward the synthesis of C-glycoside dendrimers: The synthesis of a 1-C-ethynyl glucoside and investigation of its Pd-catalyzed coupling to polyhaloarenes. M. J. Panigot, A. Bailey, D. Bailey, J. Middleton 30. Unexpected failure of benzylmagnesium chloride to provide the rearranged otolyl product upon alkylation of acetobromogalactose. M. J. Panigot, R. W. Curley Jr. 31. HF/6-31G energy surfaces for various disaccharide linkage types. A. D. French, A-M. Kelterer, G. P. Johnson 32. Preparation and solubility behaviors of octenyl succinylated β-cyclodextrins. J. Choi, S-T. Lim, D-H. Shin, T. Girek 33. Structural characterization of β-ϋ-(1->3, 1-^6)-glucans using 1H-NMR spectrosco py. Y. T. Kim, E. H. Kim, C. Cheong, D. L Williams, C. W. Kim, S. T. Lim 34. Reaction of 2-(p-tolylsulfanyl)pyranosyl chlorides with aromatic heterocycles. I. P. Smoliakova, L. N. Koikov 35. Synthesis and testing of 5-fluoro-glycopyranosiduronic acid fluorides as glycosidase inhibitors. A. W. Wong, S. G. With ers

36. Use of frontal affinity chromatographymass spectrometry for rapid screening of combinatorial libraries. S. Wang, F. Amann, D. Schriemer, O. Hindsgaul 37. Multivalent membrane receptors for cellsurface carbohydrates. C. W. Gray, Β. Τ. Walker, K. L. Kramp, T. A. Houston 38. Evaluation of glycosylphosphate frag ments of Leishmania lipophosphoglycan for β-galactosidase inhibition. K. L. Kramp, T. A. Houston 39. Withdrawn. 40. Chemical changes across the sweetwater tank of a sugarbeet factory. G. Eggleston, M. Palmisano 41. 1-Thio-1,2-0-isopropylidene acetals: Synthons for complex spiroketals. D. R. Mootoo, D. Dabideen 42. Characterization of an /V-acetylglucosamine-6-O-sulfotransferase with a possi ble role in lymphocyte homing. S. Goon, C. R. Bertozzi 43. Novel synthetic approach to principle re peating units of glycosylaminoglycans. H. Jiao, M. Haller, G. J. Boons 44. Kinetic analysis of three heparin lyases from Flavobacterium heparinum. D. L. Lohse, J. J. Tillman, J. M. Bullock, R. J. Linhardt 45. Synthesis of 2'-0-(2-acetamide) purine and pyrimidine nucleosides and the antisense properties of the modified oligonu cleotides. A. Kawasaki, A. S. Fraser, T. P. Prakash, P. D. Cook, M. Manoharan 46. Synthetic access to novel dioxane sialic acids analogs. F. M. Perron-Sierra, S. Plantier, G. Tucker, M. Burbridge, P. J. Casara, G. Atassi 47. Ultrasonic isotopic exchange in carbohy drates: Stereospecificity and regioselectivity. E. A. Cioffi, D. L. Bryant 48. Investigating the roles of three crucial active-site residues of human pancreatic α-amylase. E. H. Rydberg, G. Sidhu, C. M. Overall, G. D. Brayer, S. G. Withers 49. Sugar nucleotide and metabolite separa tion by HPLC: GDP-mannose, GDPfucose. M. L. McKee, B. C. R. Zhu, R. A. Laine 50. Synthesis of 1,2,4-triazolo[3,4-b]thiadiazine acyclo C-nucleosides. E. H. ElAshry, L. F. Awad 51. Homo-C-nucleoside analogs III: Synthesis and anomeric configuration of (2,5-anhydroD-altro-pentitol-1 -yl)-2-henyl-2H-1,2,3-Cnucleoside analogs. M. Sallam 52. Synthesis of 2'0-(3-/V,/V-dimethylaminopropyl)-5-methyluridine and 2'-0-(2methylthioethyl)-5-methyluridine and relat ed analogs. A. Fraser, A. M. Kawasaki, T. P. Prakash, P. D. Cook, M. E. Jung, M. Manoharan 53. On the total chemical synthesis of cADPR. S. C. Pope, S. M. Graham 54. Scale-up of antisense oligonucleotides: From concept to commercialization. V. Ravikumar, R. Carty, M. Moore, A. Scozzari, Z. S. Cheruvallath, A. Krotz, D. C. Capaldi, B. J. Turney, D. L. Cole 55. Synthesis and structural characterization of (1->5) amide linked η-acetyl neuaraminic acid derivatives. T. Q. Gregar, J. Gervay 56. Biosynthesis of polysialic acid as capsu lar polysaccharides in Escherichia coli. M. McGowen, J. Vionnet, B. Scates, W. Vann 57. Synthesis of carbohydrate-centered mul tivalent glycomimetics. T. K. Lindhorst, M. Dubber 58. Synthesis of carbohydrate-based ligands designed to bind gp120. D. M. Scofield, J. Gervay

TUESDAY MORNING Section A Convention Center Room 229 & 230 Bioactivation of Nucleoside Analogs

P. D. Cook, Organizer, Presiding 8:20—Introductory Remarks. 8:30—59. Bioactivation of L-nucleoside ana logs Y. C. Cheng 9:10—60. What changes in conformational parameters can be induced by phosphoryl ation in conformationally biased nucleo sides. V. E. Marquez, J. J. Marchi Jr., L. Anderson, T. Knispel, C. Meier 9:50—61. Quest for new antiviral com pounds: Discovery, bioactivation, and mechanism of action of anti-HIV active isonucleosides. V. Nair 10:30—Intermission. 10:45—62. Effect of absolute configuration of the anti-HIV and anti-HBV activity nucleo side analogs. P. A. Furman 11:25—63. Antitumor activity of branched sugar-coated nucleosides. A. Matsuda

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4

Section Β

Convention Center Room R09 Carbohydrate Vaccines and Biotechnology Cosponsored with Cellulose, Paper & Textile Division, Division of Medicinal Chemistry, and Division of Small Chemical Businesses

L Bhattacharyya, J. Vercellotti, Presiding 8:30—64. Computer-aided vaccine design. A. Berces, D. M. Whitfield, T. Nukada 8:50—65. NMR spectroscopy and molecular dynamics of a synthetic octasaccharide fragment of the O-polysaccharide of Shi gella dysenteriae type 1. B. Coxon, N. Sari, V. Pozsgay 9:10—Intermission. 9:20—66. Imaging polarimetry for highthroughput chiral screening. P. R. Gibbs, P. T. Nguyen, R. C. Willson 9:40—67. Cross-linking of chitosan during reductive n-alkylation with glyoxylic acid and sodium borohydride. J. R. Vercellotti, S. V. Vercellotti 10:00—68. Swelling carbohydrate stoppers as a novel route to rotaxanes. J. F. Stoddart, S. A. Kalovidouris, N. Jayaraman 10:20—69. Novel ether-linked secondary face-to-face 2-2' and 3-3' cyclodextrin dimers. J. F. Stoddart, D. C. Myles, R. L. Garrell, S-H. Chiu 10:40—Intermission. 10:50—70. Characterization of orange pectin extracted by microwave heating under pressure. M. L Fishman, H. K. Chau, P. Hoagland 11:10—71. Liquid chromatography atmos pheric-pressure chemical-ionization mass spectrometry (LC/APCI/MS) for identifica tion of flavanols and anthocyanins in plant extracts. C. T. da Costa, J. J. Dalluge, S. A. Margolis, D. Horton Chemicals and Materials from Renewable Resources cosponsored with Cellulose, Paper & Textile Division (see page 74)

TUESDAY AFTERNOON Convention Center Room 229 & 230

Section A


Bioactivation of Nucleoside Analogs

Chemicals and Materials from Renewable Resources cosponsored with Cellulose, Paper & Textile Division (see page 73)

1:30—72. L-Nucleosides as antiviral and an ticancer agents. C. K. Chu 2:10—73. Bis(ZBuSATE) pronucleotide ap proach applied to antiviral dideoxynucleotide L-enantiomers. G. Gosselin, C. Périgaud, J. L. Imbach, A. Faraj, L. Placidi, L. Martin, J. P. Sommadossi, D. Egron 2:50—Intermission. 3:05—74. Herpes virus thymidine kinases substrates and inhibitors. G. E. Wright 3:45—75. Certain aspects of bioactivation of nucleosides converted in cells into NAD analogs. K. W. Pankiewicz 4:25—Concluding Remarks.


P. D. Cook, Presiding

Biotechnology and Society in the New Millennium cosponsored with Younger Chemists Committee (see page 63)

WEDNESDAY MORNING Section A Convention Center Room 229 & 230 * Carbohydrate-Based Ligands Targeting Nucleic Acids

2:40—88. Taming carbohydrate complexity: A facile, high-yield route to chiral 2,3dihydroxybutanoic acids and 4-hydroxytetrahydrofuran-2-ones with very high optical purity from pentose sugars. R. I. Hollingsworth 3:00—55. See previous listing.

M. Manoharan, Organizer, Presiding

THURSDAY MORNING

8:30—Introductory Remarks. 8:35—76. Antisense technology: Engineering nucleic acids to target nucleic acids. M. Manoharan 9:15—77. Structure and function of 2'-0modified RNA analogs. M. Egli, M. Teplova, G. Minasov, V. Tereshko, G. B. Inamati, T. P. Prakash, P. D. Cook, M. Manoharan 9:55—78. 2-X-Substituted 1,3,2-oxathiaphospholanes in the synthesis of biologically active phosphates and phosphorothioates. W. J. Stec, P. Guga, B. Karwowski, K. Domanski, M. Koziolkiewicz 10:35—Intermission. 10:45—79. Physicochemical and biological properties of arabinonucleic acids (ANA and 2' F-ANA). M. J. Damha, R. T. Pon, K. Gehring, M. J. Wilds, C. Lok, A. M. Noronha, E. V. Viazovkina, M. A. Parniak 11:25—80. Pronucleotide approach: Synthesis, uptake, and intracellular metabolism. J. L. Imbach, J. C. Bologna, T. Lioux, I. Lefebvre, J. J. Vasseur, A. Pompon, F. Morvan, B. Rayner



Nucleosides and Oligonucleotides

Z. J. Witczak, Organizer, Presiding 9:00—89. Novel isopolar analogs of diadenosine polyphosphates. W. J. Stec, J. Baraniak, D. Korczynski 9:20—90. Synthesis of homologated dihalovinyl and acetylene analogs of adenosine as potential inhibitors of S-adenosyl-Lhomocysteine hydrolase. S. F. Wnuk, J. Khan, C. V. Valdez, P. Moutinho 9:40—Intermission. 9:50—91. New insights in H-phosphonate chemistry for oligonucleotide synthesis. M. A. Maier, A. P. Guzaev, P. Wheeler, H. An, T. Wang, P. D. Cook, M. Manoharan 10:10—92. Toward 3'-methylene-modified antisense oligonucleotides. H. An, T. Wang, M. Maier, B. D. Haly, R. Bharadwaj, L L. Cummins, S. Owens, E. Lesnik, P. Wheeler, M. Manoharan, B. Ross, S. Freier, P. D. Cook 10:30—93. Cationic 2'-modified oligonucleotides. T. P. Prakash, A. Puschl, A. Kawasaki, A. Fraser, M. Prhavc, I. BarberPeoch

SUNDAY MORNING Section A Convention Center Room 256 Tutorial on Internet Applications in Wood Chemistry

T. Elder, R. F. Helm, Organizers, Presiding 9:00—1. WWWW: World Wide Wood Web? M. Fanslow 10:00—2. Exploring the chemistry and sci ence of wood and paper using the SciFinder information tool. B. Cannan, W. T. Coursey

SUNDAY AFTERNOON Section A

Section Β

Convention Center Room 256 Tutorial on Internet Applications in Wood Chemistry

T. Elder, R. F. Helm, Presiding 1:30—3. Wood chemistry and the web. R. C. Fort Jr. 2:30—4. Computer-based approaches to un dergraduate and graduate classroom teaching. R. F. Helm 3:00—Intermission. 3:15—5. Internet as a resource for wood chemistry education. T. J. Elder 3:45—6. Interactive web pages for courses in materials science. J. Blackwell


THURSDAY AFTERNOON

• Carbohydrate-Based Ligands Targeting Nucleic Acids



P. D. Cook, Presiding

General Session

1:30—81. Novel DNA and PNA analogs: Selectivity in DNA molecular recognition. K. N. Ganesh, V. A. Kumar 2:10—82. Targeted gene knock-out via triple helix formation. P. M. Glazer 2:50—Intermission. 3:05—83. Effect of secondary structure on the cleavage of phosphodiester bonds of RNA. H. Lônnberg, S. Mikkola 3:45—84. Targeting RNA with small molecules. Y. Tor 4:25—Concluding Remarks.

Z. J. Witczak, Organizer A. D. French, Presiding

Biotechnology of Bioactive Fibers Cosponsored with Division of Carbohydrate Chemistry and Division of Small Chemical Businesses

1:00—94. Oligosaccharide-based glycodendrimers. J. F. Stoddart, W. B. Turnbull, A. R. Pease 1:20—95. Does antagonism of advanced glycation by acetaldehyde resolve the "French paradox"? Y. ΑΙ-Abed, R. Bucala 1:40—96. Alkyl-substituted anomeric pairs discerned by MS/CID/MS. R. A. Laine, S. Mendonca, J. Zhu, R. P. Hammer, R. B. Cole

Section Β Convention Center Room 245 General Session

Z. J. Witczak, Organizer M. Sallam A.E., Presiding 1:30—85. General route to the synthesis of β-C-galactosides and β-carba-galactosides. D. R. Mootoo, X. Cheng, N. Khan 1:50—86. Synthesis of alkyl and aryl 2,3unsaturated glucopyranosides: Catalyzed by indium trichloride. B. S. Babu, K. K. Balasubramanian 2:10—87. Carbohydrate route to furano[2,3b]benzofuran system: An integral part of the aflatoxin framework. R. Lakshmi, K. K. Balasubramanian 2:30—Intermission.

CELL CELLULOSE, PAPER & TEXTILE DIVISION S. S. Kelley, Program Chair

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Section Β

J. V. Edwards, T. L. Vigo, Organizers, Presiding 1:30—7. Cellulose structure and biosynthe sis: Where do we stand today? R. M. Brown Jr. 2:00—8. Chemically modified cotton materi als for wound management. D. V. Parikh, T. A. Calamari, N. D. Sachinvala 2:30—9. Adsorption and surface-mediated unfolding of proteins. S. C. Goheen, B. M. Gibbins, J. L. Hilsenbeck, C. W. Herbold, J. V. Edwards 3:00—Intermission. 3:15—10. Genetic engineering of cotton for improved fiber quality and value-added traits. K. Rajasekaran, J. W. Cary, T. J. Jacks, T. E. Cleveland 3:45—11. Design, preparation, and activity of cotton gauze for use in chronic wound re search. J. V. Edwards, A. Bopp, S. Mon tante, R. F. Diegelmann, S. Goheen M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63)

MONDAY MORNING Section A

OTHER SYMPOSIA OF INTEREST: Green Chemistry: Environmentally Benign Syntheses (see Division of Industrial & Engineering Chemistry, Tue, page 96) Stimuli-Responsive, Water-Soluble, and Amphipathic Polymers (see Division of Polymer Chemistry, Sun, Mon, page 128) Hydrogen Production, Storage, and Utilization (see Division of Fuel Chemistry, Wed, page 93)

9:00—13. Levulinate ester intermediates from biomass. E. S. Olson, M. R. Kjelden, A. J. Schlag, R. K. Sharma 9:30—14. Synthesis of δ-aminolevulinic acid. L. Moens 10:00—15. Synthesis and utilization of 3-dehydroshikimic acid as a chemical building block. K. Li, J. W. Frost 10:30—Intermission. 10:45—16. Carbohydrate diacids: Potential as commercial chemicals and hydrophilic polyamide precursors. D. E. Kiely 11:15—17. Bacteria as sources for different lipophilic compounds such as triacylglycerols, wax esters, and polyesters of hydroxyalkanoic acids. A. Steinbiichel, R. Kalscheuer 11:45—18. Development of a fermentation process for the production of succinic acid. N. P. Nghiem, B. H. Davison, C. K. McKeown, M. Rodriguez Jr.

Convention Center Room 256 M Chemicals and Materials from Renewable Resources Chemicals Cosponsored with Division of Carbohydrate Chemistry

J. Bozell, E. Chornet, Organizers J. Bozell, Presiding 8:15—Introductory Remarks. 8:30—12. Vision for renewable resources. J. McLaren

Convention Center Room 238 Biotechnology of Bioactive Fibers Cosponsored with Division of Carbohydrate Chemistry and Division of Small Chemical Businesses

J. V. Edwards, Presiding 8:30—19. Nonhealing wounds: Mechanisms and dressings. D. R. Yager 9:00—20. Biodegradable composite wound dressing. A. P. London-Brown, A. E. Tonelli, S. M. Hudson, B. S. Gupta 9:30—21. Use of arterial grafts as biomedical textiles. M. Bide, M. Phaneuf, F. LoGerfo, W. Quist 10:00—Intermission. 10:15—22. Bioactive biodegradable hydrogels for textile coating. C. C. Chu, Y. L. Zhang 10:45—23. Understanding dressing compo sition: A biomaterial point of view. G. P. Hansen M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63)

MONDAY AFTERNOON Section A Convention Center Room 256 H Chemicals and Materials from Renewable Resources Chemicals and Polymers Cosponsored with Division of Carbohydrate Chemistry

L. Moens, Presiding 1:30—24. New approaches to stereoselec tive functionalization of levoglucosenone. Z. J. Witczak 2:00—25. Furfural and levoglucosan produc tion from deciduous wood and agricultural wastes. J. Gravitis, N. Vedemikov, J. Zandersons 2:30—26. Pretreatment processes to in crease yield of levoglucosan from fast pyrolysis of herbaceous feedstocks. R. Brown, D. Radlein, J. Piskorz 3:00—27. Analysis of levulinic acid catabolism in Rastonia Eutropha and the use of levulinic acid for the biotechnological pro duction of microbial polyesters containing 4-hydrovaleric acid as a constituent. A. Steinbuchel, A. Bramer, V. Gorenflo 3:30—Intermission. 3:45—28. Synthesis and properties of poly mers derived from substituted lactic acids. G. L Baker, M. Yin 4:15—29. New oligomers and polymers bearing furan moieties. A. Gandini 4:45—30. Is the production of microbial poly mers a good idea? A life cycle and energy perspective. T. Gerngross

SOCIAL EVENT: Social Hour, Dinner, Tue


JULY 26, 1999 C&EN 7 3

CELL/CHED/TECHNICAL PROGRAM

Section Β

TUESDAY MORNING

Convention Center Room 238 Biotechnology of Bioactive Fibers Cosponsored with Division of Carbohydrate Chemistry and Division of Small Chemical Businesses

T. L. Vigo, Presiding 1:30—31. Antimicrobial polymers and fibers: Retrospective and prospective. T. L. Vigo 2:00—32. Microbiological characterization of durable, rechargeable antimicrobial cotton textiles. G. Sun, X. Xianjing, J. Bickert, J. Williams 2:30—33. Biodeterioration of wool by micro organisms and insects. J. M. Cardamone 3:00—Intermission. 3:15—34. Durable and regenerable antimi crobial textiles. G. Sun 3:45—35. Cotton towelettes for decontami nation of nerve agents. W. P. Singh, A. Giletto, J. K. Grimsley, J. Wild, J. V. Ed wards Η Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63)

MONDAY EVENING Convention Center Exhibit Hall A

Section A Convention Center Room 256 Η Chemicals and Materials from Renewable Resources Materials Cosponsored with Division of Carbohydrate Chemistry

J. Bozell, Organizer, Presiding 8:30—51. Renewable-resource-based ther mosetting adhesives: Selection and devel opment with thermal analysis. Β. Υ. Riedl 9:00—54. Cleavage of lignin under mild con ditions. P. Zuman, E. Rupp 9:30—53. Value-added products from steam explosion and shear deformation under high pressure. J. Gravitis, A. Kokorevics, O. Bikovens 10:00—Intermission. 10:15—52. Influence of the reactivity and functionality of phenolic model compounds on network formation reactions. S. S. Kelley, X. Wang, M. D. Myers, M. F. Davis 10:45—55. Thermoplastic nanocomposites from cellulose. H. Matsumura, W. G. Glasser 11:15—56. Thermoplastic wood esters from steam-exploded fibers. R. K. Jain, W. G. Glasser

Sci-Mix

S. S. Kelley, Organizer, Presiding 8:00-10:30 36. Rapid liquefaction of lignocellulosics by using cyclic carbonates and a potential for the synthesis of levulinic acid. T. Yamada, H. Ono 37. Northern wood species identification with chemical markers. Β. Υ. Riedl, A. Pichette, F. X. Garneau 38. Application of lignins for soils upgrading. T. Stevanovic-Janeszc, B. Riedl, G. Lemieux 39. Mechanical and thermal properties of polyurethane films prepared from liquefied wood with polymeric MDI. A. Koizumi, S. Doi, Y. Kurimoto, Y. Tamura 40. Biodegradable polymers and composites from steam-exploded biomass compo nents. W. G. Glasser, R. K. Jain, I. Ghosh, R. Taib, K. C. Seavey 41. Biopolymers by steam explosion/fractionation: Cellulose, lignin, xylan and de rivatives. R. K. Jain, M. Ibrahim, R. S. Wright, W. G. Glasser 42. Effects of swelling treatments on fiber sur face chemistry. W. T. Tze, D. J. Gardner 43. Effect of surfactant on the enzyme hy drolysis of cellulosic fibers. C. Mizutani, K. Seguchi, N. R. Bertoniere 44. Consolidation of matte paint using a nat ural polysaccharide (funoran). F. Michel, M. A. Schirle, P. Richner, A. Reichlin, G. Teoh 45. Thermostable xylanase from an alkalothermophilic actinomycete. M. Rao, S. George, A. Absar 46. Studies on degradation of biomass to ob tain added value chemicals and materials. D. K. Sharma 47. Activated carbon fibers prepared from acetic acid lignin. S. Kubo, Y. Uraki, Y. Sano 48. Preparation of amphiphilic lignin deriva tives and its application to water-soluble polymeric support for immobilization of cellulase. Y. Uraki, M. Nishida, N. Ishikawa, Y. Sano 49. Environmentally friendly process of pulp production. S. Siegle 50. Pretreatment and properties of metalized PET fibers. L. Zheng, Y. Q. Shi, F. Chen

Section Β Convention Center Room 238 M Cellulose and Textile Chemistry Textile Applications of Enzymes

N. Bertoniere, G. Buschle-Diller, Organizers N. Bertoniere, Presiding 8:25—Introductory Remarks. 8:30—57. Enzymatic treatment of lyocell: Highlights to clarify depilling mechanisms. A. C. Paulo, J. Morgado 9:00—58. Effect of the agitation level during the enzymatic treatment of cotton fabrics. M. K. Traore, G. Buschle-Diller 9:30—59. Comparison of cotton fiber dam age from cellulase finishes. W. R. Goynes, P. S. Howley, B. F. Ingber, N. R. Bertoniere 10:00—60. Structural changes in cotton cel lulose from modification with cellulases from genetically engineered organisms. N. R. Bertoniere, P. S. Howley, M-A. Rousselle, K. Clarkson, K. Larenas, D. van Schouwen 10:30—Intermission. 10:35—61. Conjugation and activity of lysozyme and cellulase with cotton cellulose and cross-linked ethoxylate acrylate resin. J. V. Edwards, A. J. Ullah, K. Sethumadhavan, S. Batiste, W. R. Goynes 11:05—62. Studies about indigo backstaining during washing with cellulases. J. Andreaus, R. Campos, A. Cavaco-Paulo 11:35—63. Retting of flax with endopolygalacturonase from Rhizopus species. D. E. Akin, G. Henriksson, D. Slomczynski, K-E. L. Eriksson M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63) Carbohydrate Vaccines and Biotechnology cosponsored with Division of Carbohydrate Chemistry (see page 72)

TUESDAY AFTERNOON

3:00—67. Dyes as structural probes for the investigation of cellulose fine-structure modifications. M. K. Inglesby, S. H. Zeronian, G. B. Buschle-Diller, K. Weisz 3:30—Intermission. 3:45—68. Structure-property relationship of developing cotton fibers. Y-L. Hsieh 4:15—69. Dimensional changes in cotton mercerized at elevated temperatures. E. K. Boylston, D. P. Thibodeaux 4:45—70. Pectinase-hydrolyzed components from sized and desized cotton fabric. M. M. Hartzell-Lawson, K. Larsen, D. Wright H Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63) Biotechnology and Society in the New Millennium cosponsored with Younger Chemists Committee (see page 63)

WEDNESDAY MORNING Convention Center Room 256 π Cellulose and Textile Chemistry Solutions and Derivatives

S. Gallagher, Presiding 8:30—71. Chemistry of the cellulose/NMMO/ water system: Heterolytic reactions. T. Rosenau, A. Potthast, P. Kosma 9:00—72. Chemistry of the cellulose/NMMO/ water system: Homolytic reactions. A. Potthast, T. Rosenau, P. Kosma 9:30—73. Studies on solutions of cellulose in A/,/V-dimethylacetamide/lithium chloride by light-scattering methods. T. Roeder, B. Morgenstem, O. Glatter 10:00—Intermission. 10:15—74. Regeneration of cellulose-l from cellulose solutions prepared from cellu lose-ll and cellulose-l. Q. Xu, J. Ni, L-F. Chen 10:45—75. Blends of carboxymethyl and diethylaminoethyl cottons. G. J. Tregre, N. D. Sachinvala, O. A. Hamed, D. L. Winsor, N. R. Bertoniere 11:15—76. Synthesis and applications of deoxycelluloses and related structures. T. L. Vigo, N. D. Sachinvala

WEDNESDAY AFTERNOON Convention Center Room 256 H Cellulose and Textile Chemistry Recent Development in Finishing

E. J. Blanchard, Presiding 1:30—77. In situ cellulose modification of wool/cotton blended textiles. J. M. Car damone, J. D. Turner 2:00—78. Surface properties and fluorination of a Tencel fabric. P. Lo Nostro, D. Corrieri, M. Ceccato, P. Baglioni 2:30—79. Preparation of siloxane phospho rous compounds and their textile applica tion. S. Gallagher 3:00—80. Flame-resistant cellulosic materi als. E. J. Blanchard, Ε. Ε. Graves, P. A. Salame 3:30—Intermission. 3:45—81. Additives that suppress yellowing and improve performance in formalde hyde-free DP finishing with citric acid. C. M. Welch, J. G. Peters 4:15—82. Study of the influence of ultra sound on enzymatic scouring of greige cotton fabric. V. G. Yachmenev, E. J. Blanchard 4:45—83. Cotton textile damage and energy consumption by mechanical drying. Y-S. L. Buisson, A. D. French

Convention Center Room 256 M Cellulose and Textile Chemistry Structural Investigations

G. Buschle-Diller, Presiding 1:30—64. Complete chemical shift map of allyl and crotyl celluloses. N. D. Sachinvala, O. A. Hamed, D. L Winsor, G. J. Tregre, K. Maskos, N. R. Bertoniere 2:00—65. Touring the hills and valleys of the cellobiose potential energy surface. A. D. French, A-M. Kelterer, G. P. Johnson 2:30—66. Hydrogen bonds in cellulose-ll crystals. T. Kondo

7 4 JULY 26, 1999 C&EN


THURSDAY MORNING Convention Center Room 256 M Interfaciai Phenomena Involving Cellulosic Materials Cosponsored with Division of Colloid & Surface Chemistry

G. Gamier, Organizer W. G. Glasser, Presiding 8:30—Introductory Remarks. 8:35—84. Surface characterization of plain paper as applied to paper-ink interactions in ink-jet printing. A. Paschalis, Y. N. Lin, J. Andrews 9:05—85. Wetting mechanism of alkyl ketene dimers on cellulosic surfaces. G. B. D. Gamier 9:35—86. Liquid wetting and surface-free en ergy of sized and unsized paper. W. Shen, Y. Filonanco, Y. Trong, I. H. Parker, N. Brack, J. Liesegang 10:05—Intermission. 10:20—87. Control of the polymer concentra tion profile across paper by surface treat ment. G. B. D. Gamier, M. Shirazi, N. Esmail 10:50—88. Mechanism of paper-strength enhancement by waterborne polymers. J. Zhang, R. H. Pelton, M. Rundlôf, L. Wagberg 11:20—89. Contact-angle determination of lignocellulosic fibers by column-wicking measurements. D. J. Gardner, S. Q. Shi, W. T. Tze, T. G. Rials

THURSDAY AFTERNOON Convention Center Room 256 M Interfacial Phenomena Involving Cellulosic Materials Cosponsored with Division of Colloid & Surface Chemistry

G. Gamier, Presiding 1:30—90. Dynamic events at the surface of cellulosic films. W. G. Glasser, U. Becker 2:00—91. Surface chemical modification of cellulosic fibers. A. Gandini 2:30—92. Enhancing the interfacial adhesion in cellulose fiber composites with cellulose acetate butyrate. K. C. Seavey, R. M. Taib, I. Ghosh, W. G. Glasser 3:00—Intermission. 3:15—93. Adhesive wettability of recycled creosote-treated wood. S. Q. Shi, D. J. Gardner 3:45—94. Wood fiber-reinforced composites manufactured using a rapid-press-consolidation technique. D. V. Plackett, T. L. Andersen, R. Torgilsson 4:15—95. SPM-phase contrast imaging of kraft pulp fibers. J. Peltonen, J. Simola, P. Malkavaara, R. Alen Biotechnology in Medicine cosponsored with Division of Medicinal Chemistry (see page 109)

10:45—11. Chemistry in science museum exhibits: Opportunities and challenges. J. J. O'Brien 11:15—12. Cooking with chemistry. D. A. Katz

CHED

Section C Doubletree Rosedown A

DIVISION OF CHEMICAL EDUCATION L. Pence, H. E. Pence, Program Chairs T. R. Wildeman, Program Committee Chair

SOCIAL EVENTS: 75th Anniversary Banquet, Sat 75th Anniversary Celebration, Tue BUSINESS MEETING: Tue

SUNDAY MORNING Section A Doubletree Crescent A Distance Learning in Chemistry Cosponsored with Materials Chemistry Secretariat

D. Kimbrough, Organizer, Presiding 8:30—Introductory Remarks. 8:35—1. Teaching general chemistry via broadcast television. L. S. Brown 9:05—2. Distance learning via TV. V. Thielmann 9:35—3. Distance education: The use of a web site. A. M. Harrison 10:05—Intermission. 10:15—4. First venture into hyperspace: Con cepts of AP chemistry. W. R. Robinson 10:45—5. Experience from diverse courses and approaches guides the development of a web-based high-school chemistry teacher project. C. Ansorge, D. Brooks, W. Glider, C. Horn, J. Partridge, W. Udell 11:15—6. Teaching at an Internet distance: Findings of a faculty seminar. D. J. Wink

Section Β Doubletree Crescent Β Demonstrations with Everyday Substances

J. J. Fortman, W. C. Deese, Organizers J. J. Fortman, Presiding 8:30—Introductory Remarks. 8:35—7. Electrical conductivity and the prop erties of gases. J. M. Manion, P. F. Krause 9:05—8. Hot packs and cold packs. J-M. Whitfield, K. A. Woodling 9:35—9. Another look at the deflection of fall ing liquids. H. H. Harris, J. Newstrum 10:05—Intermission. 10:15—10. Encouraging students to investi gate acids and bases using plant indica tors. P. K. Kerrigan, A. Burns

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M MATERIALS

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PETROCHEMICALS

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Section C Doubletree Rosedown A M Tutorial on Recent Developments in Fullerene Chemistry Cosponsored with Materials Chemistry Secretariat

A. Smith, Organizer, Presiding

Thinking Outside the Box

J. Kotz, B. Vining, Organizers J. Kotz, Presiding 8:30—Introductory Remarks. 8:35—13. Everything but the kitchen sink: 300 years of textbook innovation. W. B. Jensen 9:00—14. Rethinking the goals of general education chemistry course. M. J. Nelsen 9:25—15. Web-based prelaboratory quizzes through WebCT. J. A. Caughran, C. H. Atwood 9:50—16. Student motivation: The leveling impact on activities outside the box. A. L. Parrill 10:15—Intermission. 10:25—17. Quantitative analysis of sunscreen products. J. Asoka 10:50—18. Modular approach to advanced chemistry laboratories. K. H. Whitmire 11:15—19. Why should we look beyond chalk to teach chemistry? D. M. Bunce 11:40—20. Providing appropriate resources: Expanding student learning with instructional technology. J. Reeves, G. C. Weaver Forensic Science cosponsored with Society Committee on Education (see page 62)


1:30—Introductory Remarks. 1:35—33. Fullerenes, soot, and interstellar grains: A case of interdisciplinary re search. W. Kraetschmer, D. R. Huffman 2:05—34. Carbon nanotubes: Discovery, structure, and properties. M. S. Dresselhaus 2:35—35. Principles of fullerene chemistry. A. Hirsch 3:05—Intermission. 3:15—36. Photophysics of fullerenes and adducts. C. S. Foote 3:45—37. Spectroscopy of fullerenes. H. Kuzmany 4:15—38. What's new in fullerene structure. A. L. Balch

SUNDAY EVENING Chemistry Survival Guide cosponsored with Society Committee on Education (see page 62)

MONDAY MORNING Section A Doubletree Crescent A Distance Learning in Chemistry Cosponsored with Materials Chemistry Secretariat

Doubletree Crescent A

D. R. Kimbrough, Organizer G. C. Weaver, Presiding

Distance Learning in Chemistry Cosponsored with Materials Chemistry Secretariat

8:30—Introductory Remarks. 8:35—39. Online introductory chemistry. W. Volland, G. Volland 9:05—40. Addition of a distance learning component to an on-campus laboratory course. D. R. Kimbrough, D. Curtis 9:35—41. Remote scanning probe microsco py and distance learning in chemistry. W. S. Glaunsinger, E. W. Ong, B. L. Ramakrishna, V. Pizziconi, A. Razdan, A. A. Garcia 10:05—Intermission. 10:15—42. Distance learning in chemistry at RIT, Part 1: Assessment of tools. P. A. Craig 10:45—43. Distance learning in chemistry at RIT, Part 2: Assessment of distance learn ing vs. regular courses. R. H. Paine 11:15—44. Distance learning in chemistry at RIT, Part 3: Distance-learning laborato ries. R. H. Paine

D. J. Wink, Presiding 1:30—Introductory Remarks. 1:35—21. Why the web makes me SICK. T. A. Holme 2:05—22. Distance education in science at Harold Washington College's program for the military. D. D. Lehman, T. B. Higgins, F. Thoet, E. Hines 2:35—23. Web-based introductory chemistry module: A field study. D. R. Walker, V. Williamson, S. Yennello 3:05—Intermission. 3:15—24. Nonmajors chemistry for continuing studies students, via distance education. C. H. Snyder 3:45—25. Portability of a distance-learning general chemistry course: Reflections on teaching somebody else's course. G. C. Weaver, D. R. Kimbrough 4:15—26. Distance-learning chemistry over the Internet: Tools that can make a difference. J. Reeves, C. R. Ward, G. C. Weaver

Section Β Doubletree Crescent Β Demonstrations with Everyday Substances

W. C. Deese, Presiding 1:30—Introductory Remarks. 1:35—27. Can one teach chemistry with ev eryday substances? A. S. W. Sae 2:25—28. SourceBook activities using every day substances. C. L. Ayers, J. Schreck, M. V. Orna 2:55—29. Demonstrations with gases. M. D. Alexander 3:25—Intermission. 3:30—30. Ring of fire with rubbing alcohol and a couple of others. W. C. Deese 4:00—31. Demonstrating applications of chemistry with everyday substances. J. J. Fortman 4:30—32. Wet demos. D. A. Katz

Section Β Doubletree Crescent Β Teaching Polymers at All Levels: Kindergarten to Graduate School Cosponsored with Division of Polymer Chemistry

S. Krause, Organizer, Presiding 8:30—Introductory Remarks. 8:35—45. Polymer activities and experi ments for K-16. J. P. Droske 9:10—46. Polymers: Those crazy things. P. K. Kerrigan, A. Burns, L Simon, R. Helmy 9:35—47. Polymers on parade. J-M. Whit field 10:00—48. "Grow Creatures": A polymer ed ucation outreach program for K-3 stu dents. G. L. Weibel, S. J. Wirsig, C. K. Ober 10:25—Intermission.


10:35—49. Introducing elementary students and preelementary teachers to polymers through demonstrations. E. N. Losey, C. E. Ophardt 11:00—50. Using polymers to enhance the elementary- and middle-school curricula. S. A. Van Natta 11:25—51. Polymer chemistry demonstra tions from our national outreach program. V. R. Wilcox

Section C Doubletree Rosedown A&B Guided Inquiry Approaches to Chemistry Instruction

J. N. Spencer, R. S. Moog, Organizers R. S. Moog, Presiding 8:45—Introductory Remarks. 8:50—52. Guided inquiry instruction: Cogni tive research and teaching. J. N. Spencer 9:25—53. Technology-enabled activitybased learning in general chemistry. P. A. Wegner 9:50—54. Guided inquiry learning in general and organic chemistry. R. C. Butler 10:15—Intermission. 10:25—55. Guided inquiry organic chemistry: Replacing lectures with group work. A. Straumanis 10:50—56. Guided inquiry and group learn ing in general and physical chemistry. R. S. Moog 11:15—57. In the spectrum between lectures and guided inquiry, what color should I choose for my class? A. Grushow Fullerenes cosponsored with Division of Organic Chemistry (see page 115) Green Chemistry cosponsored with Society Committee on Education (see page 62)

MONDAY AFTERNOON Section A Doubletree Crescent A Chemistry and the Internet

Β. Μ. Tissue, Organizer, Presiding 1:30—Introductory Remarks. 1:35—58. Update on the ConfChem online conferences. B. M. Tissue, D. Rosenthal 1:55—59. Internet Journal of Chemistry. In teractive publication. S. M. Bachrach 2:25—60. Interinstitutional online physical chemistry collaborations. G. C. Weaver, T. J. Zielinski, D. G. Sauder, G. M. Shalhoub, R. P. Stout, D. M. Whisnant, G. R. Long, L. Smith Lever 2:55—61. Creating student-friendly WWW Mathcad physical chemistry learning re sources. T. J. Zielinski 3:25—Intermission. 3:35—62. Project in web-page creation in a general chemistry course. K. M. Kulinowski 4:05—63. Internet reference for chemical technician training (and other experiences using the web for chemical education). M. S. Epstein 4:35—64. The web: A connection to society and the "real world." C. Middlecamp, C. Stanitski, L. Eubanks, W. Stratton


V. R. Wilcox, Presiding 1:30—Introductory Remarks. 1:35—65. Polymers as a bait for K-12 stu dents: An effective science and minority outreach tool. G. Subramanian 2:00—66. Polymer Science Learning Center: A resource for everyone. L. J. Mathias, M. Michalovic, G. J. Brust, N. Warren, C. Hufford, M. Malwitz, D. Parrish 2:25—67. Bringing the story of polymers into grades K-12. M. I. Kohan 2:50—68. Chemistry of slime: Five viscosity experiments for all levels. M. D. Duerst, M. Zhu, J. A. Schaffer, M. M. Serbesa, A. M. Ziegler, K. McLaughlin

JULY 26, 1999 C&EN

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CHED/TECHNICAL PROGRAM

3:15—Intermission. 3:25—69. Polymer demonstrations and ex periments. D. A. Katz 3:50—70. Graduate students teaching middle- and high-school students about polymers. M. G. Dunbar, J. L David 4:15—71. Inspiring future scientists through polymers: A graduate-student-instructed polymer lab course for high-school stu dents. A. M. Heintz, J. L David 4:40—72. Garcia Center Open House: A hands-on introduction to polymers for N.Y. metro-area high-school students. M. H. Rafailovich, J. Sokolov, S. A. Schwarz, A. Ulman, N. L. Yang, O. Garcia

Section C Doubletree Rosedown A&B Guided-lnquiry Approaches to Chemistry Instruction

J. N. Spencer, Organizer, Presiding 2:00—Introductory Remarks. 2:05—73. Guided-inquiry-based learning in freshman chemistry: Is the goal attain able? U. Zoller 2:30—74. Guided inquiry in the community college laboratory. S. Kolchens, P. J. Smith 2:55—75. Guided-inquiry organic chemistry: Replacing verification laboratories with discovery laboratories. F. J. Creegan 3:20—Intermission. 3:30—76. Collaborative laboratory inquiry: Implementation and assessment. N. Konigsberg Kerner, C. Berger, Y. Lee 3:55—77. Guided-inquiry investigations at Arizona State University. R. C. Bauer, J. P. Birk

Section D Convention Center Exhibit Hall Β Undergraduate Research Posters

L. Garrison, Organizer, Presiding 2:00-4:00 Analytical Chemistry 78. Ground- and excited-state interactions of phenolic compounds and tris(2,2'-bipyridine)ruthenium(ll) in aqueous media. M. M. Richter, B. High 79. On the existence of naturally occurring xenates. J. J. Lagowski, P. F. Zitz, T. Ayvaz, G. C. Diaz 80. Characterization of peppermint and spear mint oils and peppermint and spearmint leaf extracts with GC-MS. L. S. W. Pelter, E. E. Basista, S. S. Grewal 81. Adsorption-desorption characteristics of copper at the solution-solid interface. C. D. Biddle, M. C. Koether 82. Synthesis and analysis of the behavior of porphyrins in different media using UV-Vis and NMR spectroscopy. G. R. Gencarelli, D. E. Candisky, N. Foster 83. Metal complexes of a water-soluble octabrominated porphyrin. R. A. Richards, E. Doomes, G. M. Miskelly, A. N. Thompson Jr., S. C. Bhatia, N. Ravi 84. Determination of an acid dissociation constant by solvent microextraction. J. Hein, M. Jeannot 85. Stabilization of an unusual imido ligand with the V(N[lBu]Ar)3 complex. P. Sangtrirutnugul, C. Cummins 86. Social perceptions in nuclear waste dis posal. S. T. Hewitt, C. L. Consiglio, C. A. Hein, C. J. Hsu, R. J. Kucner, Μ. Η. Loh, N. C. Meenaghan, R. E. Michaud, S. W. Murphy, A. R. Patel, S. C. Reed, D. G. Rubin, P. J. Schwartz, M. E. Sheer, J. R. Starr III 87. Determination of PAHs in urban soil by ASE and GC-MS: Correlation with heavymetal levels. B. Le, H. Mielke, Κ. Smith, C. Gonzales, G. Wang 88. Electrochemical detection and study of monoamine oxidase. K. A. O'Connor, K. G. Olsen 89. Validity of radiocarbon ages of biogenic oxalate. R. D. Rickman, J. Russ 90. Isolation and identification of a possible pheromone from Cebrionidae scaptolenus. P. D. Voegel, N. Habu 91. Conductivity as a tracer of stormwater runoff in the Waccamaw River. R. Muno, N. Short, A. Potash 92. Effect of multivalent cations on RNA tri plex stability. S. K. Gill

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93. Forensic analysis of chewing gum. L. L. Plamondon, D. A. Perez, L. E. Zocco, H. T. McKone 94. Characterizing myoglobin binding to organosulfur SAMs using surface plasmon resonance. W. J. Lokar III, A. A. Decked 95. Analysis of hydrogen peroxide by fluores cence of hydroxybenzoic acid: Enhance ment by citrate. L. Kouassi, J. B. Weinstein-Lloyd 96. Bar soap from natural product extracts: Undergraduate experiment using the mi crowave oven and common supermarket products. B. W. Baldwin, S. A. Dahlhauser, E. A. Van Buren 97. MALDI-MS of hydrophobic and hydrophilic peptides. G. Breaux, K. B. GreenChurch, P. A. Limbach 98. Comparative study of oligonucleotide sample preparation for MALDI-MS. J. A. Ragas, T.. A. Simmons, P. A. Limbach 99. Studies of semisynthetic myoglobins as models for cytochrome CD1 nitrite reduc tase. M. S. Cohen, C. E. Immoos, P. J. Farmer 100. Introducing a low-temperature, normalpressure solution-phase synthesis of alkylcoated nanometer scale silicon clusters. J. H. Day, E. K. Hajime, D. E. Harwell 101. Synthesis and characterization of phosphonic acids. E. D. Brown, K. J. Donaghy Biochemistry 102. Molecular modeling of HIV protease in hibitors. C. Parish, T. Lyons 103. Analysis of peppermint leaf and spear mint leaf extracts by TLC. L. S. W. Pelter, Ε. Ε. Basista 104. Theoretical study of the ground state and excited states of benzazolo[3,2-a]quinolinium salts. A. E. Marrero, O. Cox, D. E. Bacelo, M. Cordero 105. Synthesis of a novel ureidopeptide HIV-1 protease inhibitor. A. C. Myers, M. A. Lipton 106. Study of the relation between aquatic transport and aquatic toxicity of a triazine herbicide using semiempirical and ab initio molecular modeling. R. L Phillips, E. A. Cioffi 107. Cytotoxicity and radiosensitization stud ies of potential bioreductive drugs using CHO cells. C. Vêlez, P. Maldonado, R. Torres 108. Using fluorescence spectroscopy for the determination of ligand-binding constants. E. F. Healy, C. Hadley, B. Mire 109. Stepwise methodology for recombinant production of proteins in the undergraduate laboratory. M. Kopecki-Fjetland, E. F. Healy, A. Barrera, A. Hunter 110. Integrated methodologies for protein isolation and characterization. E. F. Healy, N. Nolan III 111. Catalytic antibodies as herbicide-degrading agents. S. E. Sen, D. E. Hannemann, Q. Tang 112. Purification of an arginine ester hydrolase from Bitis gabonica rhinoceros venom by preparative isoelectric focusing. M. J. Simpson, R. L. Cate 113. Optimization of conditions for nondenaturing polyacrylamide gel electrophoresis of bacterial proteases. D. C. Lever, A. C. Carruth 114. Synthesis of a series of potential plant cholinesterase inhibitors. A. J. Catino, S. A. Van Arman, P. A. Leber, R. A. Fluck 115. Predicted 3-D structure for thermal hysteresis protein of Tenebrio molitor. K. L. Baran, R. B. Moreland, K. Kelly, J. D. Madura 116. Synthesis of the transdecalin lactone motif of the nagilactones. T. E. Nicolas, E. Tyson 117. Molecular determinants for cannabinoid activity. S. J. Blasiman, H. Traore Computational Chemistry 118. Construction of the Midshipman Online Laboratory System: Web-based analysis and feedback structure. J. F. Lomax, D. K. Dillner, M. A. Streib 119. Scientific visualization tool for stratospheric aerosol and gas experiment data. E. Youssef, L. Youssef, W. J. Rodriguez 120. Chemland interactive educational software. K. M. Stamm, W. J. Vining 121. Exploring the World of Plastics CDROM. M. S. Kosinski, R. S. Stein, W. J. Vining 122. Toolbutton data acquisition into spreadsheets for educational laboratories. C. A. Beasley, E. Vitz

123. Investigation of the hydrolytic dealkylation of methylselenones in aqueous solution by kinetic and computational methods. B. E. Arney Jr., J. Chandler, J. Moore, H. Cao, J. Miao 124. Computational study in Lewis acid activation of polymerization catalysts. J. W. Seyler, D. N. Windland 125. Visualizing nonpoint source pollution using GIS software. A. Potash, M. Thompson 126. Asymétrie synthesis of oc-hydroxyketones using a chiral dithiane directing group: A computational study. D. C. Lever, M. M. Muza 127. Using MOE/SVL to solve the PB equation and study protein electrostatics. E. S. Hampton, P. LaBute, J. D. Madura Organic Chemistry

147. Electrochemical nucleic acid probe. M. D. Guyton, S. C. Dorman, N. F. Campbell 148. Structure and oxo-transfer catalysis of (nitro)cobalt(lll)porphyrins. C. L. Brown, J. A. Goodwin 149. Catalytic transfer hydrogénation. A. M. Schoffstall, S. J. Coleman, S. E. Hightower 150. Semiempirical study of a zirconiumbased imine metathesis. J. W. Seyler, B. C. Ketcham 151. Hydroxamate ligands for Fe(lll). C. G. Gutierrez, C. L. Molina, H. M. Duong 152. Studies into the solution conformation of the siderophore enterobactin. C. G. Gutierrez, J. L. Burton, R. J. A. Ramirez, R. B. Amador 153. Triester derivative of enterobactin: A model to study preorganization in the free ligand. C. G. Gutierrez, A. M. Hassan 154. Synthesis of triquinoxalene spanned diols as intermiediates for larger host molecules. L. M. Tunstad, J. E. Nunez, S. W. Kang 155. Relative affinities of carboxylate anions for irans-Rh(PPh3)2(CO)+ measured via metathesis equilibrium with isothiocyanate ion. N. W. Hoffman, S. A. Miller, C. B. Morris, T. Cundari, A. Wierzbicki 156. Synthesis and characterization of triquinoxaline cavitand. L. M. Tunstad, M. Arias 157. Study of the elimination reactions of 2-substituted cyclohexyl sulfonates. A. J. Tuite, R. S. Mohan 158. New reagents for organic synthesis: Oxidation of α-hydroxy ketones to a-diketones using bismuth(lll) nitrate. S. A. Tymonko, R. S. Mohan 159. Discovery-oriented approach to organic chemistry: Epoxidation of p-methoxyfrans-p-methylstyrene (anethole). R. S. Centko, R. S. Mohan 160. Synthesis of new phosphonate functionalized polythiophenes. R. D. McCullough, K. Heuze, K. K. Stokes 161. Macroporous conducting polymers. A. J. Briskman, P. Jiang, K. Firestone, V. L Colvin

128. Synthesis of new Schiff bases: The reaction of 3-aminosulfolane with substituted salicylaldehydes. H. E. Dunn, D. A. Mosier 129. Synthesis of new N-substituted 3-aminosulfolanes by the reduction of the corresponding Schiff base. H. E. Dunn, B. P. Moore 130. Oxidation of alcohols using ruthenium cocatalysts. C. T. Lloyd, J. H. Wynne, G. L. Roberts 131. Asymmetric μ-nitrido dimolybdenum complex as a source for a reactive molyb denum tristhiolate fragment. T. Agapie, A. L. Odom, C. C. Cummins 132. Isolation and characterization of octacosyl ferulate from Erythrina lanceolata from Monteverde, Costa Rica. A. D. Jones, W. N. Setzer 133. Ab initio calculations of the nonlinear optical properties of cyanomethylene-2ylidene-1,3-dithiole compounds. S. M. Black, Β. Κ. Harris 134. Theoretical study of the conformers of ni troglycerine using semiempirical methods and density functional theory. Z. Moreau, A. Estrada, L A. Feliu, D. E. Bacelo 135. Investigation of nickel- and palladiumcatalyzed carbon-carbon bond-forming re actions utilizing trihaloaryl compounds. L. S. W. Pelter, E. E. Basista, N. D. Duke, D. D. Henderson, T. M. Lafata 136. Phytochemical analysis of Balanops australiana from Paluma, North Queens land, Australia. R. L. Peppers, M. B. McFerrin, W. N. Setzer 137. Cytotoxic quinone-methide triterpenoids from the bark of Salacia petenensis from Monteverde, Costa Rica. M. T. Holland, W. N. Setzer 138. Synthesis of α-fluoro carboxylate and phosphonate esters via stannyl radicalmediated cleavage of π-deficient heterocy clic sulfones. J. Khan, J. Rios, S. F. Wnuk 139. Theoretical study of microscopic solva tion of NH 3 in water clusters: NH 3 (H 2 0) n (n = 1-3). J. Cuevas, I. Cordova, D. E. Bacelo 140. Diastereocontrol in catalytic intermolecular cyclopropanation reactions: A study in copper catalysis. D. C. Forbes, E. J. Barrett, D. H. Bright, B. O. Ezell, S. M. Stinson 141. GC-MS analysis of derivatized carbonyls in air using 2,4,6-trichlorophenylhydrazine (TCPH). D. W. Lehmpuhl, A. K. Curless 142. Metal-hydrogen agostic interactions in olefin polymerization catalysts. J. W. Sey ler, L. Grove 143. 1 H- and 13C-NMR peak assignments for aspirin using molecular modeling and 2-D NMR. D. Bailey, K. Miller, H. F. Blanck 144. Real-time olefin monitor based on ozone chemiluminescent reactions. C. A. Blazer, N. A. Marley, P. J. Drayton, J. S. Gaffney 145. Watching how wax melts: Melting and premelting of alkane crystals studied with in situ atomic force microscopy. H. Vaswani, V. L. Colvin 146. Heterocyclic compounds via carbonyl radical cyclizations. R. C. White, R. Em mons, A. Yousef

L. Garrison, Organizer, Presiding 8:00-10:30


170. Lehigh University chapter of ACS stu dent affiliates. G. R. Gencarelli, V. V. Heredia, G. A. Vincent, S. M. Caroccia 171. Future generations: An outreach to youth through chemistry. K. J. Wibby, K. Metz 172. Chemical magical mystery tour. A. E. Burns, P. K. Kerrigan, R. Helmy, A. Grunseich, L Simon

Physical Chemistry 162. Using tunable diode lasers in under graduate research. R. J. Hoobler, R. V. Hull 163. Spectroelectrochemical examination of redox cooperativity in hemoglobins. S. Dorman, C. Kenny, J. Harrington 164. Mean field theory study of the influence of interparticle interactions on adsorption ki netics. W. J. Ceyrolles, J. Talbot 165. Development of transducers for an accoustic array. R. D. Stanelle, K. C. McGill 166. Modeling the lattice heat capacity contri butions of hafnium and zirconium oxides, nitrides and tellurides using the singleparameter phonon dispersion approach of Komada and Westrum. B. G. Kopek, D. A. Johnson, E. F. J. Westrum 167. Doppler free spectroscopy: Hyperfine structure of atomic lithium using intermodulated fluorescence. R. J. Hoobler, D. Nguyen 168. Semiempirical modeling and crystal structures of rhodium(l) Vaska complexes with bulky phosphines. N. W. Hoffman, C. B. Morris, S. A. Miller, A. Wierzbicki, T. Webb, T. Cundari 169. Electrochemical characterization of bio logical molecules for physical and instru mental laboratory courses. S. Dorman, P. Vest Fullerenes cosponsored with Division of Organic Chemistry (see page 116)

MONDAY EVENING Convention Center Exhibit Hall A Ballroom B/C

Sci-Mix Cosponsored with Society Committee on Education

173. Texas Wesleyan University SA: Promot ing chemistry. R. E. Rodriguez, Β. Ε. Jackson 174. UCSD student affiliates: Successful chapter activities. M. D. Shults, G. A. Buys 175. W. T. Schrenk Society is a successful student affiliate. E. A. Kulp, V. L. Kohlhepp, H. S. McKee 176. Chemistry Club on campus and in the community: Activities of the 1998-99 SIUE student affiliates chapter. K. A. Johnson, J. W. Westhoff, J. M. Arness, R. I. Bleier, M. R. Burgess, M. J. Shaw 177. National Chemistry Week carnival and chemistry at the mall projects. J. E. Reitz 178. SAACS fund-raising: Going once, going twice, sold at the auction! D. A. Johnson, M. A. Brady, J. B. Higgins 179. Focus on the chemistry in space. J. R. Jenkins, T. A. Morris, S. K. Airee 180. Synthesizing great "products." J. L. Colpo, S. R. Pazicni

Section A Doubletree Crescent A Chemistry and the Internet

Β. Μ. Tissue, Organizer, Presiding 8:30—Introductory Remarks. 8:35—181. Exploring the contents of the toolbox. R. S. Cole, J. W. Moore 9:05—182. Strategies for making the Internet more interactive. J. L. March, R. M. Ottosen 9:35—183. Midshipman Online Laboratory System: A web-published laboratory man ual with CGI-based feedback of analysis. J. F. Lomax, D. K. Dillner, M. A. Streib 10:05—184. Online data submission and the freshman chemistry laboratory. W. G. Van Der Sluys, T. M. Wignot, J. A. Koch 10:35—Intermission. 10:45—185. Daily homework system using Active Server Pages technology. G. V. Lo 11:15—186. Web-based chemistry courses at Harold Washington College. D. D. Leh man, T. B. Higgins, F. Thoet, E. Hines 11:45—187. Molecules for the people. J. M. Goodman


G. Subramanian, Presiding 8:30—Introductory Remarks. 8:35—188. World of Plastics: A CD-ROM for teaching about polymers at the highschool level. W. J. Vining, R. S. Stein, M. S. Kosinski, M. Hellen, V. Wilcox 9:00—189. Polymer module in the Materials World Module Series: A design-oriented approach to incorporating polymer chem istry in the general science curriculum of grades 9-12. S. T. Nguyen, R. P. H. Chang, J. K. Cocson, C. L. Colby, Κ. Ε. Miller 9:25—190. Incorporating polymers with spectroscopy in high school chemistry. M. G. Sibert


• •

CATALYSIS

Section C Doubletree Rosedown A&B M State-of-the-Art Symposium: Frontiers in Materials Based on Molecular Building Blocks

TUESDAY MORNING

*

9:50—191. Curriculum development workshop for high-school and community college educators. E. P. Douglas, P. H. Holloway 10:15—Intermission. 10:25—192. Teaching polymers to all levels using multimedia. M. Michalovic, L. J. Mathias 10:50—193. Integration of polymers into general chemistry at the college level. M. Zeldin 11:15—194. An integrated university/industry team approach to polymer science and engineering education. S. J. Clarson, M. S. Sabo 11:40—195. Experience with polymer chemistry in a distance learning environment. W. T. Winter



M MATERIALS

•

PETROCHEMICALS

•


K. Dunbar, Organizer, Presiding 8:30—196. Expanding coordination solids: A molecular approach to the synthesis of porous materials. J. R. Long, M. P. Shores, L. G. Beauvais, M. V. Bennett 9:20—197. Excising clusters from solids: Controlled demolition precedes reconstruction. T. Hughbanks 10:10—Intermission. 10:20—198. Magnets from molecules. J. S. Miller 11:10—199. Building-block approach to magnetic materials: From mononuclear complexes to clusters, and ultimately to ordered solids. K. R. Dunbar

3:50—212. Polymer laboratory course for se niors and graduate students. S. Krause 4:15—213. Potentials for including siliconbased polymers in the undergraduate cur riculum. J. J. O'Brien 4:40—214. Development and implementa tion of a new industrial internship program in polymer synthesis and processing. D. R. Tyler, D. C. Johnson

Section C Doubletree Rosedown A&B Division of Chemical Education 75th Anniversary Symposium

A. W. Kozlowski, Presiding 1:30—Introductory Remarks. 1:35—215. Crystallizing classroom chemists: From isolated disorder to organized inter action in the teaching of chemistry. J. J. Bohning 2:10—216. Visions, achievements, and roads not taken during CHED's early years. T. Benfey 2:45—217. Keeping an old journal young. J. W. Moore 3:10—Intermission. 3:20—218. Quality assessment materials: CHED tradition. I. D. Eubanks, L. T. Eubanks 3:45—219. Summer madness: The biennial conferences on chemical education. A. T. Schwartz 4:10—220. Don't just tell me, tell your col leagues! E. A. Moore 4:35—221. New commitments: 1978 longrange planning conference. J. A. Bell

TUESDAY EVENING Doubletree International Ballroom

TUESDAY AFTERNOON Section A Doubletree Crescent A

Poster Session

5:15-7:15 Memorabilia and Reminiscences from the Division's Past

Making the Best of the Large Lecture Environment

A. W. Kozlowski, Organizer

R. Kerber, Organizer, Presiding

222. Founding of the Division of Chemical Education. A. W. Kozlowski 223. Officers of the Division of Chemical Ed ucation. A. W. Kozlowski 224. ACS exams: CHED members make it possible. L. T. Eubanks, I. D. Eubanks 225. Biennial conferences on chemical edu cation: Memories and memorabilia. A. T. Schwartz 226. What makes a 21st Century journal? J. W. Moore, E. A. Moore 227. CHED News: The road to a 100-page monster. E. Moore 228. National meetings through the decades. A. W. Kozlowski 229. Earlier histories of the Division of Chem ical Education. A. W. Kozlowski 230. Awards received by the Division of Chemical Education. A. W. Kozlowski 231. Alyeaisms from the 197th ACS National Meeting. D. A. Katz

1:30—Introductory Remarks. 1:35—200. Teaching/learning environment in a large lecture format. J. J. Lagowski 2:00—201. Do big lectures equal big opportunities? H. E. Pence 2:25—202. Aggregation of student groups in large general chemistry lectures catalyzed by concept quizzes. M. Z. Hoffman 2:50—203. How do I know that they know what I think they should know? How do they know that they know what I think they should know? ConcepTests in large lecture courses. C. R. Landis, G. E. Peace Jr., J. W. Moore 3:15—Intermission. 3:25—204. Mass enlightenment via the threefold way. D. A. Davenport 3:50—205. Using technology to make teaching chemistry possible. F. J. Torre 4:15—206. Integrated classroom: Lecture, laboratory, computers, and general chemistry. C. A. Bailey, G. A. Neff, M. Scholefield


Teaching Polymers at All Levels, Kindergarten to Graduate School

S. Krause, Organizer, Presiding 232. Polymer kit for grades K-3. M. I. Kohan, J. H. Carey 233. Industrial processes of polymers: How are toys made? M. E. Harris 234. Polymer kit for ninth-grade physical sci ence. M. I. Kohan, C. C. Newsom

L. J. Mathias, Presiding 1:30—Introductory Remarks. 1:35—207. Teaching concepts in polymers (and not content). M. Srinivasarao 2:00—208. Development and innovations in teaching physical polymer science. L. H. Sperling 2:25—209. Teaching a practical course in design with plastics. J. G. Williams 2:50—210. Use of polymers in undergradu ate labs at Missouri Western State. A. S. Wallner 3:15—Intermission. 3:25—211. Experiments in polymer physical chemistry. J. G. Williams

General

K. Kulinowski, Organizer, Presiding 235. Exploring laser generation using a Mathcad-based module. M. A. Vaksman 236. Graphical solutions of Schroedinger's equation. D. G. Miles Jr., T. A. Francis 237. Computer use in physical chemistry: A survey. D. G. Miles Jr., T. A. Francis, T. J. Zielinski 238. Bonding in molecules and ions: An al ternative model. S. L. Smadja 239. Using guided inquiry to study optical ac tivity and optical rotatory dispersion in physical chemistry lab. M. A. Vaksman, J. W. Lane 240. Thermodynamic language in the labora tory. S. Flores-Almazân, L. CervantesEspinosa, G. Sanchez-Salinas 241. Analyzing cigarette smoke using infrared spectroscopy. W. A. Burns, R. R. Lester 242. Computer applications in the undergraduate physical chemistry laboratory—I: Thermodynamics. C. L. Watkins, D. G. Miles Jr. 243. Computer applications in the undergraduate physical chemistry laboratory—II: Structure and bonding. T. P. Hamilton, C. L. Watkins 244. Use of the APL programming language for solutions to chemical graph theoretical problems in the undergraduate curriculum. I. J. Levy, A. T. Chevalier, J. O. Egan III, T. J. Kratz, E. A. Pino, L. M. Stetson 245. Suite of undergraduate laboratories focused on surface and interface science. K. G. Severin, G. J. Blanchard, M. L. Bruening 246. Bayou water quality analysis using Tl CBL systems. J. V. Chauvin, D. Berryhill, N. Waguespack, V. Langland, G. V. Lo 247. Incorporating Tl CBL systems into undergraduate analytical chemistry laboratories. J. V. Chauvin, J. Aucoin 248. Changing teaching practice: Optimal strategies based on research. D. L. Penberthy, S. B. Millar, J. C. Wright, S. A. Kosciuk 249. Using writing portfolios in a general chemistry course. C. Hopkins, C. Middlecamp 250. Name game: An educational tool for all class types. M. C. Koether 251. Assembling a "baloney detection kit": Teaching skeptical thinking skills to general chemistry students. E. K. Haub 252. Chemistry is a universal science: Do we teach it that way? J. M. Hayes, P. L. Perez 253. Visualization in an integrated college science curriculum: Molecular concepts for chemistry in a biological context. V. Bragin, J. Bragin 254. How to make change happen. J. Lewis, B. Spencer 255. Research experience for general chemistry students. W. F. Wacholtz, C. P. Gibson 256. Enhanced general chemistry lab using cooperative learning, project-based experiments, and computers. S. M. Black 257. Integrated lab-lecture in the general chemistry sequence: A three-semester study. K. Pariyadath, M. L. Fetterolf, J. G. Goldsmith, T. Moore 258. Working with chemistry: An inquirybased laboratory program for general chemistry. J. Ellefson-Kuehn, D. J. Wink, S. Fetzer Gislason 259. Assessment of laboratory reform and student learning in chemistry for the applied sciences. R. M. Miller, M. J. Wallace 260. Integrating "workshop chemistry" into the general chemistry lecture and laboratory. J. A. Goodwin, B. D. Gilbert, L. F. Ross 261. XPLOR learning cycles: Guided inquiries for consumer products. J. Hostettler 262. New perspective on visualizing Fischer projections. L. S. Starkey 263. Developing abilites to visualize chemical phenomena: Molecular, macroscopic, symbolic. J. W. Russell, J. Geno 264. Solution conformation of substance P: A combined FT-NMR and molecular modeling project for biochemistry. V. L. H. Bevilacqua, M. A. Hawks, E. A. Thames, L. Padolsky, J. Powers, D. P. Hurst, P. H. Reggio 265. Comparison of two teaching tools: Chalk and Powerpoint. S. Cheng


JULY 26, 1999 C&EN 7 7

CHED/CHAS/CINF/TECHNICAL PROGRAM

266. Active learning with projects in the or ganic laboratory. C. N. Hammond, J. R. Mohrig 267. Inquiry-based experiments for the or ganic and inorganic laboratories. M. W. Pelter, M. F. Ryan 268. Virtual prelab for organic chemistry. F. J. Creegan 269. Systematic study of the Grignard reac tion focused on the guided-inquiry ap proach. I. Montes, M. Malendez, Ζ. Diaz 270. Application of Raoult's law to flashpoint determination of binary mixtures: A labora tory experiment for environmental chemis try. D. A. Robbins, F. M. Mulcahy, A. M. Robbins, J. J. McAllister 271. Native American Science Outreach Net work: A program for teachers of Native American students. S. Selfe 272. Who's hiring, and what they're looking for: A survey of newspaper chemistry want ads. K. L. Headrick 273. Use of the Internet to teach pharmacy in Kuwait. B. J. Denny

WEDNESDAY MORNING Section A Doubletree Crescent A Making the Best of the Large Lecture Environment

R. Kerber, Organizer, Presiding 8:30—Introductory Remarks. 8:35—274. First semester general chemistry. A. Tenney 9:00—275. Tobias experiment: Methods for motivating students in lecture. G. G. Stanley 9:25—276. Problem sets and oral presenta tions for large lecture courses. P. A. Metz 9:50—Intermission. 10:00—277. Activities, groups, and web re sources for a large enrollment lecture course. M. M. Cooper 10:25—278. Do-it-yourself online homework . for the large lecture course. T. A. Holme, L. S. Fisher 10:50—279. Organic workshop project: Peer-led team learning. J. A. Kampmeier, P. Varma-Nelson, D. K. Wedegaertner

Section Β Doubletree Crescent Β Assessment of Program and Instructional Innovations: How To Tell What Works

C. Bowen, Organizer, Presiding 8:30—Introductory Remarks. 8:35—280. Assessment: The president and the chemist. M-B. Krogh-Jespersen 9:00—281. Assessment of a general chemis try course for a freshman engineering cur riculum. D. E. Nikles 9:25—282. Focus-group study of student ex periences in a new undergraduate engi neering curriculum. L. S. Brown, M. C. Clark, S. Foumier-Bonilla 9:50—283. Programmatic assessment of sci ence and mathematics in general educa tion at James Madison University. R. E. Rice, D. L. Sundre 10:15—Intermission. 10:25—284. Assessment of the integrated general chemistry project at California Polytechnic State University. G. A. Neff, C. A. Bailey, M. Scholefield 10:50—285. Incorporation and evaluation of project-based laboratories into the under graduate and graduate curriculum. M. M. Richter 11:15—286. Mock job interviews to assess student learning outcomes. L. S. Starkey, P. S. Beauchamp

Section C Doubletree Rosedown A&B Chalk, Computers, and Chemistry: The Tools of Teaching

9:30—289. What difference does it make? Assessing the effects of the molecular sci ence project learning strategies. A. A. Russell, P. J. Kellman 9:55—290. Relating chemical representa tions to enhanced conceptual understand ing. P. A. Wegner, S. Emory, T. Vo 10:20—Intermission. 10:30—291. Using laptop computers in the general chemistry classroom. J. R. Appling 10:55—292. Computerized testing in the gen eral chemistry program at the University of Georgia. C. H. Atwood, J. A. Caughran 11:20—293. Online collaborative computa tional chemistry projects. D. M. Whisnant, L. S. Lever, J. J. Howe

WEDNESDAY AFTERNOON Section A Doubletree Crescent A NSF-Catalyzed Innovations in the Undergraduate Laboratory

D. B. Stone Jr., R. K. Boggess, Organizers D. B. Stone Jr., Presiding 1:30—Introductory Remarks. 1:35—294. NSF programs in support of un dergraduate education. S. H. Hixson 1:55—295. Renaissance in Raman spectros copy: New opportunities for undergraduate instruction. N. C. Craig, R. Q. Thompson 2:15—296. Many faces of fluorimetry: DNA to porous silicon. B. De G raff Jr., L. M. Christianson, D. Lasher, B. Augustine 2:35—297. Laser fluorescence in the under graduate curriculum: Solvent polarity and spectroscopy! J. K. Rice, J. M. Lo Bue 2:55—298. Scanning probe microscopy nanolaboratory development project and beyond. W. S. Glaunsinger, B. L. Ramakrishna, A. A. Garcia, V. Pizziconi 3:20—Intermission. 3:30—299. Computational chemistry in the physical chemistry laboratory: A "wet" lab/ "dry" lab experience. M. E. Karpen, J. Henderleiter, S. A. Schaertel 3:50—300. Modern electrochemistry for un dergraduates. G. N. Holder 4:10—301. Role of GC-MS in curricular de velopment. K. G. High, S. A. Petrich, K. M. Whittington, L. L. Eisinger 4:30—302. Impact of GC-MS on the chemis try curriculum at Western Carolina Univer sity. R. S. Woosley, C. A. Atterholt, J. R. Bacon, D. J. Butcher


C. W. Bowen, Presiding 1:30—Introductory Remarks. 1:35—303. Using the grading process for as sessment of student learning outcomes in chemistry. J. Denton, E. Yakali 2:00—304. Assessment of the impact of a chemistry reform initiative based on the analysis of longitudinal student records. S. A. Kosciuk 2:25—305. Does computer use improve or diminish learning in chemistry laborato ries? E. Vitz, B. Egolf 2:50—306. Assessment of an instructional web site: What are the learning and effec tive outcomes? G. C. Weaver, M. V. Gold man, K. Beck, D. Rea 3:15—Intermission. 3:25—307. Assessing student views and work in a writing-intensive senior seminar. A. S. Wallner, E. Latosi-Sawin 3:50—308. Chemistry is in the news: Imple mentation and assessment of an authentic learning activity. R. E. Glaser, D. L. Hume 4:15—309. Assessment of laboratory pro grams: A novel analysis of laboratory practical examinations. J. P. Suits


C. H. Atwood, Presiding 1:30—Introductory Remarks. 1:35—310. Use of the web to overcome the vaccination theory of education. G. M. Bodner, S. Holladay, W. J. F. Hunter 2:00—311. Creating highly interactive multi media for chemistry. S. D. Solomon, M. Oliver-Hoyo 2:25—312. Molecular level laboratory activi ties: A work in progress. M. R. Abraham 2:50—313. Interactive multimedia using mo lecular visualization: No pain, no gain. R. F. Tasker 3:15—Intermission. 3:25—314. Selected approaches for using computers in organic chemistry instruc tion. B. L. Iverson 3:50—315. CD-ROM-based interactive tutor as a pedagogical tool for the learning of mechanisms in organic chemistry. A. L. Smith, V. M. Rotello, D. Bak, W. J. Vining 4:15—316. Note-taking and computer-based lectures. T. A. Holme 4:40—317. Answering the question "How do I know what to study?" R. S. Cole, J. W. Moore, B. V. O'Grady, R. M. Ottosen, M. L. Miller

THURSDAY MORNING Section A Doubletree Crescent A NSF-Catalyzed Innovations in the Undergraduate Laboratory

R. K. Boggess, Presiding 8:30—Introductory Remarks. 8:35—318. Technology as a discoverybased learning tool in the chemistry class room. V. M. Bragin 8:55—319. Open-ended, student-driven lab oratory experiments that integrate molecu lar modeling, synthesis, and characteriza tion. K. J. Brewer, M. R. Jordan, E. R. Bullock 9:15—320. Long-distance research and edu cation in X-ray crystallography at the W. M. Keck Foundation Center for Molecular Structure. K. A. Kantardjieff 9:35—321. Incorporation of FT-NMR in the undergraduate curriculum. D. G. Farrar, C. T. Eagle, G. N. Holder 9:55—322. Synthesis and structural investi gation of dipeptides in the organic labora tory for undergraduate students. R. Warmuth, K. J. Langenwalter, P. C. Sill 10:15—Intermission. 10:25—323. Building an environmental chemistry area of emphasis at Coastal Carolina University. S. M. Libes 10:45—324. Innovative industry-based labo ratory activities. J. V. Kenkel, P. B. Kelter 11:05—325. Organic structure determina tion: A general education course. S. C. Clough, E. W. Goldman 11:25—326. Using ion chromatography to characterize aquatic systems in chemistry and biology. K. Sinniah, K. Piers


C. W. Bowen, Presiding 8:30—Introductory Remarks. 8:35—327. Seniors assess the impact of an active-learning chemistry course they took as freshman. S. A. Kosciuk, S. B. Millar 9:00—328. Effectiveness of ConcepTests with students of varying abilities within a chemistry lecture. D. M. Bunce

J. Banks, Organizer, Presiding 8:30—Introductory Remarks. 8:35—287. Tools for chemical education. J. J. Lagowski 9:05—288. Using RealVideo and SMIL to produce interactive streaming video for the WWW. J. I. Gelder

7 8 JULY 26, 1999 C&EN


9:25—329. Using class interviews to assess and enhance instructor's effectiveness in chemistry. C. W. Bowen, M. M. Cooper 9:50—330. Focus-group interviews to collect in formation to enhance textbook development in chemistry. M. Cooper, C. W. Bowen 10:15—Intermission. 10:25—331. So "this" is college? First-term intervention and student success. D. J. Wink, B. J. Zusman 10:50—332. Progress evaluation of the ChemConnections modular approach. J. Gutwill, E. Seymour 11:15—333. Formative assessment research of innovative courses, curricula, and teaching strategies in chemical education: What does relevant research tell the chemistry teacher? U. Zoller


T. A. Holme, Presiding 8:30—Introductory Remarks. 8:35—334. Role of computers in an integrat ed studio classroom. M. Scholefield, C. Bailey, G. A. Neff, B. Baker 9:00—335. Helping students visualize 3-D datasets: Atomic orbitals. T. A. School craft 9:25—336. Molecular visualization: A library of computer models, Java-based tools, and viewers for chime. A. E. Baucom, H. G. Ungar, L. Calciano 9:50—337. Solutions to the 1-D Schroedinger equation for an arbitrary potential employ ing the Numerov method using the Mathcad software package. S. H. Young, A. Wierzbicki 10:15—Intermission. 10:25—338. Kids and chemistry via televi sion and computer. M. G. Hankins 10:50—339. Examining a chemistry profes sor's teaching toolbox: Selecting and us ing the appropriate technological tools. L. J. Archer 11:15—340. Analog-digital computer inter faces in the chemistry teaching laboratory. M. T. Gallardo, R. F. Benson 11:40—341. Integrating computers in the general chemistry laboratory: Disguising curriculum reform in the sheep's clothing of technology. M. J. Sanger • Computer Software for Environmental Chemistry Education cosponsored with Division of Environmental Chemistry (see page 90)

THURSDAY AFTERNOON Section A Doubletree Crescent A Laboratory Activities

K. Kulinowski, Organizer, Presiding 1:15—342. Paper chemistry: An experiment for nonscience students. R. W. Kugel 1:35—343. Experiments involving computer ized data acquisition and analysis: Innova tive chemistry with connections to biology and mathematics. F. T. Schaefer, K. E. Walker, M. Shahin 1:55—344. Comparing properties of materi als for cookware. H. D. Schreiber, E. M. Powell 2:15—345. Concerning the similarity of reac tion channels for the solvolysis of car bamoyl and thiocarbamoyl chlorides. M. J. D'Souza, T. M. Rudolph, D. N. Kevill 2:35—346. 3-D animated reactions. G. Fels 2:55—347. Interesting GC-MS experiment for an instrumental analysis laboratory course. K. O. Zahir 3:15—348. Microscale chemical and electro chemical remediation of gases. J. G. Ibanez, E. Garcia, J. Topete, C. Miranda

Section B Doubletree Crescent Β

SOCIAL EVENT: Dinner, Mon

Education Technology Κ. Μ. Kulinowski, W. J. Vining,

BUSINESS MEETING: Tues

Organizer

Presiding

MONDAY MORNING

1:15—349. Interactive CD-ROM for organic chemistry. D. L. Casher, V. M. Rotello, W. J. Vining 1:35—350. Software module for studying crystal energetics. R. P. Grosso, W. J. Vining 1:55—351. Working the numbers: A webbased method for collection and dissemi nation of class data. D. B. Exton 2:15—352. Encouraging student-active learning with technology. W. J. Vining 2:35—353. Tools of the trade: Customizing technology to a course. C. A. Bailey 2:55—354. Empower: Taking technology to middle school science and math classes. A. J. Banks, D. G. Haase, J. C. Park, L. L. Grable, N. S. Ragan 3:15—355. The e-vacancy folding periodic table. R. J. Schroeder

Section C Doubletree Rosedown A&B Chemical Education Developments

Κ. Μ. Kulinowski, Organizer C. Parish, Presiding 1:15—356. Attracting and retaining minority students in the sciences. J. E. Ledbetter, P. Tran 1:35—357. Outreach programs for elemen tary- and middle-school students sponsored by high-school teachers and students. M. S. Christoph 1:55—358. Experiences in developing a grassroots science outreach program in industry. J. W. Lyga, D. W. Keifer 2:15—359. Chemistry writing colleagues: A systematic approach for developing stu dent communication skills. C. Parish 2:35—360. Formative evaluation of a module in general chemistry to be used in a coop erative environment. M. M. Martinez, E. C. Balocchi, R. F. Ceron 2:55—361. Ten years of mastery learning in organic chemistry. J. C. Williams Jr. 3:15—362. Method to enhance learning in physical chemistry. L. Tilstra 3:35—363. Classification of general chemis try compounds by science majors. M. Camacho

CHAS DIVISION OF CHEMICAL HEALTH & SAFETY K. P. Fivizzani, Program Chair

Section A Convention Center Exhibit Hall Β Poster Session Complying with the OSHA Laboratory Standard

P. C. Ashbrook, Organizer, Presiding 9:00-11:00


MATERIALS PETROCHEMICALS PHARMACEUTICALS, MEDICINE & BIOLOGICAL CHEMISTRY

General Session Reconstruction of Laboratories Cosponsored with Committee on Science

R. McDiarmid, Presiding 1:30—22. Emerging trends in lab design. P. R. Rittelmann 1:55—23. Laboratory construction costs, safety, and performance. J. S. Baum 2:20—24. Code compliance and chemistry. S. C. Hackman 2:45—25. Outsider's evaluation of report: EHS considerations. A. M. Norberg 3:10—Panel Discussion. 3:55—Intermission. 4:05—26. Working with a chemical safety consultant. N. Langerman 4:30—27. First aid for a unique acid: HF, a sequel. Ε. Β. Segal 4:55—Intermission. 5:00—Division Business Meeting.

CHAS Awards Symposium

W. K. Kingsley, Organizer, Presiding 1:30—9. Development of communications for members of the Division of Chemical Health & Safety. W. K. Kingsley 1:55—10. Award Address (TillmannsSkolnick Award). Marketing chemical safe ty. S. Moon 2:20—11. Award Address (University Safe ty Award). Chemical safety program at Francis Marion University. T. W. Ragsdale, B. L. Hankinson 2:45—Intermission. 2:55—12. Field and laboratory studies on la tex allergy. B. J. Meade 3:20—13. Partnership in research: Expos ure-assessment methods. M. L. Woebkenberg 3:45—14. Award Address (Howard Fawcett Chemical Health & Safety Award). The National Occupational Research agenda: Future directions and challenges. L. Rosenstock

CINF DIVISION OF CHEMICAL INFORMATION

Convention Center Exhibit Hall A

1-8. See previous listing.

TUESDAY MORNING Section A Convention Center Room R06 Reconstruction of Laboratories Cosponsored with Committee on Science

11:20—5. Use of Markush structure-analysis techniques for rapid processing of large combinatorial libraries. R. D. Brown, G. M. Downs, J. M. Barnard

SUNDAY AFTERNOON Convention Center Room 220 • Combinatorial Chemical Information Cosponsored with Division of Computers in Chemistry

R. Snyder, Presiding 1:30—Introductory Remarks. 1:40—6. Penalty-biased diversity: Design of diverse, druglike libraries. M. Waldman, M. Hassan 2:20—7. Lead-hopping and library-hopping by topomer shape similarity searching of vast virtual libraries. R. D. Cramer, K. Andrews-Cramer 3:00—8. Creating maximal diversity in an HTS library: A statistical approach. J. T. Pedersen, A. M. M. Joergensen, P. F. Nielsen 3:40—9. Simple method to simultaneously increase diversity and favorably enrich the content of chemical libraries. H. O. Villar, S. L. Dixon, R. T. Koehler 4:20—10. Integrated informatics for library design and analysis. T. Mitchell

MONDAY MORNING Section A Convention Center Room 220 Integration of Primary and Secondary Literature on the WWW

C. Huber, Organizer, Presiding 8:25—Introductory Remarks. 8:30—11. New chemical information environment. H. F. Boyle, S. A. Barclay 9:00—12. Linking between content providers: The ISI experience. C. Leonard 9:30—13. Creating and maintaining dynamic links between database citations and their corresponding full-text files. M. Tibbetts 10:00—14. LitLink: Dynamic linking of the primary and secondary literature. S. Young 10:30—15. Integrating primary and secondary literature: Patents vs. journals. B. F. Corish, J. Clovis 11:00—16. Authors' e-mail address and URL to be added to chemical abstracts. S-K. Lin

Section Β

A. H. Berks, Program Chair


SUNDAY MORNING

• Combinatorial Chemical Information Cosponsored with Division of Computers in Chemistry

Convention Center Room 220 • Combinatorial Chemical Information Cosponsored with Division of Computers in Chemistry

R. Snyder, Organizer, Presiding

MONDAY EVENING

K. P. Fivizzani, Organizer

ENVIRONMENTAL ISSUES

Section A Convention Center Room R06


8:00-10:30

CHEMISTRY à COMPUTERS

Safety Issues in the Workplace cosponsored with Division of Chemical Technicians (see page 81)

TUESDAY AFTERNOON

1. Implementation of the OSHA laboratory standard at the University of Illinois, Urbana-Champaign. P. C. Ashbrook, T. A. Houts 2. Chemical hygiene plan in gross anatomy lab. J. M. Lapierre 3. Becoming a certified chemical hygiene of ficer. R. H. Hill Jr., D. L. Ross, G. E. Smith 4. What is and is not superseded by the lab standard's supersede clause? L. A. Swihart 5. Safety education and training: Which style is most effective? L. A. Gonzalez, R. G. Hopler 6. Applying the lab standard to housekeepers and maintenance employees. J. M. La pierre 7. Lessons learned from laboratory lapses. R. H. Hill Jr., R. J. Green 8. Model chemical hygiene plan and associ ated multimedia training. E. Talley, A. Ruffing

Sci-Mix

AGRICULTURAL CHEMISTRY CATALYSIS

9:20—17. Administrative responsibilities and opportunities in laboratory construction and renovation projects. R. E. Burnett 9:45—18. Experiences of an experienced consumer of architectural services. L. A. Phelan 10:10—Intermission. 10:20—19. Lab buildings and people: Bidi rectional interactions. P. J. Bruns 10:45—20. Planning, design, and construc tion of the Roy & Diana Vagelos Laborato ries at the University of Pennsylvania. A. B. Smith III 11:10—21. Designing the process. M. Rea gan

8:30—Introductory Remarks. 8:40—1. Chemistry first: Accord solutions to nontrivial enumeration problems. K. A. Harrington, J. Hayward 9:20—2. Where are the GaPs? A rational ap proach to monomer selection. D. B. Judd, A. Good, M. M. Hann, D. V. S. Green, A. R. Leach 10:00—3. Reagent selector: A decisionsupport approach to reagent library de sign. D. R. Henry, A. J. Gushurst, M. Bronzetti, D. Pirkle, R. Coad, R. Winter, A. Nguyen, C. Nguyen, T. E. Moock, A. G. Ôzkabak, J. A. Turner 10:40—4. Virtual optimization of chemical libraries using genetic algorithm. M. Hann, A. Feriani, A. Leach, A. Pozzan

T. Wright, Presiding 8:30—Introductory Remarks. 8:40—17. Novel methods for assessing and comparing the diversities of chemical li braries. R. S. Pearlman, X. C. Wang, Y. Su, M. Green 9:20—18. Combinatorial library design and diversity analysis. Y. Su, M. Green, X. C. Wang 10:00—19. Integrated structural, synthetic, and analytical CombiChem informatics. D. Chapman 10:40—20. SLIMS: A web-based solution for sample, structure, and spectral manage ment. A. Karezin, V. Kulkov, A. J. Wil liams 11:20—21. Combinatorial chemistry: Integra tion with the research environment. M. Bronzetti, R. Banga, C. H. Bennett, L. Davies, D. A. Evans, A. P. Lemon, G. I. Matzaras, S. M. Welford

R. McDiarmid, Organizer, Presiding 8:30—15. Laboratory design, renovation, and construction. R. McDiarmid 8:55—16. Report of the NRC committee on laboratory facilities. J. I. Brauman


JULY 26, 1999 C&EN

79

CINF/TECH/CHAL/COLL/TECHNICAL PROGRAM

MONDAY AFTERNOON Section A Convention Center Room 220 Alternative Careers in Chemistry Cosponsored with Younger Chemists Committee

A. Twiss-Brooks, Organizer, Presiding 1:00—Introductory Remarks. 1:05—22. Employment and marketability: ACS Career Services and you. J. A. Parr 1:35—23. Strategic partnering for knowledge management. S. P. Cristina 2:05—24. Study of applied organic chemistry in graduate school and at a remote univer sity. F. S. Schultz 2:35—25. Managing dynamic chemical infor mation environments in industry. K. P. Schreiber 3:05—26. Look! Up in the sky! It's a chemist! It's a librarian! It's both! F. B. Culp 3:35—27. From laboratory to law office: A career as a patent attorney. A. Varmas 4:05—Division Business Meeting. 4:20—Intermission. 4:30—Open Meeting: Committees on Publications and on Chemical Abstracts Service.

Section Β Convention Center Room 217 • Combinatorial Chemical Information Cosponsored with Division of Computers in Chemistry

9:30—40. Chemical registries: In the fourth decade of service. R. E. Buntrock 10:00—41. Markush structure searching over the years. E. S. Simmons 10:30—42. History of cross-file and multifile searching of online patent databases. N. E. Lambert 11:00—43. End-user searching: The roads we've travelled and where we're headed now. P. L. Dedert • Chemical Information Resources for Small Business cosponsored with Division of Small Chemical Businesses (see page 141)

TUESDAY AFTERNOON Convention Center Room 220 Changing Chemical Information Scene: Keeping and Nurturing the Baby as the Bathwater Rushes By (Skolnik Award Symposium)

S. M. Kaback, Presiding 2:00—Introductory Remarks. 2:05—44. Exxon's database for organizing and analyzing patent records. S. S. Unger 2:35—45. CAS database: Growing with the chemical sciences and electronic-infor mation technology. M. J. Toussant, D. W. Weisgerber 3:05—46. Reinventing the Derwent abstract. T. Miller 3:35—Intermission. 3:45—47. Teaching computers to index. D. K. Slaughter, H. M. Allcock 4:15—48. Economic analysis of trends in the chemical information sector. R. J. Massie

R. Delmendo, Presiding 1:30—Introductory Remarks. 1:40—28. Automated laboratories for highdensity microplate screening: Merging novel and traditional technologies. F. E. Leichtfried 2:20—29. Application of version spaces to the analysis of high-volume structureactivity relationships. C. J. Blankley Sr., G. S. Cowan Jr. 3:00—30. High-throughput screening soft ware tools for analytical spectroscopy. A. J. Williams 3:40—31. Managing combinatorial data in Excel. M. Swartz, H. Helson


A. H. Berks, Organizer, Presiding 8:00-10:30 32. Water-quality information system for the lower Mississippi River. W. J. George, J. E. Bollinger, B. Belkhouche 33. Generation of VRML for use in 3-D chem ical structure display on the Internet. M. He, J. Zhou 34. Recent advancements in the develop ment of Seneca, a computer program for computer-assisted structure elucidation based on a stochastic algorithm. C. Stein beck 35. Implementation of Chinese drug-data base-searching system. J. Zhou, M. He 36. Modular chemical descriptor language and unique structure representation. A. A. Gakh, A. C. Buchanan III, M. N. Burnett 37. Bioinformatics in the CAS databases. A. Mohindru, E. M. Hedrick, L. W. Collins 38. ChemlDp/us: An experimental public chemical information and structure search system. G. F. Hazard Jr., V. W. Hudson, P. M. Liwanag 54, 75, 76. See subsequent listings.

TUESDAY MORNING Convention Center Room 220 Changing Chemical Information Scene: Keeping and Nurturing the Baby as the Bathwater Rushes By (Skolnik Award Symposium)

S. Kaback, Organizer, Presiding 8:45—Introductory Remarks. 8:50—39. Award Address. A 40-year count down to the millennium. S. M. Kaback

8 0 JULY 26, 1999 C&EN

Section Β Convention Center Room 216 Numeric Chemical Information

S. Heller, Organizer, Presiding 1:30—Introductory Remarks. 1:35—62. Uniformity and the new protein data bank. G. L. Gilliland, P. Fagan, J. Westbrook, H. Berman, P. Bourne, P. Arzberger 2:05—63. Evaluation of the NIST/EPA/NIH mass spectral library. S. E. Stein, P. Ausloos, C. L. Clifton, J. K. Klassen, S. G. Lias, D. Zhu, V. Zaikin, D. V. Tchekhovskoi, O. D. Sparkman, A. I. Mikaya 2:35—64. Web-based access to structurebased prediction and databases for spec troscopy and physical propereties. V. Kulkov, A. J. Williams 3:05—65. Generating numeric chemical in formation from chemical structures during chemical registration. P. McHale, C. S. McKenna 3:35—66. Numerical data in the Beilstein file under CrossFire. H. Nguyen, A. J. Lawson, G. Ilchmann 4:05—67. Dimensionality and classification considerations in pattern recognition: Demonstration of a novel efficient proce dure. N. J. Santora

THURSDAY MORNING Convention Center Room 220 Web-Based Deployment of Info Management Tools

O. Guner, Organizer, Presiding WEDNESDAY MORNING Convention Center Room 220 Recent Developments in Markush and Patent Searching

A. Trippe, Organizer, Presiding 8:25—Introductory Remarks. 8:30—49. Searching Markush structures in the MARPAT database. G. K. Ostrum 9:00—50. MMS, the Markush structure file for the chemical patents community. P. Borne, M. P. O'Hara 9:30—51. Markush patents at the start of the 21st century: Doing it the Derwent way. G. Cross, P. Sayer, T. J. Miller 10:00—52. Color-coding system for simplify ing IFI chemical fragmentation code search ing. A. J. Trippe 10:30—53. Finding Markush structures using IFI fragmentation. D. K. Slaughter, H. M. Allcock 11:00—54. Patents in combinatorial chemis try. A. H. Berks

WEDNESDAY AFTERNOON Section A Convention Center Room 220 Management of Reaction Information for the Synthetic Chemist

G. Grethe, Organizer, Presiding 1:25—Introductory Remarks. 1:30—55. Reaction information for the prac ticing synthetic chemist: Data, problems, and solutions. G. Grethe 2:00—56. Tracking reaction pathways in pub lished chemical literature. A. J. Lawson 2:30—57. Insight, access, and content: Schemes for making the most of reactionbased chemical information. K. A. Har rington, J. Hayward 3:00—58. Integrated protocol management in combinatorial synthesis. J. C. Phelan 3:30—59. Finding the winning reactions in reaction databases. R. L. Swann 4:00—60. Distribution of synthetic tech niques in the chemistry literature. M. Clark 4:30—61. Synthetic information in patents: An underused resource. T. J. Miller, G. Cross, P. Sayer, D. G. Penn

4:00—81. Information services on the intra net: Where we are and where we want to go. K. A. Brandt, J. L. Witiak

8:30—Introductory Remarks. 8:35—68. Cheminformatics and the Internet. O. F. Guner, O. Casher, A. V. Shah, C. Hempill 9:05—69. Web-based technology for chem informatics. J. R. McDaniel 9:25—70. Intranet at the interface between computational and synthetic chemistry. H. van Vlijmen, P. C. Huang, M. Nolte, J. Singh 9:55—71. Searching NMR databases and predicting NMR spectra over the web. V. Kulkov, A. Williams 10:25—72. Web-based engineering chemis try database 1. W. Zhang, X-L. Fang, H. Wen, Z-H. Xu 10:55—73. Web-based engineering chemis try database 2. Z-H. Xu, H. Wen, W. Zhang, X-L. Fang 11:25—74. Versatility of a web-based spent nuclear-fuel database. L. R. Canas

THURSDAY AFTERNOON Convention Center Room 220 General Papers

A. Berks, Organizer, Presiding 1:00—Introductory Remarks. 1:05—75. Collaborative electronic notebook systems: A technical knowledge manage ment paradigm beyond LIMS, groupware, and the web. R. Lysakowski 1:30—76. Electronic laboratory notebook systems for R&D and testing labs: Status of creation and acceptance in industry. R. Lysakowski 2:00—77. Water-quality information system for the lower Mississippi River. W. J. George, J. E. Bollinger, B. Belkhouche 2:30—78. MolBank: Preservation and publi cation of chemical reaction data. S-K. Lin 3:00—79. Handling stereoisomerism and adding alternative, CAS-based, ringsystem nomenclature into organic com pound names generated algorithmically di rectly from a connection table: AutoNom approach. J. L. Wisniewski 3:30—80. Data management for high-per formance computing users. L. SteenmanClark, K. Kleese


TECH DIVISION OF CHEMICAL TECHNICIANS S. L. Crivelli, Program Chair

SOCIAL EVENTS: Dtmwr, Sun ButlnMt Meeting» Mon

MONDAY MORNING Convention Center Room 245 Chemical Engineering: Aspects, Challenges, and Contributions

D. Singleton Jr., Organizer, Presiding 9:00—Introductory Remarks. 9:05—1. Chemical technician careers enter ing the new millennium. J. K. Borchardt 9:45—2. Diversity is more than quotas (how it can increase productivity). V. G. Lott 10:10—3. Reclassification from technician to chemist/engineer. M. J. Doll, S. E. Brewer 10:35—Intermission. 10:45—4. Understanding thermal stability of hydroxylamine free base. H. Surjono, Z. Xiao, P. C. Sundareswaran, Z. Wang 11:10—5. Controlled release of proteins and peptide from polymeric biodegradable mi crospheres. T. L. Cecil, M. E. Johnson 11:35—6. Utilization of agglomeration tech niques for reuse of waste materials. B. A. Fish

MONDAY AFTERNOON Convention Center Room 245 Chemical Engineering: Aspects, Challenges, and Contributions

D. Singleton Jr., Presiding 1:30—7. Integration of pilot-plant system documentation. G. Matzke, M. Hawkins, D. Borbely 1:55—8. Dye slurry purification via vibratory shear-enhanced processing. C. B. Richenberg 2:20—9. Engineering crystals for better prod ucts. D. C. Robertson, P. Meenan, D. Green 2:45—10. Process research flexibility and pi lot-plant infrastucture. J. Abate, F. Lee, W. Dale 3:10—Concluding Remarks.

MONDAY EVENING Convention Center Exhibit Hall A Sci Mix General Chemistry

S. L. Crivelli, Organizer, Presiding 8:00-10:30 11. Use of low-temperature plasma in the polymerization of siloxane. M. J. Semer, T. I. Hu, P. J. O'Connor, T. G. Fawcett, S. A. Wallin 12. Internal standardization for inductively coupled plasma-atomic emission spec troscopy. M. J. Witkiewitz, M. B. Long 13. Thermal decomposition of cellulose. B. Stevens, E. L. Wilson 14. Effects of process variables on the HDMEA neutralization process. L. R. Procell, G. W. Wagner, D. C. Sorrick, A. B. Butrow, P. L. Abercrombie, Y-C. Yang 15. Direct metal oxidation. D. J. Lujan 16. Thermally induced gallium removal. M. E. Griego

17. Neutron source recovery summary at the Los Alamos plutonium facility. C. Brown, M. A. Martinez 18. X-ray diffraction analysis at Eastman Kodak Co. A. M. Lanzafame 19. Exploring the properties of loosely crosslinked silicone elastomeric materials and their benefits in formulation. J. M. Smith, Z. Lin, W. J. Schulz Jr., P. J. Schalk 20. Withdrawn. 21. Withdrawn. 36. Hydrochloric acid dissolution of pyrochemical residues for plutonium recovery. J. Stevens, K. G. Duran-Suazo, A. A. Maestas, B. J. Griego

CHAL DIVISION OF CHEMISTRY & THE LAW M. A. Katz, Program Chair

10:45—14. Patenting of combinatorial librar ies. S. M. Perkins 11:15—15. Litigation concerns to keep in mind when drafting/prosecuting patent ap plications. M. P. Vincent Patent Research Survival Skills: The ACS, Member Resources, and You cosponsored with Younger Chemists Committee (see page 62) A Scientific Basis, Regulatory Issues, and Litigation in Radioactive Waste Disposal: Current Problems, Experiences, and Examples cosponsored with Division of Nuclear Chemistry & Technology (see page 111)

TUESDAY MORNING MONDAY AFTERNOON

Convention Center Room 245 Safety Issues in the Workplace

SOCIAL EVENTS: Social Hour, Sun DtuhiOM I H H I I I U . Mm ι

Cosponsored with Division of Chemical Health & Safety and Younger Chemists Committee

SUNDAY MORNING

8:30—Introductory Remarks. 8:45—22. It's your choice: Pain or productiv ity. M. F. Schneider 9:45—Intermission. 10:00—23. All's well that starts well. A. M. Cacia 10:30—24. So, where do I go from here? A. M. Cacia 10:50—25. Workable safety program: Trans lating regulations into a safe workplace. D. R. Cobb 11:20—26. Rules of being human. A. M. Ca cia 11:40—27. Job conditioning: The industrial athlete. B. Veenis 12:00—Concluding Remarks.

WEDNESDAY MORNING Convention Center Room 245

Doubletree Shadows Enhancing Intellectual Property Rights in a Chemical Company

C. G. Sullivan, Organizer, Presiding 8:45—Introductory Remarks. 9:00—1. Enablement and written description requirements for chemical inventions. P. A. Campbell 9:30—2. Interference practice. R. Peet 10:00—3. Maintenance of records to satisfy PTO corroboration requirements. J . P. Isacson 10:30—Intermission. 10:45—4. Inventorship issues in litigation. S. Barner 11:15—5. International patent law. J . G. Ackerman

D. M. Butterfield, Organizer, Presiding 8:30—Introductory Remarks. 8:35—28. High-performance magnetic sepa ration for actinide particle collection. D. D. Padilla, L. A. Worl, D. Devilin, C. Prenger 9:00—29. Contextual laboratory scenarios for chemical technology curricula. K. D. Hughes, C. L. White, R. Hofstader 9:25—30. Importance of multitasking in the undergraduate laboratory. K. D. Hughes, C. L. White, R. Hofstader 9:50—31. Quantitative analysis of selected RCRA metals using electrochemical tech niques. P. D. Palmer, G. G. Miller 10:15—Intermission. 10:30—32. Preparation of oil-in-water emul sions by ultrasound. R. C. Schuck 10:55—33. Vacuum isolation of trace compo nents for electrochemical detection. A. M. Sorce, D. T. Royster 11:20—34. Elimination of solvents in IR quantitative analysis for production sup port. T. Ploszaj, J. F. O'Keefe 11:45—35. Characterization of detergent proteases in competitive products. L. R. Price 12:10—Concluding Remarks.

A Scientific Basis, Regulatory Issues, and Litigation in Radioactive Waste Disposal: Current Problems, Experiences, and Examples cosponsored with Division of Nuclear Chemistry & Technology (see page 110)

SUNDAY AFTERNOON Doubletree Shadows Enhancing Intellectual Property Rights in a Chemical Company

C. G. Sullivan, Presiding 1:00—6. Exxon v. Lubrizol, a case study in recent developments in chemical patent practice law. M. A. Murphy 1:30—7. Corporate counsel's perspective on patent law. B. J. Boshears 2:00—8. Ownership of intellectual property rights, nondisclosure agreements, and confidentiality agreements. D. H. Jaffer 2:30—Intermission. 2:45—9. Role of the intellectual asset man ager in today's enterprise. P. W. Barnett 3:15—10. Trade secrets: Cornerstone of IP protection. C. G. Sullivan A Scientific Basis, Regulatory Issues, and Litigation in Radioactive Waste Disposal: Current Problems, Experiences, and Examples cosponsored with Division of Nuclear Chemistry & Technology (see page 110)

!

MONDAY MORNING


Doubletree Shadows

CATALYSIS

Protecting and Commercializing Biotechnology Inventions


• M


•

PETROCHEMICALS

•


1:00—Introductory Remarks. 1:05—16. Role of the National Cancer Insti tute: Technology development and com mercialization branch in commercializing biotechnology. B. J. Gabrielsen 1:30—17. Licensing biotechnology. K. Flynn 2:00—18. Strategic use of university biotech nology: The MIT experience. T. R. Ittelson 2:30—19. Ethical considerations in exploiting human biotechnology. M. S. Webb 3:00—20. Due diligence in acquiring biotech nology companies. A. C. Walsh 3:30—21. Determining the market value for biotechnology. N. I. Levin, J. Wyse

TUESDAY MORNING Doubletree Shadows Dispute Resolution

J. C. Carver, C. B. Meyer, Organizers J. C. Carver, Presiding 9:00—42. Mock trial, Part I: Age discrimina tion. J. C. Carver, V. Crochet, L. Feeney, C. B. Meyer

TUESDAY AFTERNOON

MONDAY EVENING

Doubletree Shadows


C. B. Meyer, Presiding

Sci-Mix

General Chemistry

• •

Protecting and Commercializing Biotechnology Inventions

P. Campbell, Presiding

D. Cobb, Organizer, Presiding

*

Doubletree Shadows

36. Trends of 1995, 1996, 1997, and 1998 for top companies issuing U.S. patents (from the U.S. Patent & Trademark Office and the Intellectual Property Owners). Η. Μ. Peters, S. B. Peters 37. What can you, colleges, universities, ACS regions, ACS divisions, ACS local sections, and ACS national do to promote minority awareness and participation in the chemical sciences? H. M. Peters, S. B. Peters 38. Geneva College event: A celebration of forty years of ACS approval of the chemis try curriculum—a paradigm for other liber al arts colleges and for the historically black colleges and universities. S. Peters, H. Peters 39. Teaching by cartoon: Cartoons concern ing inventors and inventions Η. Ε. Dubb, D. J. Rosenblum 40. Teaching by cartoon: Cartoons concern ing chemists and chemistry. B. L. Lences, A. Robertson 41. Teaching by Cartoon: Cartoons concern ing lawyers and the law. D. Hodgins, M. Kaminski

Η. Μ. Peters, Organizer, Presiding 8:00-10:30 22. Inventure Place/National Inventors Hall of Fame. Η. Μ. Peters 23. Gertrude B. Elion, leukemia-fighting drug, 6-mercaptopurine, U.S. patent 2,884,667. S. Peters, E. P. Bhatt 24. Elizabeth L. Hazen and Rachel Brown, Nystatin, U.S. patent 2,797,183. S. Pe ters, E. P. Bhatt 25. Stephanie Kwolek, Kevlar, U.S. patents 3,819,587 and RE 30,352. S. Radding 26. An Wang, pulse transfer controlling de vice, U.S. patent 2,708,722. J. F. Riley 27. George Washington Carver, peanut prod ucts, U.S. patents 1,522,176; 5,541,478; and 1,632,365. H. M. Peters, T. Peters 28. Percy L. Julian, preparation of cortisone, U.S. patent 2,752,339. A. Ehrlich 29. Mark Dean, bus control means for com puter processing devices, U.S. patent 4,528,626 M. Katz 30. Death by chocolate: A brief history of chocolate as a food. H. M. Peters, S. B. Peters 31. Milton S. Hershey: One of a kind, founder of the Hershey Chocolate Co. Η. Μ. Pe ters, S. B. Radding 32. Abraham Lincoln, only U.S. president patentee: U.S. patent 6,469—method to refloat flatbed river boats J. C. Carver 33. Monopoly, the board game: U.S. patent 2,026,082. H. M. Peters, S. B. Peters 34. Starbucks coffee, anyone? The patented cup insulators and spill-resistant cap. G. E. Dolbear, C. Dolbear 35. Calendars describing important events about chemists, chemistry, inventions, and inventors. S. B. Radding, Τ. Μ. Peters

Dispute Resolution

1:00—43. Dispute resolution, Part II: Resolv ing personal, professional, and employ ment conflicts C. B. Meyer, J. C. Carver 2:30—44. Dispute resolution, Part III: Re solving personal, professional, and em ployment conflicts. C. B. Meyer

COLL DIVISION OF COLLOID & SURFACE CHEMISTRY R. Nagarajan, Program Chair

OTHER SYMPOSIUM OF INTEREST: Adh—Ion. Clwiiililiy. Mttilnnlin, end P I O O M · (tee DMêèon of

Pofymeric MâtorUs: Solera Λ Bngirmetfng, Tue, Wed, Thu, pag» 138) SOCIAL EVENTS: Poster SeeeloiWSocleJ Hour, Mon

Luncheon, Tues

BU8MESS MEETMQ: Mon SUNDAY MORNING Section A

P. Campbell, Organizer, Presiding 9:00—Introductory Remarks. 9:15—11. Practical impact of selected feder al circuit biotech cases. G. Spratt 9:45—12. Inventorship: A particularly difficult issue in combinatorial chemistry. C. A. Campbell 10:15—13. Combinatorial chemistry libraries and their use for drug discovery. D. A. Gay

i

Convention Center Room 221 M Novel Surfactants Synthesis, Properties, and Applications


D. Jaeger, Organizer, Presiding 9:00—Introductory Remarks. 9:05—1. Acid-labile and oxidatively labile vi nyl ether surfactants: Synthesis and drug delivery applications. D. H. Thompson, J. A. Boomer

JULY 26, 1999 C&EN 8 1

COLL/TECHNICAL PROGRAM

9:40—2. Synthesis, properties, and applica bility of surfactants designed for C 0 2 pro cesses. J. M. DeSimone, S. L. Wells, M. Adam, M. Rubinstein 10:15—3. New and unusual surfactants. F. M. Menger 10:50—4. Using synthetic organic model systems to probe biochemical interactions. G. W. Gokel, S. L. De Wall, E. S. Mea dows, C. L. Murray, H. Shabany 11:25—5. Fusogenic liposomes that contain novel A/-acyl PE's. B. D. Smith, Z-Y. Zhang

Section Β Convention Center Room 222 • Theoretical Modeling of Metal-Liquid Interfaces Structure of the Metal-Liquid Interface

J. W. Halley, Organizer, Presiding 9:00—6. First principles simulations of atom istic structure at solid-liquid interfaces. W. A. Goddard III 9:45—7. Interaction of water and dimethylsulfoxide with gold surfaces. A. A. Gewirth, N. Ikemiya, T. Y. B. Leung, S. K. Si 10:30—Intermission. 11:00—8. First principles calculation of the cadmium-water interface structure. D. L. Price, J. W. Halley Section C Convention Center Room 257 * Surface Chemistry: Medical and Biological Applications

R. D. Tilton, Organizer, Presiding 9:00—9. Host-guest interactions detected by fluorescent monolayers on glass. S. Flink, F. C. J. M. van Veggel, D. N. Reinhoudt 9:30—10. Fluorinated microemulsions as an oxygenated medium for transplant organs. P. Lo Nostra, M. Monici, P. Baglioni, V. Fossombroni, P. A. Bernabei 10:00—11. Host-guest complexation of water-soluble and water-insoluble drugs by cyclodextrins. A. Baszkin, A. Angelova, C. Ringard-Lefebvre 10:30—Intermission. 10:50—12. Self-assembly and potential pharmaceutical applications of ascorbyl derivatives' micellar systems. P. Lo Nos tra, S. D. Palma, R. H. Manzo, D. A. Alle mand! 11:20—13. Application of second harmonic generation to molecular transport across liposome bilayers. E. C. Y. Yan, A. Srivastava, K. B. Eisenthal

SUNDAY AFTERNOON Section A Convention Center Room 221 M Novel Surfactants Synthesis, Properties, and Applications J . B. F. N. Engberts,

Presiding

2:00—14. Stiff surface and vesicular mono layers containing Ângstromwide gaps made of bolaamphiphilic diamides and porphyrins. J. Fuhrhop, C. Bottcher, W. Fudickar, T. Komatsu, C. Messerschmidt, J. Zimmermann 2:35—15. Supramolecular assemblies based on surfactant polymer interactions. D. G. Whitten, L. Chen, H. L. Wang, H. C. Geiger, I. Place, D. McBranch, T. L. Penner 3:10—16. Nonequilibrium, interfacial properties of aqueous solutions of bolaform surfactants containing disulfide and azobenzene groups. N. L. Abbott, L. I. Jong, J. Y. Shin 3:45—17. Surfactant oligomers in aqueous solution: Selected aspects. R. Zana 4:20—18. Interfacial conformations of bipolar and tripolar phospholipids. R. B. Lennox, L. Cuccia, T. Heitner, A. Beck, G. Bertiaume, G. Just, F. Morin

Section Β Convention Center Room 222 • Theoretical Modeling of Metal-Liquid Interfaces Structure and Electron Transfer

9:45—36. Molecular simulation of the magnetite(Fe304)-water interface. J. R. Rustad, E. Wasserman, A. R. Felmy 10:30—Intermission. 11:00—37. Atomistic simulation of mineral surfaces. S. C. Parker, N. H. deLeeuw, S. E. Redfern

Section C

D. L. Price, Presiding 1:30—19. Electronic structure studies of the water-copper surface interface. L. A. Curtiss, P. Zapol 2:15—20. Electronic properties at a metalsolution interface as portrayed by solidstate NMR. Y. Tong, E. Oldfield, A. Wieckowski, C. Rice 3:00—21. Theory and simulation of electron transfer across the electrode-electrolyte interface. G. A. Voth 3:45—22. Direct and molecular dynamics simulations at the copper-water interface. S. M. Walbran, J. W. Halley 4:30—23. Theoretical studies of the semi conductor-liquid interface. Β. Β. Smith, A. J. Nozik

Section C Convention Center Room 257 * Surface Chemistry: Medical and Biological Applications R. D. Tilton,

Presiding

2:00—24. Planar polymerized phospholipid bilayers: Preparation and characterization. S. S. Saavedra, J. C. Conboy, S. Liu, E. E. Ross, D. F. O'Brien 2:30—25. Study of human being lung surfac tant monolayer: Viscosity and morphology. J. Ding, A. V. Nahmen, K. Graf, J. A. Zasadzinski, A. J. Waring 3:00—26. Unusually low dynamic tensions and direct probing of adsorbed layers of aqueous sodium myristate. X. Wen, E. I. Franses 3:30—Intermission. 3:50—27. Animal virus-derived peptide switches membrane morphology: Possible relevance to nodaviral transfection pro cesses. C. Steinem, A. Janshoff, D. T. Y. Bong, J. E. Johnson, M. R. Ghadiri 4:20—28. Devoloping biosensors from sup ported phospholipid bilayers. P. S. Cremer, T. Yang

MONDAY MORNING Section A Convention Center Room 221 M Novel Surfactants Synthesis, Properties, and Applications

* Surface Chemistry: Medical and Biological Applications

T. M. Przybycien, Presiding 9:00—38. Ultraselective nanoparticle-based detection of PCR-amplified DNA. C. A. Mirkin, R. L. Letsinger, J. J. Storhoff, R. Elghanian, R. C. Mucic 9:30—39. Pharmaceutical protein-catheter surface interactions in continuous infusion therapy. T. M. Przybycien, G. Vedantham 10:00—40. Role of dispersion interactions in the adsorption of proteins at air-water and oil-water interfaces. T. Sengupta, S. Damodaran 10:30—Intermission. 10:50—41. Mechanism of blood compatibilization in microdomain copolymers. M. A. Childs, J. R. Dorgan, D. D. Matlock, D. J. Bihm 11:20—42. Protein adsorption to poly(lactide-co-glycolide) surfaces. R. D. Tilton, S. M. Butler, M. A. Tracy


MONDAY EVENING

H Novel Surfactants Synthesis, Properties, and Applications

5:30—Division Business Meeting. Poster Session

W. T. Ford, Presiding

B. K. Warren, Presiding

2:00—43. Vesicles with oligomerized bilayer leaflets: Properties and fusogenic behav ior. J. B. F. N. Engberts, B. J. Ravoo, W. D. Weringa 2:35—44. Unimolecular regular/inverse mi celles based on dendritic architecture. D. A. Tomalia, L. Balogh 3:10—45. Polymerization of liquid-crystalline assemblies. D. F. O'Brien 3:45—46. Torsional dendritic analysis: De sign and synthesis of a molecular "Rubik's sphere." G. R. Newkome, M. J. Rourk, G. R. Baker, C. N. Moorefield 4:20—47. Formation of equilibrium vesicles in aqueous mixtures of oppositely charged hydrocarbon and fluorocarbon surfactants. E. W. Kaler, D. J. lampietro, J. A. Zasadzinski, H-T. Jung, B. Coldren

6:00-8:00

Convention Center Room 222 • Theoretical Modeling of Metal-Liquid Interfaces Oxides, Water, and Wetting

J. R. Rustad, Presiding 1:30—48. Modeling of semiconductorelectrolyte interfaces with tight-binding molecular dynamics. P. K. Schelling, J. W. Halley 2:15—49. Quantum molecular modeling of processes at metal oxide-water interfaces. Τ. Ν. Truong 2:45—50. Ice-water interface: Computer sim ulations. A. D. J. Haymet, J. Hayward 3:15—51. Molecular dynamics study of the dielectric constant of water in high electric fields. M. L. Berkowitz, l-C. Yeh 4:00—52. Dynamics of spreading droplets revisited. M. Chariot, M. Voué, M. J. de Ruijter, G. Oshanin, J. De Coninck

• Theoretical Modeling of Metal-Liquid Interfaces Oxide-Electrolyte Interfaces

L. A. Curtiss, Presiding

8 2 JULY 26, 1999 C&EN

2:00—54. Functionalized porous silicon surfaces with dramatically improved stability in simulated blood plasma. J. M. Buriak, M. P. Stewart, L. T. Canham, C. L. Reeves, J. P. Newey, M. R. Houlton, T. I. Cox 2:30—55. Biologic activity of dendrimerbased nanocomposites. L. Balogh, A. T. McManus, D. A. Tomalia, G. L. Hagnauer 3:00—56. Compositional structure studies of apatite precursors on titania surfaces. C. C. Chusuei, M. J. Van Stipdonk, D. R. Justes, K. H. Loh, E. A. Schweikert, D. W. Goodman 3:30—Intermission. 3:50—57. Direct force measurements between neutral, end-grafted PEO monolayers. N. Efremova, D. F. O'Brien, D. E. Leckband, B. Bondurant 4:20—58. Model system for adhesion of cells on protein-surfaces based on functionalized phospholipid vesicles. A. Janshoff, J. Wegener, C. Steinem, B. Pignataro, H. Fuchs, H-J. Galla

Hilton Riverside Grand Salon C/D


9:00—35. In situ X-ray diffraction studies of passive oxide films. M. F. Toney, L. J. Oblonsky, A. J. Davenport, M. P. Ryan

T. M. Przybycien, Presiding


Section Β

Section Β

Section C Convention Center Room 257 • Surface Chemistry: Medical and Biological Applications


F. M. Menger, Presiding 9:00—29. Electroless plating of organic pig ment thin films using surfactants with an azobenzene moiety. T. Saji 9:35—30. Derivatization of colloidal nanoparticles and self-assembly of derivatized nanoparticles. J. H. Fendler 10:10—31. New applications of chemical trapping: Estimating interfacial urea and antioxidant concentrations. L. S. Romsted, J. Zhang 10:45—32. Polyampholyte microgels as col loidal catalytic media. K. W. Hampton Jr., W. T. Ford 11:20—33. Reactivity in betaine micelles: Dependence on reaction mechanism and added electrolyte. C. A. Bunton 11:55—34. Heterogeneous catalysis with cross-linked lyotropic liquid-crystal assem blies: Organic analogs to mesoporous sieves. S. A. Miller, D. L. Gin, E. Kim, D. H. Gray

4:30—53. Complete spreading of liquid microdroplets on heterogeneous substrates: Experiments and simulations. M. Voué, S. Semai, J. De Coninck


Fundamentals of Colloid and Surface Chemistry

B. K. Warren, Organizer 59. Study of the adsorption isotherms in an ultrasound field. X. Wei, A. D. W. Carswell, B. P. Grady 60. Energy barriers at aqueous-air interface of surfactant solutions. N. Wu, J. Dai, F. J. Micale 61. Interactions between nonionic polymers and surfactants. N. Wu, F. J. Micale 62. Spectroscopic characterization of microdomains within dendrimer-surfactant supramolecular assemblies. K. K. Karukstis, S. C. Thonstad, M. E. Hall 63. Characterization of molybdenum model catalysts supported on oc-AI203 singlecrystal thin films. Y. Sakashita, T. Yoneda 64. Effect of Ar+ ion beam irradiation in the process of plasma surface modification of polymer films. J. Hyun, S. Yoo, D. E. Aspnes, J. J. Cuomo 65. Cheap sizing tool for high-density particles. T. A. M. Beumer, R. Bally, P. Haarbosch, W. Carpay 66. Mixing behavior of fluorinated carboxylic acids with DPPC: A monolayer study. H-J. Lehmler, P. M. Bummer, M. J. Jay 67. Structural influences on the aqueous solution behavior of hydrophobically modified, ethoxylated urethanes. P. T. Elliott, J. E. Glass 68. Neutron scattering observations on filled poly(dimethylsiloxane) gels. F. Horkay, A-M. Hecht, E. Geissler 69. Structural properties of self-assembled monolayers (SAMs) generated from aliphatic dithiocarboxylic acids (ADTCAs) on gold. R. Colorado Jr., R. J. Villazana, T. R. Lee 70. Thermal stabilities of self-assembled monolayers (SAMs) generated from terminally fluorinated alkanethiols on gold. O. E. Shmakova, R. Colorado Jr., M. Graupe, T. R. Lee 71. Functionalization of gold nanoshell surfaces with organosulfur adsorbates. T. Pham, J. Jackson, N. J. Halas, T. R. Lee 72. Control of molecular orientation of amphiphilic polypeptide at the air-water interface. T. Kinoshita, T. Doi, Y. Tsujita, H. Yoshimizu

73. S on TiO2(110): Study of adsorption be havior with STM and XPS. E. L. D. Hebenstreit, W. Hebenstreit, W. Reed, U. Diebold 74. Treatment-dependent surface recon struction of Fe3O4(001). B. Stanka, W. Hebenstreit, W. Reed, U. Diebold, S. A. Chambers 75. UHV-EC and EC-STM studies of molec ular chemisorption at well-defined surfac es: Hydroquinone and benzoquinone on Pd(111). J. E. Soto, Y-G. Kim, M. P. Soriaga 76. Quartz crystal microbalance/heat con duction calorimetry: Principles and appli cations to sorption in thin polymer films. A. L. Smith, H. M. Shirazi 77. Dissociative adsorption of CI on TiO2(110) studied by STM and AES. W. Hebenstreit, U. Diebold, G. Leonardelli, M. Schmid, P. Varga, W. Reed 78. Density dependence of homopoiymer ad sorption and colloidal interaction forces in supercritical solvents. J. C. Meredith, K. P. Johnston 79. Three-phase transition and partition iso therms of nonionic surfactant mixtures. N. Marquez, Β. Β. Bravo, G. Ε. Chavez, F. J. Ysambertt 80. Temperature- and pH-responsive catalyt ic activity of colloidal platinum nanoparticles stabilized by poly(vinylamine-co-/Vvinylisobutyramide). C-W. Chen, K. Arai, K. Yamamoto, T. Serizawa, M. Akashi 81. Small-molecule aqueous gelators based on L-cystine. K. L. Caran, F. M. Menger 82. Assembly of stereoregular poly(methyl methacrylate)s with stepwise stereocomplex formation on a substrate. T. Seriza wa, K-l. Hamada, M. Akashi, T. Kitayama, N. Fujimoto, K. Hatada 83. Controlled assembly of metal nanoparticle aggregates on silica nanoparticle sur faces. N. J. Halas, S. L Westcott, S. J. Oldenburg, T. R. Lee 84. Solvent effects of quinone surface inter actions. A. B. Helms, D. E. Nikles, S. C. Street, M. Han, Y. Hu, G. W. Warren 85. Tribochemistry of model boundary layer lubricants. H. A. Nichols Jr., S. C. Street 86. Anhydrous M0 2 (M = Ti, Zr, Sn) colloids at high temperature: Grain coarsening and phase transitions. T. E. Denier, T. J. Trentler, J. Bertone, V. Colvin 87. Surfactant/supercritical fluid cleaning of metal substrates. K. L. Roberts, J. E. Forbes, V. B. Pritchard, K. B. Saunders, G. L. White 88. Rare-earth doping of silica nanoparticles. C. E. Moran, C. J. Radloff, D. B. Wolfe, N. J. Halas 89. Mesoscale self-assembly in 2-D. Ν. Β. Bowden, G. M. Whitesides 90. Study of hydrophobically modified dextran: Effects of temperature and oil polari ty on emulsion ability and determination of adsorbed bound fraction using spin echo NMR. J. B. Schuman, W. L. Jarrett Jr., R. Y. Lochhead 91. Reconstruction of the structure of disper sions of anisotropic colloidal particles. A. Mourchid, P. Levitz 92. Differentiating molecular structures in scanning tunneling microscopy. P. S. Weiss, G. S. McCarty, C. D. Keating, D. J. Fuchs 93. Surface characterization of titanium alloy pretreatments by AFM. J. C. Williams

• • •


•

ENVIRONMENTAL ISSUES M MATERIALS • PETROCHEMICALS *


94. New developments in the surface chem istry of self-assembled monolayers on gold. M-T. Lee, C-C. C. Hsueh, M. S. Freund, G. S. Ferguson 95. Aerosol-assisted self-assembly of mesostructured spherical nanoparticles. Y. Lu, H. Fan, C. J. Brinker, T. L. Ward, T. Rieker 96. Planar colloidal crystals: Colloidal monodispersity and crystalline quality. K. A. Fire stone, P. Jiang, V. L. Colvin 97. Alternative technology for the destruction of volatile organic compounds of soil vapor extraction gases based on traveling wave microwave plasma. B. Derecskei, B. A. Wofford, J. W. Bevan 98. Atomic level molecular modeling of the nonionic surfactant Triton X-100: A com parison of the OPE5, OPE7, OPE9 and OPE11 components. A. DerecskeiKovacs, B. Derecskei, Z. A. Schelly 99. Electrokinetic phenomena of the second kind: Theory, experiment, applications. S. Barany, N. Mishchuk Interfacial Properties on the Submicron Scale

J. E. Frommer, R. M. Overney, Organizers 100. Individual supramolecular interactions with fast unbinding kinetics revealed by force spectroscopy. H. Schônherr, G. J. Vancso, M. W. J. Beulen, J. Bugler, F. C. J. M. Van Veggel, D. N. Reinhoudt 101. Apparatus for measurements of interfacial shear rheology. G. B. Bantchev, D. K. Schwartz 102. Brewster angle microscopy study of rheology of a Langmuir monolayer. A. T. Ivanova, D. K. Schwartz 103. Some aspects of in situ observation of self-assembled monolayer growth and dissolution. I. P. Doudevski, D. K. Schwartz 104. Shear-induced orientation of fatty acid monolayers. J. Ignés-Mullol, D. K. Schwartz 105. Effect of interfacial constraints on the glass transition temperature of ultrathin polymer films by scanning force microscopy. C. K. Buenviaje, S. Ge, R. Buckmaster, X. Hu, J. Domicik, J. Sokolov, M. Rafailovich, R. Overney 106. Oxygen-induced restructuring of the Ti02(110) surface: A STM and LEIS study. M. Li, W. Hebenstreit, S. A. Chambers, U. Diebold 107. Time and temperature dependence of the oxide layer on silicon wafer. K. Shin, X. Hu, M. H. Rafailovich, J. Sokolov, R. Kolb, S. A. Schwarz, Y. Strechmechny 108. Surface interactions and filled polymer systems. M. H. Rafailovich, Y. Zhang, D. Peiffer, B. Tang, M. Lin, J. A. Dias, K. O. McElrath, S. Ge, J. Sokolov, A. Winesett, H. Ade, S. Satija 109. Confinement induced miscibility in thinfilm polymer blends. S. Zhu, Y. Liu, M. Rafailovich, J. Sokolov, D. Gersappe, D. A. Winesett, H. Ade 110. Single-crystal colloidal multilayers of controlled thickness. P. Jiang, J. F. Bertone, K. S. Hwang, V. L. Colvin 111. Theoretical study of friction anisotropy in tilted-ordered organic monolayers. T. Ohzono, M. Fujihira 112. Sum-frequency generation studies of chiral adsorbates. M. C. Messmer, R. L. Pizzolatto, Y. J. Yang, L. K. Wolf 113. Tethered polymer structure studied by sum-frequency generation spectroscopy. M. C. Messmer, R. L. Pizzolatto, Y. J. Yang 114. Bulk and surface behavior of polymersurfactant solutions: Cationic guar and sodium dodecyl sulfate. C. Robelin, O. Anthony, C. Marques, P. Richetti Novel Surfactants: Synthesis, Properties, and Applications

118. Conformational studies of sulfynol surfactants at the air-water interface by sumfrequency generation spectroscopy. M. C. Messmer, Y. J. Yang, R. L. Pizzolatto 119. Characterization of a new generation of surfactants with the potential to act as drug delivery vehicles. S. Zuberi, T. Zuberi, S. Sultana, M. J. Lawrence 120. Synthesis and properties of fluoroalkylated end-capped oligomers containing quinolinyl segments. H. Sawada, N. Kawasaki, M. Oue, T. Kawase 121. Dendritic surfactants: Synthesis and aggregation properties of amphiphilic polyamidoamine (PAMAM) dendrimers. A. V. Peresypkin, F. M. Menger 122. Syntheses and characterization of nano "onion-like" structures. A. S. Kumbhar, E. E. Carpenter, W. Zhou, J. K. Wiemann, C. J. O'Connor 123. Surface properties of new heterocyclic gemini surfactants. J. S. Keiper, F. M. Menger 124. Trehalose-based gemini surfactants. B. N. A. Mbadugha, F. M. Menger 125. Formation of nanostructured thin films and particles by surfactant self-assembly. Y. Lu, H. Fan, C. J. Brinker 126. Potential dependence of the structure of DDAB vesicles adsorbed onto HOPG and Au substrates: AFM and SPR studies. S. Boussaad, R. Arechabaleta, N. Tao 127. Dendripore and dendrilock concepts as new controlled delivery strategies. R. Esfand, D. A. Tomalia, A. E. Beezer, J. C. Mitchell, M. Hardy 128. Surface glyco-engineering of PAMAM dendrimers and their potency as inhibitors of viral adhesion and infection. R. Esfand, D. A. Tomalia, J. R. Baker Jr., J. Reuter, L. T. Piehler, R. Roy 129. Efficient delivery of platinum-containing compounds to malignant tumors. R. Esfand, D. A. Tomalia, R. Duncan, N. Malik 130. Morphological changes of dendritic host molecules in relation to the guest uptake. R. Esfand, D. A. Tomalia 131. Supraencapsulation and enhancement delivery of vitamins. R. Esfand, D. A. Tomalia, R. Yin Processing and Surface Chemistry of Electronic Materials

J. E. Crowell, Organizer 132. Surface modification of conducting polymer films. T. W. Hanks, B. R. Bergman, K. E. Dungey, M. Powell 133. Syntheses and characterization of nano "core-shell" structure. Y. Han, Ε. Ε. Car penter, C. J. O'Connor 134. Comparative dynamics of CI(2P) and 0( 3 P) interactions with a liquid hydrocar bon surface. D. J. Garton, J. Zhang, T. K. Minton, M. Alagia, N. Balucani, P. Casavecchia, G. G. Volpi Surface Chemistry: Medical and Biological Applications

B. K. Warren, Organizer 135. Oscillation of membrane potential and recognition of salts in immobilized DNA membranes. T. Imizu, A. Higuchi 136. Enhanced CEA production associated with some chemicals by CW-2 cells cul tured on LB and cast films. S. Adachi, M. Hara, A. Higuchi 137. Morphologies of L929 cells cultured on some polymeric membranes prepared by casting and LB methods. M. Hara, A. Higuchi 138. Interferon-β production of fibroblast cells cultured on some polymeric films prepared by LB and casting methods. T. Ohno, M. Hara, T. Asakura, A. Higuchi 139. Novel alternative method of animal test for toxicity of chemicals using L929 cells cultivated on some polymeric films. S. Konishi, M. Hara, A. Higuchi

Materials Synthesis

B. K. Warren, Organizer 143. Inverted core-shell structured bimetallic nanoparticles protected by polymers: Novel synthesis, structure analysis, and catalysis. N. Toshima, A. Shiotsuki, Y. Shiraishi 144. One-step synthesis of β-cyclodextrinmodified gold nanoparticles. J. Liu, A. E. Kaifer 145. Synthesis, characterizion, and voltammetric behavior of viologen-functionalized PAMAM dendrimers. M-K. Oh, W. Baker, L. Baker, R. Peez, R. M. Crooks 146. Scanning tunneling microscopy study of dendrimer-encapsulated metal nanoparti cles. W. S. Baker, M. Zhao, R. M. Crooks 147. Sequential synthesis of gold coated iron nanoparticles using reverse micelles. Ε. Ε. Carpenter, J. A. Sims, C. J. O'Connor 148. Transformations from inverse micelles to rigid gels in surfactant systems: Funda mental characterization and applications to nanostructured materials synthesis. V. John, S. Li, G. Irvin, B. Simmons, G. McPherson, J. Akkara, C. O'Connor 149. In situ hydrothermal synthesis of surface-functionalized hectorite from gels containing organosilanes. L. Xu, K. A. Carrado

Section Β Convention Center Exhibit Hall A Sci-Mix

R. Nagarajan, Organizer 8:00-10:30 92. See previous listing.

TUESDAY MORNING Section A Convention Center Room 221 Η Novel Surfactants Synthesis, Properties, and Applications

L. S. Romsted, Presiding 8:30—150. Properties of surfactants based on different fatty acids. M. Svensson, J. Berg, B. Folmer, K. Holmberg 9:05—151. Short-chain phospholipids: Use ful surfactants for studying lipolytic en zymes. M. F. Roberts 9:40—152. Micellization and solubilization properties of various types of gemini sur factants. T. A. Camesano, R. Nagarajan 10:15—153. Reactions and transformations in surfactant systems. J. Texter 10:50—154. Supraaggregate made of Cu(AOT)2/Water/lsooctane. M-P. Pileni, I. Lisiecki, P. Andre, A. Filemkembo, C. Petit 11:10—155. Amphiphile of bisquaternary ammonium salt: Design of hydrolase mod el recognizing substrates. Y. Yoda, T. Takezawa, Y. Ohkatsu

Section Β Convention Center Room 222 Interfacial Properties on the Submicron Scale Nanomechanical Properties and Tribology

D. Jaeger, Organizer 115. Saint amphiphiles: Novel pyridinium surfactants are efficient DNA carrier systems. A. Wagenaar, J. Smisterova, D. Hoekstra, J. B. F. N. Engberts 116. Solubility enhancement of three PAHs by three different anionic surfactants. J-W. Park, J. Lee 117. Physico-chemical and solubilization properties of /v,/V-dimethyl-/V-(3-dodecyloxypropyl)-amineoxide. S. Zuberi, S. Toile, T. Zuberi, M. J. Lawrence

140. Specific binding of L-alanine onto a monolayer composed of polyallylamine containing poly(L-alanine) graft chains. M. Higuchi, K. Taguchi, T. Kinoshita 141. Surface and cellular attachment of L-dopa-containing peptides. M. P. Olivieri, R. M. Wollman, M. I. Hurley, S. C. Ceraulo, M. F. Swartz 142. Measuring bacterial interaction forces using atomic force microscopy and impli cations for bacterial adhesion in porous media. T. A. Camesano, A. A. DeSantis, J. C. Baygents, B. E. Logan

J. E. Frommer, R. M. Overney, Organizers R. M. Overney, Presiding Photographing of slides and/or taping of talks is prohibited unless permission is obtained from individual presenters

8:30—Introductory Remarks. 8:35—156. Nanoscale surface mechanical property measurements: Force modulation techniques applied to AFM and nanoindentation. K. J. Wahl, S. A. S. Asif, R. J. Colton

JULY 26, 1999 C&EN 8 3

COLL/COMP/TECHNICAL PROGRAM

9:15—157. Dry sliding friction: Probing the dynamic response of the friction force us ing LFM and SFA measurement platforms. J. M. Drake, S. D. Cameron, V. Pasquier 9:55—158. Quantitative measurements of nanoscale frictional properties of alkanethiols on Au(111) using scanning force mi croscopy. L. Li, S. Jiang 10:15—Intermission. 10:30—159. Structure and friction of bound ary lubricants under confinement. M. Salmeron 11:10—160. Molecular dynamics investiga tion of the atomic scale friction of hydro carbon self-assembled monolayers. J. A. Harrison, A. B. Tutein, S. J. Stuart

Section C Convention Center Room 257 • Surface Chemistry: Medical and Biological Applications R. D. Tilton,

Presiding

9:00—161. Controlling cell growth on plastic and metal surfaces using microcontact printing. P. Ghosh, W. M. Lackowski, M. L. Amirpour, M. V. Pishko, R. M. Crooks 9:30—162. Spatially directed cellular adhesion on micron-scale patterned hyperbranched polyethylene glycol)/poly(acrylic acid) films. W. M. Lackowski, P. Ghosh, M. L. Amir pour, M. V. Pishko, R. M. Crooks 10:00—163. Cellular mimics engineered from diblock copolymer. B. M. Discher, Y-Y. Won, D. S. Ege, J. C-M. Lee, F. S. Bates, D. E. Discher, D. A. Hammer 10:30—Intermission. 10:50—164. Direct measurements of adhe sive interactions between cadherin extracel lular domains. D. Leckband, S. Sivasankar, W. Brieher, N. Lavrik, B. Gumbiner 11:20—165. Colloidal and polymeric mimetics of leukocyte adhesion. D. A. Hammer, S. D. Rodgers

TUESDAY AFTERNOON Section A Convention Center Room 221

Section C Convention Center Room 257

M Processing and Surface Chemistry of Electronic Materials Advanced Materials and Novel Characterization Techniques

M Processing and Surface Chemistry of Electronic Materials Plasma Processing and Growth of Amorphous Materials

J. E. Crowell, J. W. Rogers Jr., Organizers J. W. Rogers Jr., Presiding

J. E. Crowell, Presiding

2:00—175. Second harmonic spectroscopy of Ge/Si(001) and Si^GexiOOiySKOOl). J. Ekerdt, P. Parkinson, M. C. Downer, V. Gravilenko 2:20—176. Ion-influenced surface diffusion of Ge on Si(111). E. G. Seebauer, E. R. Blomiley, R. Ditchfield 2:40—177. Surface science investigations of GaAs OMVPE using in situ optical diag nostics. J. R. Creighton 3:20—178. Structures of compound semi conductors surfaces in the MOVPE envi ronment. R. F. Hicks, L Li, B-K. Han, M. J. Begamey, D. Law, Q. Fu 3:40—179. Characterization of ultrathin-film materials by surface-enhanced Raman spectroscopy. M. J. Weaver, S. Zou, H. Y. H. Chan 4:00—180. Effect of water vs. isopropanol as coreactants for copper chemical vapor deposition. G. L. Griffin, J. S. Boey, R. Thiruvenkatachari, A. S. Maverick, H. Fan 4:20—181. Microcalorimetric heats of ad sorption of metals on metal oxide and Si(100) surfaces. D. E. Starr, D. J. Bald, J. E. Musgrove, J. T. Ranney, J. H. Larsen, C. T. Campbell

B. K. Warren, Organizer, Presiding 2:00—Introductory Remarks. 2:10—166. Polymer dynamics and enzyme catalysis on monolayers. H. Yu 3:00—Introductory Remarks. 3:10—167. Rational catalyst design via gen eralized concepts for converting homoge neous catalysts into heterogeneous cata lysts. M. E. Davis

Section Β Convention Center Room 222 Interfacial Properties on the Submicron Scale Kinetics and Interactions in Confined Systems

J. M. Drake, Presiding 2:00—168. Surface properties of soft-matter thin films studied by X-ray and neutronscattering methods. O. H. Seeck, S. K. Sinha, M. Rafailovich, J. Sokolov, K. Shin, M. Tolan 2:40—169. Molecular confinement at biomaterial interfaces. R. Luginbuhl, C. Buenviaje, V. Y. Pan, B. D. Ratner, R. M. Overney 3:20—170. Kinetics and domain formation in surface reactions by inverted force micros copy and FTIR spectroscopy. H. Schonherr, G. J. Vancso, C. J. M. Stirling, V. Chechik 3:40—171. Kinetics in polymers at the glass transition. Y. Pu, S. R. Ge, M. Rafailovich, J. Sokolov, C. Buenviaje, R. Overney 4:20—172. Evidence for strong electrostatic/ hydrophobic binding sites for cationic sur factants binding on aqueous silica disper sions. M. G. Bakker, G. L. Turner 4:40—173. Interaction forces at surfaces of confined films by chemically derivatized atomic force microscopy. A. Szuchmacher, R. Luginbuhl, T. Engel, R. M. Overney 5:00—174. Dendrimers with polymeric core: Molecular structure, dynamics, and interfacial properties. W. Stocker

8 4 JULY 26, 1999 C&EN

8:30—194. Interactions of low energy (51000 eV) TiCl x + (x = 0-3) ions with graph ite: Reactive scattering, shallow implanta tion, and thin-film formation. E. T. Ada, S. M. Lee, H. Lee, J. W. Rabalais 8:50—195. Combined experimental and the oretical study of the radical-surface inter actions during plasma-enhanced chemical vapor deposition of Si films from silane/ hydrogen discharges. E. S. Aydil, D. Maroudas, S. Ramalingam, D. C. Marra, B. F. Hanyaloglu, W. M. M. Kessels, P. Mahalingam, S. P. Walch 9:30—196. Mechanistic picture of growth and microstructure control of amorphous semiconductors. M-S. Lee, S. F. Bent 10:10—197. Radical-surface interactions during plasma processing of electronic materials. E. R. Fisher 10:50—198. Gas-phase chemistry, deposi tion mechanisms, and surface morphology of low dielectric constant pulsed plasma CVD fluorocarbon films. C. B. Labelle, K. K. Gleason 11:30—199. Hydrosilylation on Si-Η termi nated porous silicon surfaces. J. M. Buriak, M. P. Stewart, T. Geders, H. C. Choi


WEDNESDAY MORNING Section A Convention Center Room 221 Advances in Crystal Growth Inhibition Technologies Mechanisms of Crystal Growth Inhibition

Z. Amjad, Organizer, Presiding

Langmuir Lectures

Section C


8:30—Introductory Remarks. 8:40—182. Molecular basis of mineral scale inhibition. M. Tomson, A. Kan, G. Fu, J. Xiao 9:10—183. Influence of incorporated impuri ties on the defect structure of crystals and their role in crystal growth and dissolution. J. N. Sherwood 9:40—184. Influence of foreign metal ions on crystal morphology and transformation of brushite (CaHP0 4 , 2H 2 0). H. E. Lundager Madsen, J. Bech Pedersen 10:10—185. Interaction of sodium polyacrylate with octacalcium phosphate. A. Bigi, E. Boanini, M. Borghi, G. Cojazzi, G. Falini, S. Panzavolta, N. Roveri 10:40—186. Effect of alkylphosphates on the formation and crystallization of calcium phosphates in an aqueous phase. S. Shimabayashi, K. Furukawa, T. Hino 11:10—187. Control of crystallization pro cesses by diblock copolymers. M. Oner 11:40—188. Kinetic effects of impurities on the growth of single crystals from solu tions. K. Sangwal

Convention Center Room 221 Advances in Crystal Growth Inhibition Technologies Biological/Industrial Systems

M. M. Reddy, Presiding 1:30—200. Calcium carbonate and calcium phosphonate scale formation at elevated temperatures: Inhibition. P. G. Klepetsanis, P. G. Koutsoukos, Z. Amjad 2:00—201. Performance of anionic polymers as precipitation inhibitors for calcium phos phonate: The influence of cationic polyelectrolytes. Z. Amjad, R. W. Zuhl, J. A. Thomas-Wohlever 2:30—202. Bisphosphonate bone antiresorptive SAR is dependent on bone affinity considerations. F. H. Ebetino, A. M. Ru ble, A. Ebrahimpour 3:00—203. Calcium pyrophosphate crystal salt forms and the influence of phosphocitrate. J. D. Sallis, A. Wierzbicki, H. S. Cheung 3:30—204. Influence of polymeric and nonpolymeric inhibitors on the precipitation of calcium fluoride. Z. Amjad 4:00—205. Effect of temperature on barium sulfate scale inhibition of diethylenetriamine penta(methylene phosphonic acid). M. Yuan 4:30—206. Nanoparticle synthesis and crystal-growth restriction through clathrate hydrate formation. G. Irvin, S. Li, V. John, G. McPherson, C. O'Connor

Section Β

Section Β



Interfacial Properties on the Submicron Scale Theories and Concepts in Confined Systems

Interfacial Properties on the Submicron Scale Transport Properties in Thin Films and Nanoparticles

J. A. Harrison, Presiding

J. B. Pethica, Presiding

8:30—189. Hard and soft interfacial junc tions. U. Landman 9:10—190. Nanocomposite: Is it a solid col loid? K. R. Sharma 9:30—191. Atomic scale friction: From basic characteristics to control. J. Klafter, M. G. Rozman, V. Zaloj, M. Urbakh 10:10—Intermission. 10:25—192. Deducing energy dissipation from rheological response. M. Urbakh, V. Zaloj, J. Klafter 11:05—193. Forces and force spectroscopy at surface atoms. J. B. Pethica

1:30—207. Nanoscale size effects on semi conducting polymer thin films used in op toelectronic devices. S. A. Jenekhe


2:10—208. Chalcogen-modified semicon ductor nanoparticles: Optical and electron ic effects. N. A. Kotov, T. Ni, J. G. Robles, D. Nagesha, M. Eastman 2:30—209. Interfacial effects in lithium ion in tercalation into ultrathin films selfassembled from graphite oxide nanoplatelets and polymers. T. Cassagneau, J. H. Fendler 2:50—210. IR and electrochemical analysis of alkoxyaniline derivative monolayers. K. C. Schomburg, R. L. McCarley 3:10—Intermission. 3:25—211. Effect of submicron and molec ular-scale defects on transport properties of semiconductor thin films. S. P. Kelty, D. D. Hills-Haney 4:05—212. Effects of electrochemical poten tial and molecular adsorbates on quantum transport of metallic nanowires. C. Shu, N. Tao, C. Li 4:25—213. Palladium nanoparticles stabi lized by alkanethiolate monolayers. S. Chen, K. Huang 4:45—214. Microthermal analysis combined with local chemical analysis by GC-MS and FTIR. M. Reading

Section C Convention Center Room 257 H Processing and Surface Chemistry of Electronic Materials Dielectric Materials: Silicon Dioxide and Beyond

S. F. Bent, Presiding 1:30—215. Silicon-silicon oxide interfaces derived from spherosiloxane clusters: A new structural model. K. Raghavachari, J. Eng Jr. 1:50—216. FTIR studies of Si-Si0 2 interface structure and growth. K. Queeney, M. K. Weldon, Y. J. Chabal, B. B. Stefanov, K. Raghavachari 2:30—217. Low-temperature growth of Si0 2 on Si(100) under UHV conditions using a heated molecular beam of tetraethoxysilane. G. Pirug, H. P. Bonzel, J. Verhasselt, M. Marso, J. Moers 2:50—218. Low-temperature APCVD of Si0 2 from TEOS/ozone. L. D. Flores, C. Tindall, J. E. Crowell 3:30—219. Chemistry of gate dielectrics on silicon. E. Garfunkel, H-C. Lu, T. Gustafsson, M. Green, G. Alers 4:10—220. CVD of high-K dielectric thin films. J. W. Rogers Jr. 4:50—221. Aluminum silicate formation at the Al 2 0 3 -Si interface during low-temper ature (< 400 °C) thermal and plasma dep osition of Al 2 0 3 thin films. G. N. Parsons, T. M. Klein, D. Niu Polymeric Surfactants cosponsored with Division of Polymeric Materials: Science & Engineering (see page 140)

THURSDAY MORNING Section A Convention Center Room 221 Advances in Crystal Growth Inhibition Technologies Polymer-Substrate Interactions

P. G. Koutsoukos, Presiding 8:30—222. Conformation and interaction de termination of acrylamide-based polyelectrolytes adsorbed onto montmorillonite clay. C. McConnell Boykin, R. Y. Lochhead 9:00—223. Complexation of proteins with polymers in an aqueous salt-free water system. E. Kokufuta 9:30—224. Polymer-surfactant interaction and amorphous-phase stabilization in col loids. K. Chari, B. Antalek, J. Kowalczyk 10:00—225. Stabilization of blends of cation ic polyacrylamide macroemulsions and microemulsions and their applications in wastewater treatments. H-L. T. Chen, R. F. Rice 10:30—226. Monitoring and control of poly meric scale inhibitors. J. Richardson, M. G. Trulear 11:00—227. Algicide using anionic polymers to sequester and stabilize copper in an ox idizing aqueous environment. J. Garris

11:30—228. Adsorption studies of tagged polyelectrolytes on crystal surfaces: Indus trial implications. W. M. Hann, T. W. Sanders, N. Pugliano Section Β Convention Center Room 222 Interfacial Properties on the Submicron Scale Rheological and Wetting Properties at Interfaces

J. Sokolov, Presiding 8:30—229. Interfacial properties of specifi cally fluorinated self-assembled monolay er films. T. R. Lee, M. Graupe, H. I. Kim, T. Koini, M. Takenaga, R. Colorado Jr., S. S. Perry 9:10—230. Long-range effects of surface in teractions from 3-D to 2-D. M. H. Rafailovich, J. Sokolov, S. Qu, D. Gersappe, S. Schwarz, H. Ade, A. Winesett 9:50—231. Surface fluidity in dynamic-force microscopy. G. D. Haugstad, J. A. Hammerschmidt, W. L. Gladfelter 10:30—Intermission. 10:45—232. Slip at the wall for simple liquids on lyophobic surface. R. Pit, H. Hervet, L. Léger 11:05—233. Nanocapillarity: Liquid films and droplets on fibers. A. V. Neimark 11:25—234. Interfacial ordering and wetting behavior of dendrimer fluids. S. S. Sheiko, A. I. Buzin, A. M. Muzafarov 11:45—235. Is there an optimal geometry for spreading? J. De Coninck, M. Voué 12:05—236. Rheology of insoluble surfactant monolayers: Brewster angle microscopy and mechanical measurements. D. K. Schwartz, A. Ivanova, G. Bantchev, J. Ignes-Mullol

Section C Convention Center Room 257 H Processing and Surface Chemistry of Electronic Materials Polymeric and Nanocrystalline Materials

E. Garfunkel, Presiding 8:30—237. Dynamics of polymer etching at the gas-surface interface. T. K. Minton, J. Zhang, J. W. Seale, D. J. Garton 9:10—238. Electrochemical polymerization of pyrrole-terminated diaminobutane dendrimer monolayers. C. O. Noble IV, R. L. McCarley 9:30—239. Study of electrically conductive polymer composites prepared by admicellar polymerization. A. D. W. Carswell, W. B. Genetti, X. Wei, B. P. Grady 9:50—240. Synthesis and characterization of micrometer-sized poly(3,4-ethylenedioxythiophene)-coated polystyrene latices. M. A. Khan, S. P. Armes 10:10—241. Electroless deposition of metals on modified poly(methyl methacrylate) surfaces. A. C. Henry, R. L. McCarley 10:30—242. Thermolysis stoichiometries of surface-bound organometallic complexes on indium-tin oxide substrates. K. L. Purvis, G. Lu, J. Schwartz, S. L. Bemasek

*


•

CATALYSIS

•


•


M • *


10:50—243. Stratified thin-film materials prepared by the layer-by-layer assembly of nanoparticles. J. Ostrander, A. Mamedov, M. A. Correa-Duarte, L. M. Liz-Marzan, F. Aliev, N. A. Kotov 11:10—244. One-pot preparation of silicacoated silver nanoparticles in organic solvents. L. M. Liz-Marzan, I. PastorizaSantos 11:30—245. Collective optical properties of nanocrystals organized in 2-D superlatices. M-P. Pileni, T. Afid, C. Petit, V. Russier Polymeric Surfactants cosponsored with Division of Polymeric Materials: Science & Engineering (see page 140) Interfacial Phenomena Involving Cellulosic Materials cosponsored with Cellulose, Paper & Textile Division (see page 74)

THURSDAY AFTERNOON Section A

4:15—258. Temperature-dependent study of contributions to phase imaging in atomic force microscopy. H. Vaswani, V. L. Colvin, S. G. Prilliman, S. T. Robertson, K. S. Hwang 4:55—260. Interfacial and electrochemical properties of ω-substituted surface teth ered monolayers. S. M. Kilbey II, J. T. Sullivan, Κ. Ε. Harrison Polymeric Surfactants cosponsored with Division of Polymeric Materials: Science & Engineering (see page 141) Interfacial Phenomena Involving Cellulosic Materials cosponsored with Cellulose, Paper & Textile Division (see page 74)

Z. Amjad, Presiding 1:30—246. Inhibition of calcite growth by dissolved organic carbon (DOC) isolated from the Florida Everglades. A. R. Hoch, M. M. Reddy, G. R. Aiken 2:00—247. Influence of organic acids on the crystal log raphic phase of calcium carbonate precipitated from aqueous solutions. P. W. Carter, R. V. Davis, S. R. Hatch, W. J. Swanson 2:30—248. Crystal growth of calcium carbonate in artificial seawater: The effect of temperature and of the presence of inhibitors. E. Kladi, T. Ostvold, P. G. Klepetsanis, Z. Amjad, P. G. Koutsoukos 3:00—249. Inhibition of calcium phosphate precipitation by polymers in the presence of iron(lll): The influence of chelating agents. Z. Amjad, J. F. Zibrida, J. A. Thomas-Wohlever 3:30—250. Inorganic mineral scale control in sugar evaporators using scale inhibitors. J. S. Gill 4:00—251. Effect of the degree of polymerization on the inhibition properties of polyepoxysuccinic acid. L. A. Perez, W. J. Palardy 4:30—252. Rational development of new cooling water chemical treatment programs for scale and microbial control. K. D. Demadis, B. Yang, D. L. Kouznetsov, P. R. Young, K. Sotoudeh, D. G. Kelley

Section Β Convention Center Room 222 Interfacial Properties on the Submicron Scale Polymer and Organic Thin-Film Structures and Properties at Interfaces

J. E. Frommer, Presiding 2:00—253. Nanoprobing interfacial proper ties of composite polymer films. V. V. Tsukruk 2:40—259. Nanomechanical properties of electromechanical polypropylene films as determined by SPM. J. P. K. Peltonen, M. Paajanen, J. Lekkala 3:00—255. Different length scales in surface structure of thin film of a novel ionomer. D. Perahia, X. Jiao, B. Thomas, D. D. DesMarteua, D. Carrol 3:20—256. Temperature dependence of ag gregation state and friction force of organotrichlorosilane monolayers. A. Takahara, K. Kojio, T. Kajiyama 3:40—Intermission. 3:55—257. Structural properties of selfassembled monolayers (SAMs) generated from terminally fluorinated alkanethiols on gold. R. Colorado Jr., M. Graupe, Ο. Ε. Shmakova, R. J. Villazana, T. R. Lee 4:05—254. Model chromatographic surfaces studied by sum-frequency generation spectroscopy at the solid-liquid interface. M. C. Messmer, L. K. Wolf, Y. J. Yang, R. L. Pizzolatto

Section C Convention Center Room 219 • Bioenergetics

R. A. Wheeler, Organizer, Presiding

COMP

Convention Center Room 221 Advances in Crystal Growth Inhibition Technologies Industrial Systems

10:00—7. CI expansions for electronic g-tensor calculations: Applications to semicon ductor defects. G. H. Lushington 10:20—Intermission. 10:35—8. What is the resistance of a mole cule? S. Datta 11:15—9. Polymer ionization energies and electron affinities: Polyacetylene. D. S. Dudis, A. T. Yeates 11:35—10. Electron transfer in dentritic macromolecules. T. S. Elicker, D. G. Evans

DIVISION OF COMPUTERS IN CHEMISTRY M. D. Ryan, Program Chair

8:30—11. Retinal's photoisomerization in bacteriorhodopsin. F. Molnar, M. Ben-Nun, J. Baudry, T. J. Martinez, K. Schulten 9:30—Intermission. 10:00—12. Structure and thermodynamics in bacteriorhodopsin. J. C. Smith, J. Baudry, S. Crouzy, B. Roux 11:00—13. Simulating energy flow in tuna cytochrome c after electron transfer. Q. Wang, C. F. Wong, H. Rabitz, J. A. McCammon • Combinatorial Chemical Information cosponsored with Division of Chemical Information (see page 79)

SUNDAY AFTERNOON Section A SOCIAL EVENT: Poster Session, Mixer, Tue

Convention Center Room 225-226 Docking and Scoring

M. Snow, Presiding

SUNDAY MORNING Section A Convention Center Room 225-226 Docking and Scoring

K. Ohta, Organizer, Presiding 9:00—1. Protein-ligand binding and lead op timization via Monte Carlo simulations. W. L. Jorgensen, J. Tirado-Rives 9:40—2. Hierarchical algorithm for rapidly docking ligands into a protein-binding site using a grid-based scoring function. R. A. Friesner 10:20—Intermission. 10:35—3. Prediction of free energy of bind ing for charged ligands using the linear re sponse approximation method. L. S. Narasimhan, C. J. Blankley, C. Humblet, M. Snow 11:15—4. Computation and visualization of protein-ligand binding interactions. E. O. Purisima, V. Vasilyev, T. Sulea

Section Β Convention Center Room 224 Nonlinear Optical and Electronic Materials Electronics Modeling (General)/Molecular Electronics Cosponsored with Division of Physical Chemistry

S. P. Kama, Organizer H. A. Kurtz, R. Pearlman, Presiding 8:30—Introductory Remarks. 8:40—5. Atomic-scale modeling of electroactive materials: Investigation of contempo rary and next-generation devices. R. D. Pugh 9:20—6. Multimillion-atom molecular dynam ics simulation of nanostructured materials on parallel computers. R. K. Kalia

2:00—14. Approaches to describe and pre dict protein-ligand interactions. G. Klebe, M. Hendlich, H. Gohlke 2:40—15. Working toward a consensusscoring function. R. Clark, A. Strizhev, A. Nayeem 3:20—Intermission. 3:35—16. Evaluation of scoring functions for protein-ligand docking. W. P. Walters, P. S. Charifson, J. J. Corkery, M. A. Murcko 4:15—17. Projeads: A new approach to mo lecular docking and its application in screening compound libraries. C. A. Bax ter, C. W. Murray, B. Waszkowycz, J. Li

Section Β Convention Center Room 224 Nonlinear Optical and Electronic Materials Proton/Deuteron in Si/Si0 2 : Defects in Si/Si0 2 Cosponsored with Division of Physical Chemistry

D. J. Chadi, G. Pacchioni, Presiding 1:30—18. Nonvolatile memory application using mobile protons in the gate oxide. K. Vanheusden, R. A. B. Devine, D. M. Fleetwood, W. L. Warren 2:00—19. Hydrogen in metal-oxide semicon ductors. H. A. Kurtz 2:30—20. Isotope effect in hot electron tran sistor degradation by hydrogen desorption. B. Tuttle, K. Hess 3:00—21. Simulating atomic-scale process es in silica. D. R. Hamann 3:40—22. Point defects in silcon dioxide and silicon nitride. G. Pacchioni 4:20—23. First-principles study of oxygen deficient defects in silicate and germanosilicate glasses. K. Raghavachari 4:40—24. Effect of charge trapping on the microscopic structure of oxygen vacancy centers in amorphous Si0 2 . A. C. Pineda, S. P. Kama


JULY 26, 1999 C&EN 8 5

COMP/TECHNICAL PROGRAM


R. A. Wheeler, Presiding 1:30—25. How does nitrogenase work? D. N. Beratan, I. V. Kumikov 2:30—26. Studies on the initial photochemi cal event in photosynthetic systems. M. C. Zerner 3:30—27. Nuclear dynamics and electronic transition in a photosynthetic reaction cen ter. M. Marchi, M. Souaille, M. Ceccarelli

2:05—39. Education with molecular model ing: Quantum chemistry for the masses. W. J. Hehre 2:40—40. Review of semiempirical codes and their impact. J. J. P. Stewart 3:15—Intermission. 3:30—41. Computer-aided drug discovery: Impact on human health, computing, and commerce. P. Gund 4:05—42. Chemistry and the Internet: Per spectives on the future. S. M. Bachrach

Section Β Convention Center Room 224

• Combinatorial Chemical Information cosponsored with Division of Chemical Information (see page 79)

Nonlinear Optical and Electronic Materials NLA/TPA: Organic LEDs

MONDAY MORNING

Cosponsored with Division of Physical Chemistry

Section A Convention Center Room 225-227 • Celebrating the 25th Anniversary of the Division of Computers in Chemistry

R. Pearlman, P. Kutzenco, Organizers R. Pearlman, Presiding 8:30—Introductory Remarks. G. Famini, T. Pierce. 8:45—28. When COMP was created and how and why. P. Lykos 9:30—29. Chemical structures and chemical reactions using computers. T. Wipke 10:15—Intermission. 10:30—30. Some call the world a dreary place. R. E. Dessy 11:05—31. Historical review of molecular modeling. B. Gelin

Section Β Convention Center Room 224 Nonlinear Optical and Electronic Materials NLO/Expt: NLO/Theory Cosponsored with Division of Physical Chemistry

R. J. Bartlett, H. Agren, Presiding 8:30—Introductory Remarks. 8:35—32. Novel organic photorefractive structures with high gain and fastresponse time. S. Bartkiewicz, A. Miniewicz, F. Kajzar, M. Zagorska 9:15—33. From fundamentals of two-photon processes to cellular mechanism of che motherapy to 3-D memory. P. N. Prasad, A. Schally, C. Liebow, A. A. Nagy, H. Pudavar, X. Wang, L. J. Krebs, J. Swiatkewicz, B. A. Reinhardt, C. Chong, K. S. Kim, T. C. Lin 9:55—34. Structure-property relationships of two-photon absorbing heterocyclic aro matic dyes. J. W. Baur, M. D. Alexander Jr., B. A. Reinhardt, R. A. Vaia, S. M. Kirkpatrick, R. Kannan 10:15—Intermission. 10:30—35. Density functional theory for NLO: Success or failure? R. J. Bartlett, C. Hirata, C. Jamorski, S. Ivanov 11:10—36. Trends and perspectives in elec tric hyperpolarizability calculations. G. Maroulis 11:40—37. On the importance of the vibra tional contributions to the hyperpolarizabilities of conjugated organic materials. B. R. Champagne • Combinatorial Chemical Information cosponsored with Division of Chemical Information (see page 79)

M. C. Zerner, G. C. Schatz, Presiding 1:30—43. Conjugated molecules with large two-photon cross sections. J. W. Perry, S. P. Ananthavel, S. M. Kuebler, S. R. Marder, M. Rumi, D. L. Dyer, M. D. Levin, D. McCord-Maughon, H. Rôckel, B. H. Cumpston, A. A. Heikal, J. E. Ehrlich, D. Beljonne, T. Kogej, J-L. Brédas 2:10—44. Design of organic conjugated chromophores with large two-photon absorption cross sections. D. Beljonne, J-L. Brédas 2:30—45. "Sum over state" revisited. H. Sekino 3:00—Intermission. 3:15—46. Calculations on the electroluminescent properties of lanthanide-doped materials. M. C. Zerner, T. O'Brien 3:55—47. Novel methods for color-tuning in organic LEDs. M. E. Thompson, S. R. Forrest, P. E. Burrows 4:35—48. Organic light-emitting diodes: Exciton motion and control mechanisms. M. A. Ratner • Combinatorial Chemical Information cosponsored with Division of Chemical Information (see page 80)


M. D. Ryan, Organizer, Presiding 8:00-10:30

Section Β

Section A

Nonlinear Optical and Electronic Materials Electronics: Theory/Modeling Cosponsored with Division of Physical Chemistry

S. P. Kama, Presiding 8:3fJ—53. Reliable predictor of dopant activi ty in zinc blende semiconductors: Theory. D. J. Chadi 9:10—54. Doping and growth of group-3 ni trides. J. Neugebauer, C. G. Van de Walle 9:50—55. Disorder effects in the electronic response of an array of quantum dots. F. Remade 10:10—Intermission. 10:20—56. Hartree-Fock cluster procedure for electronic structures and associated properties of solid-state systems and large molecules. T. P. Das 10:50—57. Local and global bonding at the Si-Si0 2 interface. S. T. Pantelides, R. Buczko, M. Ramamoorthy, G. Duscher, S. J. Pennycook 11:20—58. Theoretical study of the micro scopic structure and nonlinear optical properties of radiation-induced defects in a-Si0 2 . A. M. Ferreira, H. A. Kurtz, S. P. Kama

Section C

• Bioenergetics

R. A. Wheeler, Presiding 8:30—59. Toward ab initio theory of electrontransfer reactions in proteins. A. Stuchebrukhov 9:15—60. Electron tunneling in proteins: Be yond the Pathways Model. J. N. Onuchic, I. Balabin 10:00—Intermission. 10:30—61. Energetics of the electron trans fer from Qa to Qb for the light and dark adapted reaction centers. E. W. Knapp, B. Rabenstein, M. G. Ullmann 11:15—62. Structural, thermochemical, and binding properties of quinones and their anions in the photosynthetic reaction cen ter of Rhodobacter sphaeroides. R. A. Wheeler

Section D Convention Center Room 231

TUESDAY MORNING Section A Convention Center Room 225-226 Docking and Scoring

K. Ohta, Organizer Y. Martin, Presiding 9:00—49. Virtual "SAR by NMR." P. W. Rose, B. A. Luty, L. Schaffer, T. J. Marrone 9:40—50. Incorporating flexibility, solvation, and molecular diversity in ligand screening. L A. Kuhn, V. Schnecke 10:20—Intermission. 10:35—51. Protein-ligand docking with a knowledge-based scoring function. I. Muegge 11:15—52. Simulating affinity fingerprints: Statistical relationships among docking scores for different protein-binding sites. R. T. Koehler, H. O. Villar

Convention Center Room 225-226 Docking and Scoring

R. Pearlman, Presiding 2:00—67. Prediction of ligand-binding modes via energy-based genetic algorithm dock ing. G. P. Brady Jr. 2:35—68. Docking strategies that account for ligand flexibility. D. Joseph-McCarthy, B. E. Thomas IV, J. C. Alvarez 3:10—Intermission. 3:25—69. Surface signatures: A new ap proach for fast database docking. R. J. Zauhar, W. J. Welsh, G. Moyna 4:00—70. Free energy functions for protein discrimination and docking. S. Vajda, C. J. Camacho, R. S. Kimura, S. Dennis 4:30—71. Docking studies of salicylhydrazine inhibitors to the HIV-1 integrase cata lytic domain. A. L. Parrill, G. B. Ray

Section Β Convention Center Room 224 Nonlinear Optical and Electronic Materials NLO/Expt + Modeling (General): NLO/ Solvent Effects/Theory Cosponsored with Division of Physical Chemistry

B. Kirtman, K. Ohta, Presiding


87, 92, 93, 96, 106, 114, 124, 130, 132, 137. See subsequent listings.

TUESDAY AFTERNOON


• Bridging the Gap: Theoretical Chemistry to Drug Design Cosponsored with Younger Chemists Committee

T. Heritage, L. Balbes, Organizers T. Heritage, Presiding 9:00—Introductory Remarks. 9:15—63. Computational chemistry and drug design methods: What to teach and what not to teach? J. P. Bowen 10:15—64. QSAR and drug design: Perspec tives from industry and academia. G. B. McGaughey 10:45—Intermission. 11:00—65. From a government lab to the pharmaceutical industry: Perspectives and experiences. M. S. Head 11:30—66. Here be monsters: Pitfalls for the new computational chemist. A. J. Holder

1:30—72. Mechanism of ultrafast nonlinear optical response in organic molecular ma terials studied by experimental observa tion and theoretical calculation. K. Ohta 2:00—73. Nonlinear absorption spectra of transparent organic materials (molecules, crystals, and nanocrystals): A comprehen sive experimental and theoretical study. P. L. Baldeck 2:30—74. Low-melting, mixed organic-inor ganic salts as nonlinear optical materials. J. S. Wilkes, A. T. Yeates 3:00—Intermission. 3:20—75. Quantum and semiclassical mod eling of solvent effects on NLO properties. H. Agren 4:00—76. Medium effects on molecular non linear optical properties: Theory and appli cations in the polarizable continuum model. R. Cammi, B. Mennucci, J. Tomasi 4:30—77. Computational approaches toward the nonlinear optical properties of conju gated organic polymers in the solid-state. B. Kirtman


R. A. Wheeler, Presiding 1:30—78. Theory of dissociative protoncoupled electron-transfer reactions. R. I. Cukier 2:30—79. Theoretical studies of the Grotthuss mechanism in membrane proteins. R. Pomes 3:30—80. Simulating proton translocations in proteins: Probing proton transfer pathways in the Rhodobacter sphaeroides reaction center. A. Warshel, Y. Y. Sham, I. Muegge

Section D Convention Center Room 231 • Bridging the Gap: Theoretical Chemistry to Drug Design Cosponsored with Younger Chemists Committee

MONDAY AFTERNOON

L. Balbes, Presiding Section A

Convention Center Room 225-227 • Celebrating the 25th Anniversary of the Division of Computers in Chemistry

P. Kutzneco, Presiding 1:30—38. From pen-and-ink to Star Trek and beyond: Some personal reflections on five decades in molecular graphics. R. Langridge

8 6 JULY 26, 1999 C&EN


1:30—81. Balancing the needs of the recruit ers and the aims of the educators. W. A. Warr 2:00—82. What I wish I knew then . . . and sort of know now. D. S. Hartsough 2:30—Intermission. 2:45—83. What skills do computational chemists need to make them effective at computer-assisted drug design in an in dustrial environment? M. Cory 3:15—84. Modeling ADME parameters of a drug. R. J. Vaz

3:45—85. Excited-state career transitions between computational chemistry and in formatics: A personal perspective. W. E. Reiher III 4:15—Discussion.

TUESDAY EVENING Marriott Exhibit Hall Poster Session General Computational Chemistry

M. D. Ryan, Organizer, Presiding 7:00-9:00 86. Comparative molecular field analysis on cyclic urea compounds as HIV-1 protease inhibitors. X. Wang, W. J. Welsh 87. Crystallographic evidence for a strong sulfur-aromatic interaction. R. J. Zauhar, C. L. Colbert, R. S. Morgan, W. J. Welsh 88. Design and synthesis of diboronic acids: Reversible inhibitors of cathepsin Β for the therapeutic treatment of cancer. S. Puri, G. D. Duncan, W. J. Welsh 89. Discovery of novel inhibitors of the papil lomavirus E6 protein mediated p53 degra dation by 3-D database searching. J. H. Voigt, E. J. Androphy, J. J. Chen, M. C. Nicklaus, J. D. Baleja 90. Molecular modeling of HIV protease in hibitors. C. Parish, T. Lyons 91. 3-D molecular determinants of estrogenreceptor isoforms. A. Bhat, R. Abagyan 92. Ab initio derived force field for biomolecular applications with explicit treatment of electrostatic polarizability. G. A. Kaminski, H. A. Stern, J. L. Banks, R. Zhou, R. A. Friesner, B. J. Berne 93. Scoring index to evaluate docked struc tures of peptide-protein complexes. R. Casadio, I. Rossi, E. Arnofi, P. Fariselli 94. Prediction of the binding site of paclitaxel, epothilone, and discodermolide on tu bulin by docking studies. J. B. Bhonsle, M. A. Avery 95. Generating a model of the protein-ligand complex of p56 /d( tyrosine kinase SH2 do main and an oxamic acid dipeptide (a nonhydrolysable, monocharged phosphate re placement). D. R. Cameron, P. L. Beaulieu, J-M. Ferland, J. Gauthier, E. Ghiro, J. Gillard, V. Gorys, M. Poirier, J. Rancourt, D. Wernic, M. Uinàs-Brunet, R. Betageri, M. Cardozo, E. R. Hickey, R. Ingraham, S. Jakes, A. Kabcenell, T. Kirrane, S. Lukas, U. Patel, J. Proudfoot, R. Sharma, L. Tong, N. Moss 96. Calculated inhibitor-enzyme binding affinities and 3-D-QSAR comparative molecular-field analysis (CoMFA) studies on a series of Ritonavir (ABT-538) analogs as HIV-1 protease inhibitors. P. Jayatilleke, A. C. Nair, R. Zauhar, W. J. Welsh 97. Application of TLSER molecular descriptors to rate constants. G. R. Famini, L. Y. Wilson, D. Tran 98. Computational studies of Raloxifene (Evista^) derivatives as estrogen receptor modulators: Construction of 3-D-QSAR/ CoMFA and hologram QSAR (HQSAR) models as guides for drug design efforts. W. J. Welsh, S-J. Yu, D. C. Derington, R. J. Greco 99. Computational study of somatostatin analogs: 3-D QSAR prediction of somatostatin receptor subtype 2 (sst2) binding affinities. A. C. Nair, S-J. Yu, W. J. Welsh, S. Achilefu

•


• •

CATALYSIS CHEMISTRY A COMPUTERS

A

ENVIRONMENTAL ISSUES H MATERIALS

•

PETROCHEMICALS

•


100. Molecular skeleton analysis and its application for NMDA/glycine/kynurenic-binding complex. G. Liang, S. Li, Y. Gu, A. Lewin, J. P. Bowen 101. Prediction of vapor pressure of hydrocarbons and halocarbons from molecular structure. E. S. Goll, P. C. Jurs 102. Prediction of hydroxyl radical rate constants from molecular structure. G. A. Bakken, P. C. Jurs 103. Monte Carlo studies of stochastic resonance in bimolecular rapid reactions. H. L. Martinez 104. Energetics of amino acidation. E. C. M. Chen, A. K. Evanson, J. Miller 105. Computational study of ionization potential and proton transfer in small clusters of 2,5-dihydroxybenzoic acid. E. F. Archibong, G. R. Kinsel, D. S. Marynick 106. Coenzyme B12 chemistry: Insights from a computational study. M. Torrent, D. G. Musaev, S-C. Ke, K. Warncke, K. Morokuma 107. Solvent effects on free energies of solvation for organic solutes using Monte Carlo statistical mechanics simulations and ab initio method. H-S. Kim 108. Application of linear-scaling semiempirical, methods to the study of enzyme reaction mechanisms. S. J. Titmuss, J. E. Gready, A. P. Rendell, A. A. Bliznyuk 109. Coupled semiempirical quantum mechanics and molecular mechanics (QM/ MM) model. P. L Cummins, J. E. Gready 110. Combined QM/MM simulations in water and in the active site of a chorismate mutase enzyme: Study of the enzymatic rearrangement and analysis of the factors contributing to catalysis. C. Alhambra, K. Byun, J. Gao 111. QM/MM boundaries across covalent bonds: Proton affinities of amino acids and small peptides. J. H. Jensen, V. Kairys 112. Simulation of phosphate ester hydrolysis. P. D. Lyne, O. A. Walsh 113. Reaction energetics of catechol O-methyltransferase: A combined ab initio/free energy approach. B. Kuhn, P. A. Kollman 114. Using the effective fragment-potential model to study the solvation of acetic and formic acids. M. A. Freitag, M. S. Gordon 115. Semiexplicit solvation of biomolecules through a surface of active polarons (SOAP). S. R. Kimura, R. C. Brower, S. Vajda 116. Efficient algorithm for the calculation of the two-center overlap integrals with noninteger η Slater-type orbitals (NISTOs). A. Baba-Ahmed, S. M. Mekelleche 117. Density functional theory studies of hexamine triperoxide diamine. A. Wierzbicki, E. Cioffi 118. Modeling the α-chlorothioethers: Poten tial applications in the synthesis of novel α-amino acids. D. A. Osborne, A. B. Dribben, D. H. Magers 119. On the mechanism of Diels-Alder reac tions. A. Baba-Ahmed, F. Berrahoui 120. Ring strain in the oxadiazetidines. C. W. Benton, D. H. Magers 121. Structure of 2-aminonicotinic acid. W. R. Dreher Jr., E. J. Valente, D. H. Magers 122. Theoretical studies of the additions of germylenes to ethylene. M-D. Su, S-Y. Chu 123. Topology of the charge distribution of the silanol-thiophene Van der Waals com plex: Ab initio and DFT study. H. Soscun, J. Hernandez, O. Castellano 124. Use of the CURES-EC method in calcu lating electron affinities of triatomic mole cules. E. C. M. Chen, D. J. Hays, H. Allen 125. Modeling reactions at solid-liquid inter faces using hybrid QM/MM methods: A comparative study. R. A. Bryce, K. Wright, I. H. Hillier 126. C-H bond dissociation enthalpies of substituted phenyl-X and vinyl-X systems. P. S. Broughton, C. M. Hadad 127. Chirality in chloroi:[2-[1-(S)-(dimethylamino)ethyl]phenyl-C1,A/t] Hg(ll). R. Jiménez-Cataxo, E. Aceves-De-Alba 128. Radical addition and Η-atom abstraction processes with polycyclic aromatic hydro carbons. P. S. Broughton, C. Barckholtz, C. M. Hadad 129. Searches on the potential energy sur faces of BNH2, BPH2, AINH2, and AIPH2. J. H. Youngblood, C. W. Benton, D. H. Magers

130. Ab initio study of the adsorption of MNA on Η-terminated Si(100) surface modeled by Si m H n clusters. S. M. Black, C. SappMobley 131. Basis set and electron correlation ef fects in electric polarizability and hyperpolarizability calculations for 0 3 , S0 2 , Se0 2 and Te0 2 . G. Maroulis, D. Xenides 132. Electronic structure studies of group 3-5 clusters. P. P. Korambath, S. P. Karna 133. Hyperpolarizability of C2X4 (X=H, F, CI, Br and I). G. Maroulis, P. Karamanis 134. Nonlinear optical properties and molec ular vibration of π-conjugated frames: Polyenes and polyynes. K. S. Kim, J. Y. Lee, S. B. Suh 135. Photoswitch and nonlinear optical switch: Theoretical studies on diarylethylene derivatives. K. S. Kim, H. M. Lee, D. Majumdar, J. Kim 136. Quantum chemical studies of C 36 and its hydrogénation products. M. E. Colvin, N. L. Tran, J. C. Grossman, C. L Janssen 137. Are fullerenes and carbon nanotubes viable candidates for η 6 metal ligands? S. K. Goh, D. S. Marynick 138. Conformational energy surface of 1,3,5trisilacylohexane and silacyclohexane. I. Arnason, G. K. Thorarinsson, E. Matern 139. Simulation of nylon-6 polymerization in homogeneous continuous stirred tank re actors. J. Lin, T. Chen 140. Comparative study of dipole moments. P. M. Todebush, B. Ma, J-H. Lii, J. P. Bo wen, N. L. Allinger 141. Expert system assisted pharmacophore identification. Α. Κ. Τ. Ting, P. Johnson, S. Green, R. McGuire, J. Kaur

WEDNESDAY MORNING Section A Convention Center Room 225-226 • QM/MM Methods Development of Novel QM/MM Methodologies

Y. Martin, Organizer, Presiding 9:00—144. Nonadiabatic molecular dynamics of charge transfer reactions. S. HammesSchiffer 9:35—143. QM/MM methods for solvation and surface chemistry. M. S. Gordon, C. H. Choi 10:10—142. Hybrid quantum mechanical/ molecular mechanical scheme based on linear-scaling electronic structure meth ods. D. M. York 10:45—145. Fully quantum mechanical cal culations on solvated biomolecular sys tems: New insights and implications for QM/MM simulation techniques. A. van der Vaart, Κ. Μ. Merz Jr. 11:20—146. QM/MM boundaries across co valent bonds: A frozen LMO-based ap proach for the effective fragment potential method. J. H. Jensen, V. Kairys 11:45—147. Theory of a charge-transparent interface between QM and MM regions in combined QM/MM methods of molecular modeling. I. B. Bersuker

Section Β Convention Center Room 224 Nonlinear Optical and Electronic Materials Nanoclusters: NLO/Bulk-Solvent Effect

9:10—149. Generalized tight-binding molec ular dynamics simulations of C x B y N z nanotube-based electronics and electromechanics. D. Srivastava 9:50—150. Ab initio calculation of dimensional changes as a function of charge injection for carbon nanotube artificial muscles. M. Kertesz, G. Sun, J. Kurti, R. Baughman 10:10—151. Electrical properties of distorted carbon nanotubes. A. Rochefort, P. Avouris, D. R. Salahub 10:30—Intermission. 10:45—152. Modeling the influence of intermolecular electrostatic interactions on electric poling induced electro-optic activi ty. L. R. Dalton, B. H. Robinson 11:25—153. Ab initio model for solvent ef fects in organic molecules. G. P. Das 11:55—154. Two valence bond state models for molecular nonlinear optical properties: Nonequilibrium solvation formulation. W. H. Thompson, M. Blanchard-Desce, J. T. Hynes

Section C Convention Center Room 219 • Bridging the Gap: Theoretical Chemistry to Drug Design Cosponsored with Younger Chemists Committee

L. Balbes, Presiding 9:00—Introductory Remarks. 9:15—155. Ph.D. program specifically de signed for industrial CADD. R. S. Pearlman 10:15—156. Computer-aided drug design education and training at the University of Mississippi. R. D. Sindelar, M. A. Avery, J. K. Buolamwini 10:45—Intermission. 11:00—157. Making theoretical chemistry "useful" through computational chemistry. W. J. Welsh 11:30—158. Road from the graduate school to the industry is paved . . . ? A. Tropsha

WEDNESDAY AFTERNOON Section A Convention Center Room 225-226 • QM/MM Methods Applications: From Condensed Phases to Surfaces

J. Gao, Presiding 2:00—159. Simulations of enzymatic reac tions and computation of kinetic isotope effects. J. Gao 2:35—160. Density functional theory applied to very large systems: A QM/MM study of chemical reactivity of zeolites. N. Ferré, J. Ângyân, X. Assfeld, J-L. Rivail 2:55—161. Modeling of surface reaction with combined-force molecular dynamics. M. Frenklach 3:30—162. DFT, force fields, and MD for hydrogen bonds, proton transfer, and solvated ions. D. R. Salahub 4:05—163. Cycloaddition reactions of 1,3cyclohexadiene on silicon (001) surface using the SIMOMM: Diels-Alder or not? C. H. Choi, M. S. Gordon 4:30—164. Multiparticle and multidimensional hydrogen wavefunctions. S. P. Webb, S. Hammes-Schiffer

Section Β

Cosponsored with Division of Physical Chemistry


R. K. Kalia, J. S. Wilkes, Presiding

Nonlinear Optical and Electronic Materials Cosponsored with Division of Physical Chemistry

8:30—148. Linear and nonlinear electrody namics of noble-metal nanoparticles. G. C. Schatz, T. Jensen, L. Kelly, A. Lazarides

P. P. Korambath, D. S. Dudis, Presiding 1:30—165. Hyper-Rayleigh scattering at 1907 nm to measure the first hyperpolariz ability of nonlinear optical chromophores. J. N. Woodford, C. H. Wang


JULY 26, 1999 C&EN 8 7

COMP/ENVFVTECHNICAL PROGRAM

2:00—166. Theoretical investigation of elec tronic structures and optical band gaps for 1,2-phenylamino squaraine polymers. X. Duan, D. S. Dudis 2:20—167. Rotational and collision-induced contributions to the third-order nonlinear optical response of liquid CS2. K. Kiyohara, K. Kamada, K. Ohta 2:40—-Intermission. 2:55—168. Polymeric Langmuir-Blodgett films for nonlinear optics. A. M. Ritcey 3:25—169. Electronic structure calculations of materials for optical limiting applications. K. A. Nguyen, P. N. Day, R. Pachter 3:45—170. Modeling nonlinear optical prop erties of inorganic complexes. T. Zhou, T. R. Cundari, H. A. Kurtz 4:15—171. Electrical and optical properties of paramagnetic systems: A time-de pendent unrestricted Hartree-Fock study. S. P. Kama

Section C Convention Center Room 219 • Bridging the Gap: Theoretical Chemistry to Drug Design Cosponsored with Younger Chemists Committee

T. Heritage, Presiding 1:30—172. Computational chemistry in the undergraduate/graduate classroom. T. Holme 2:00—173. Drug docking and other computa tional methods in an undergraduate/grad uate biochemistry course. P. H. Draves 2:30—Intermission. 2:45—174. Needed: Computational chemist, prefer experience in . . . . J. B. Dunbar 3:15—175. Finding the needle in a haystack: Synergy between rational and combinato rial drug design. O. F. Guner, R. D. Brown, E. A. Jamois, M. Waldman 3:45—Intermission. 4:00—176. Computational chemistry in a high-throughput drug discovery environ ment. E. Hodgkin 4:30—177. Applications of computational chemistry in biotechnology and medical di agnostics. J. B. Pitner 5:00—Discussion. Modern Electronic Structure Theory: Celebrating the 1998 Nobel Prize in Chemistry cosponsored with Division of Physical Chemistry (see page 125)

THURSDAY MORNING Section A Convention Center Room 225-226 • QM/MM Methods Applications: Biological Systems

Y. Martin, Presiding 8:30—178. Application of free energy pertur bation QM/(MM+MD) methods to the study of proton affinities in enzyme-active sites. P. L. Cummins, J. E. Gready 9:05—179. Proton and hydride ion transfers in biological systems modeled by QM/MM methods. I. H. Hillier, N. A. Burton, R. M. Nicoll, D. W. Sheppard 9:40—180. Simulations of chemical reactions in proteins and solutions by ab initio and related approaches. A. Warshel 10:15—181. Investigation of enzyme reactiv ity using MM, QM/MM and linear scaling approaches: Human fibroblast collagenase. G. Monard, K. M. Merz Jr. 10:50—182. Ab initio molecular dynamics study on the active site of HIV-1 protease. P. Stefano, P. Carloni 11:10—183. Studying enzyme reactions with a pseudo-bond ab initio QM/MM approach. Y. Zhang, W. Yang

Section Β

THURSDAY AFTERNOON


Section A Convention Center Room 225-226

• Protein-Protein Interactions

M. D. Ryan, Organizer, Presiding 9:00—184. Computer modeling of flexible protein-protein and protein-DNA docking. M. J. E. Sternberg, P. Aloy, H. A. Gabb, R. M. Jackson, G. Moont, E. Querol, F. X. Aviles 9:45—185. Systematic study of low-resolution recognition in protein-protein complexes. I. A. Vakser, O. G. Matar, C. F. Lam 10:15—Intermission. 10:30—186. Rigid and flexible docking and structural-matching techniques. R. Nussinov, R. Norel, B. Sandak, G. Verbitsky, H. Wolfson 11:15—187. Estimating protein-protein inter actions by mapping interfaces. R. R. Gabdoulline, R. C. Wade 11:45—188. Protein folding and the influence of secondary structure on hydrogen bond energies and peptide group planarity. S. W. Rick, R. E. Cachau

Section C Convention Center Room 219 Drug Design and Biomolecules

M. D. Ryan, Organizer K. Ohta, Presiding 9:00—189. Molecular docking: A pharma cophore approach. Β. Ε. Thomas IV, D. Joseph-McCarthy, M. Belmarsh, D. Moustaka, J. C. Alvarez 9:20—190. Dynamic models of the /V-benzyladriamycin-14-valerate complex with the C1b domain of protein kinase C-δ. A. L. Parrill, J. B. Roaten, T. Sweatman, M. Is rael 9:40—191. Structure-activity relationships (SAR) for human cyclin-dependent kinase 4 (CDK4)/cyclin D with novel CDK inhibi tors using a CDK4 homology model. L Schaffer, P. W. Rose, W. K. M. Chong, L. Li, R. K. Duvadie, J. Nonomiya, D. R. Knighton, R. Ferre, Y. M. Yang, S. S. Chu, K. D. Tucker, W. Sisson, R. M. Aust, C. T. Lewis 10:00—192. Comparative molecular field analysis (CoMFA) QSAR study of conformationally restricted cinnamyl HIV integrase inhibitors. J. K. Buolamwini 10:20—Intermission. 10:30—193. Computational studies on HIV-1 protease inhibitors: Influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3-D-QSAR compara tive molecular field analysis (CoMFA) models. P. Jayatilleke, A. C. Nair, R. Zauhar, W. J. Welsh 10:50—194. Effect of charge state of His110 and NADPH at the active site of aldose re ductase on the binding affinity of tightbinding inhibitor tolrestat. Y. S. Lee, K. Sugiyama, P. F. Kador 11:10—195. Homology model of Mycobacte rium tuberculosis glutamine fructose-6phosphate amidotransferase (GFAT). N. G. J. Richards, T. C. Sintjago 11:30—196. Computational strategy for the rational design of HIV-1 protease inhibitors that are effective against mutant enzymes. A. C. Nair, P. Jayatilleke, R. Zauhar, W. J. Welsh 11:50—197. Molecular modeling and auto mated receptor docking of selective μ-agonists on the μ-opioid receptor. D. Fer guson, G. Subramanian, M. Paterlini • Computer Software for Environmental Chemistry Education cosponsored with Division of Environmental Chemistry (see page 90) Modern Electronic Structure Theory: Celebrating the 1998 Nobel Prize in Chemistry cosponsored with Division of Physical Chemistry (see page 127)

ENVR

Metallosystems

M. D. Ryan, Organizer 1:30—198. Web-based resource for metalloprotein research: The metalloprotein site database and browser. J. M. Castagnetto, S. W. Hennessy, M. Pique, E. D. Getzoff, J. A. Tainer 2:00—199. Computational studies of the electronic structure of the Fe(lll) center in nitrile hydratase. N. G. J. Richards, A. J. Boone 2:20—200. Use of nonstandard parameters for Becke's three-parameter hybrid func tional: Its application to density functional studies of transition metals. E. J. Thomas III, P. Lane, J. S. Murray, P. Politzer, C. J. O'Connor 2:50—Intermission. 3:05—201. PM3(tm) parameterization using genetic algorithms. J. Deng, T. Cundari, W. Fu Jr. 3:35—202. Computational studies of titanium imidos carbon-hydrogen bond activation. T. R. Klinckman Jr., T. R. Cundari 3:55—203. Computational investigation of a series of tetrathio-rhodium(lll) complexes. A. R. Lawrence, P. L. M. Plummer 4:15—204. Analysis of strain in main-group cages. C. W. Earley

Section Β

DIVISION OF ENVIRONMENTAL CHEMISTRY A. M. Ford, Program Chair R. Hathaway, Program Secretary

OTHER SYMPOSIA OF INTEREST: Bridging the Gap Between Environmental Fate Laboratory and Field Dissipation Studies In the Registration Process (see Division of Agrochemicals, Sun, Mon, page 66) In Vitro Methods In Metabolism and Environmental Fate Studies {see Division ot Agrochemicais, Thu, page 69) Postregistratlon Surface and Groundwater Monitoring Studies: An Acetochlor Case Study (see Division of Agrochemicals, Tue, Wed, page 67)


Emerging Technologies: Waste Management in the 21st Century

• Protein-Protein Interactions

(see Division of Industrial £ Engineering Chemistry, Thu, page 97)

M. D. Ryan, Presiding 1:30—205. Sensitive potential for proteinprotein docking. R. Abagyan, M. Totrov, J. Fernandez-Recio 2:20—206. Predicting macromolecular inter actions by a complete, systematic search. V. A. Roberts, M. E. Pique, J. Mandell, L. F. Ten Eyck 2:50—207. Orientational electrostatic steer ing in protein-protein association. R. R. Gabdoulline, R. C. Wade 3:20—208. Thermodynamic and kinetic role of desolvation in protein-protein associa tion. S. Vajda, C. J. Camacho, C. DeLisi 3:50—Intermission. 4:00—209. Designing inhibitors of proteinprotein interactions based on protein structure-function data. D. R. Artis 4:30—210. CD8 protein's surface used as a design template for the engineering of bioactive analogs. B. A. Jameson, A. P. Tretiakova 5:00—211. Protein-protein interactions in the TNF system. K. Ramnarayan

Section C Convention Center Room 219 General

M. D. Ryan, Organizer 1:30—212. Impact of computing on organic chemistry and synthesis. W. T. Wipke 2:00—213. Stereochemistry of nonactin: A computational analysis. J. M. Goodman, R. Hoyer, A. Burzlaff, R. Omar 2:20—Intermission. 2:30—214. Estimation of chemical reduction potentials. S. H. Hilal, S. W. Karickhoff, L. A. Carreira 3:00—215. Mesoscopic simulation of glass transition for miscible polymer blends. K. R. Sharma 3:20—216. Entropie difference model during glass transition for partially miscible blends with styrenic systems. K. R. Sharma

Green Chemistry: Environmentally Benign Syntheses (see Division of industrial & Engineering Chemistry, Tue, page 96) Environmental Aspects of Inorganic and Organometalltc Chemistry (see Division of Inorganic Chemistry, Mon, Tue, page 100) SOCIAL EVENTS: Social Hour and Dinner, Tue Social Hour» Wed BUSINESS MEETING: Mon

SUNDAY MORNING Section A Convention Center Room 208 A Perchlorate in the Environment Introduction and Risk Exposure for Perchlorate E. T. Urbansky, M. R. Schock, Organizers Ε. Τ. Urbansky,

Presiding

8:50—Introductory Remarks. 9:00—1. Perchloric acid and perchlorates: Realizing the benefits. J. R. Long 9:30—2. Interagency perchlorate steering committee: Real progress through active partnering. D. E. Rogers 10:00—3. Long-term release as a source of perchlorate contamination. T. G. Flowers, J. R. Hunt 10:30—4. Adsorption characteristics of per chlorate in soils. S. Susarla, G. Wood, S. Lewis, N. L. Wolfe, S. C. McCutcheon 11:00—5. Risk assessment of perchlorate in biota, soil, and groundwater at agricultural site in Southern California. H. Robles

Section Β Convention Center Room 209 • Analytical Challenges for Assessing Environmental Exposures to Children

L. L. Needham, Organizer, Presiding The Committee on Meetings & Expositions requests that there be no smoking in meeting rooms or committee meetings

8 8 JULY 26, 1999 C&EN

8:30—Introductory Remarks. 8:35—6. Legislating children's health: Can and should science meet the challenge? B. A. Shurdut

9:05—7. Measuring children's exposure to hazardous environmental mixtures: Two case studies illustrating complexities and challenges. K. Sexton, E. D. Pellizzari, J. J. Quackenboss, P. J. Lioy, P. Shubat, J. L. Adgate, R. W. Whitmore, T. R. Church, C. Stroebel, G. Ramachandran, A. Clay ton, A. Fredrickson, M. Roberts, I. A. Greaves, N. Freeman 9:35—8. Three interacting factors associated with children's dietary exposures: Environ mental concentrations, food contamina tion, and children's behaviors. G. Akland, E. D. Pellizzari, Y. Hu, M. Roberds, M. R. Berry, J. Leckie 10:05—Intermission. 10:30—9. Young children and first morning voids. M. K. O'Rourke, P. S. Lizardi, S. P. Rogan, A. Aguirre, C. G. Saint 11:00—10. Q&A for sample collection in chil dren, or, How do I get a quality sample when my sample won't hold still? B. Buck ley, A. Ettinger, K. Reed, P. Hore, P. Lioy, N. Freeman 11:30—11. Analytical methods for water dis infection by-products in foods and bever ages. J. H. Raymer, E. D. Pellizzari, J. A. Shoemaker Forensic Science cosponsored with Society Committee on Education (see page 62) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 109)

SUNDAY AFTERNOON

Section Β Convention Center Room 209 • Analytical Challenges for Assessing Environmental Exposures to Children L. L. Needham,

Presiding

1:30—17. Persistent environmental expo sures in children. M. S. Wolff 2:00—18. Human exposure to water disin fection by-products via foods and beverag es. J. H. Raymer, E. D. Pellizzari, J. A. Shoemaker 2:30—19. Measuring developmental out comes of lead in an urban neighborhood: The challenges of community-based re search. C. M. Jordan, P. Lee, E. Shapiro 3:00—Intermission. 3:30—20. Characterization of children's ex posure to organophosphorus pesticides in rural and urban communities. A. Lu, R. A. Fenske, J. A. Touchstone, T. Moat, G. Kedan, D. Knutson 4:00—21. Challenges associated with moni toring residues of insecticides used as flea control remedies on pet dogs. J. E. Cham bers, J. S. Boone, J. Tyler 4:30—22. Assessing environmental exposure in children: Immunotoxicology screening. T. M. Phillips À First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 110)

Section A

A Perchlorate in the Environment Introduction and Risk Exposure for Perchlorate


MONDAY MORNING

Ε. Τ. Urbansky, Presiding

Section A

1:30—12. Perchlorate accumulation from fer tilizer in leafy vegetation. S. L. Lewis, S. Susarla, N. L. Wolfe, S. C. McCutcheon 2:00—13. Perchlorate uptake in lettuce seedlings. S. Susarla, N. L. Wolfe, S. C. McCutcheon 2:3fJ—Intermission. Discussion.

M. R. Schock, Presiding 3:00—14. ESI-MS perchlorate analysis en hanced by organic modifiers. Ε. Τ. Urbansky, M. L. Magnuson 3:30—15. Analysis of trace-level perchlorate in drinking water and ground water by electrospray mass spectrometry. D. T. Tsui, R. A. Clewell 4:00—16. Recent developments in the anal ysis of perchlorate using ion chromatogra phy. P. E. Jackson, S. Gokhale, J. S. Rohrer 4:30—Discussion.

Convention Center Room 208 A Perchlorate in the Environment Treatment and Remediation through Anion Exchange or Chemical Reduction

Section Β

A Analytical Challenges for Assessing Environmental Exposures to Children

L. L. Needham, Organizer, Presiding

; •

A H

AGRICULTURAL CHEMISTRY CATALYSIS CHEMISTRY & COMPUTERS ENVIRONMENTAL ISSUES MATERIALS

•

PETROCHEMICALS

•



j

8:30—Introductory Remarks. 8:35—28. Need for analytical data in assess ing children's health. R. Jackson 9:05—29. Children's exposure research strategy in support of FQPA. L. S. Shel don, E. A. Hubal Cohen, M. R. Berry 9:35—30. Historical reconstruction of child hood exposure to persistent bioaccumulative pesticides and other toxics. R. H. Allen 10:05—Intermission. 10:30—31. Innovative technology for bloodlead measurement. D. T. Miller 11:00—32. Data requirements for assessing children's exposure to pesticides. E. A. Cohen Hubal, L. S. Sheldon



A. M. Ford, Organizer, Presiding 8:00-10:30 93-95, 97, 102-104, 109, 112, 116. See subsequent listings.

Convention Center Room 208 A Perchlorate in the Environment Treatment and Remediation through Anion Exchange or Chemical Reduction

M. R. Schock, Presiding 1:30—34. Efficient separation of perchlorate from contaminated groundwater by afunc tional anion exchange resins. B. Gu, G. M. Brown, S. D. Alexandratos, R. Ober, S. Plant 2:00—35. Rapid reduction of perchlorate ion by titanous ions in ethanolic solutions. J. E. Earley Sr., D. C. Tofan, G. Amadei 2:30—36. Investigation of perchlorate remov al in drinking water sources by chemical methods. M. D. Gurol, K. Kim 3:00—Intermission. Discussion.

J. J. Clark, Presiding 3:30—37. Influences on phytoremediation of perchlorate-contaminated water. V. A. Nzengung, C. Wang 4:00—38. Predicting field performance of herbacous species for phytoremediation of perchlorate. S. Susarla, S. Bacchus, L. Wolfe, G. Harvey, S. McCutcheon 4:30—39. Reductive transformation of per chlorate in a fresh-water sediment: Labora tory batch studies. R. Simon, E. J. Weber 5:00—40. Rapid bioremediation of perchlor ate in soil and groundwater. E. E. Cox, J. Allan, S. L. Neville 5:30—Division Business Meeting.

Section Β

9:00—23. Modeling the formation of ion pairs in ion-exchange resins and effects on perchlorate treatment chemistry. G. A. Guter 9:30—24. Treatability of perchlorate in groundwater using ion-exchange technology. A. R. Tripp, D. A. Clifford 10:00—25. Removal and destruction of perchlorate and other anions from groundwater using ISEP+ system. K. R. Venkatesh, S. M. Klara, D. L. Jennings, N. J. Wagner 10:30—26. Design of selective resins for the removal of pertechnetate and perchlorate from groundwater. G. M. Brown, P. V. Bonnesen, B. A. Moyer, B. Gu, S. D. Alexandratos, V. Patel 11:00—27. Removal of perchlorate from waters using ion-exchange resins. A. L. Barkovskii, F. X. McGarvey, A. R. Vierira


I •


M. R. Schock, Presiding

Analysis of Water for Perchlorate

*

Green Chemistry cosponsored with Society Committee on Education (see page 62)

Biological Remediation and Risk Management for Perchlorate

SUNDAY EVENING


11:30—33. Dietary exposure of children to lead. L. J. Melnyk, M. R. Berry, L. S. Shel don, N. C. Freeman, E. Pellizzari

Convention Center Room 209 A Analytical Challenges for Assessing Environmental Exposures to Children

L. L. Needham, Presiding 1:30—41. Addressing children's health con cerns: An update on implementation of the Food Quality Protection Act of 1996. P. Deschamp 2:00—42. Environmental chemicals and brain development in young children: Lead, PCBs, PCDFs, and other adven tures in subtle outcomes and low-level ex posures. W. J. Rogan 2:30—43. Hazards to young children from residential pesticide exposures. M. F. Spann, J. Blondell, K. Hunting 3:00—Intermission. 3:30—44. Transfer of pesticides from surfaces to foods for the estimation of dietary expo sure of children. C. Adcox, M. R. Berry, G. Akland, M. Roberds, E. D. Pellizzari 4:00—45. Measuring dietary exposure of young children. M. R. Berry, C. Adcox, L. J. Melnyk, G. G. Akland, Y. A. Hu, A. C. Clayton, E. D. Aragon, J. M. Roberds, E. D. Pellizzari 4:30—46. Biological monitoring of pesticide exposure in children. A. L. Barkovskii, S. E. Baker, W. J. Driskell, M. D. Beeson, L. L. Brookes, I. R. Harmon, R. D. White head, L. L. Needham

TUESDAY MORNING Section A Convention Center Room 208 A Perchlorate in the Environment Microbial Remediation and Risk Management for Perchlorate

J. J. Clark, Presiding 9:00—47. Environmental microbiology of (per)chlorate-reducing bacteria. J. D. Coates, U. Michaelidou, R. A. Bruce, L. A. Achenbach, J. Patrick, S. M. O'Connor 9:30—48. Treatment of groundwater contain ing perchlorate using biological fluidized bed reactors with GAC or sand media. M. Greene, M. P. Pitre 10:00—49. Biochemical removal of perchlor ate from San Gabriel groundwater and po table use of the treated water. J. G. Catts 10:30—50. Isolation and characterization of two novel (per)chlorate-reducing bacteria from swine waste lagoons. U. Michaelid ou, J. D. Coates, L. A. Achenbach

Section Β Convention Center Room 209 A Analytical Challenges for Assessing Environmental Exposures to Children

L. L. Needham, Presiding 8:30—Introductory Remarks. 8:35—51. Measurement of trihalomethanes in human blood in the parts-per-quadrillion range and its application to assessing ac tivities and routes of exposure. D. L. Ash ley, L. C. Backer, M. A. Bonin, F. L. Car dinal!, J. V. Wooten 9:05—52. Utilization of umbilical cords to as sess in utero exposure to persistent pesti cides and polychlorinated biphenyls. V. W. Burse, A. R. Najam, C. C. Williams, L L. Needham 9:35—53. Dried-blood spots: A unique sam ple matrix for the measurement of environ mental toxicants in newborns representing in utero and maternal exposures. W. H. Hannon, V. W. Burse 10:05—Intermission. 10:30—54. Measurements for assessing en vironmental exposure to children using small amounts of serum and urine: State of the art. D. G. Patterson Jr., J-M. D. Dimandja, W. E. Turner, J. Grainger, L L. Needham 11:00—55. Quantitative analysis of eight dialkyl phthalate metabolites in human urine using LC-APCI-MS/MS. J. Blondell, Κ. Ε. Milgram, J. Brock, L. L. Needham 11:30—56. Assessing the health of the na tion's children: Environmental toxicants measured in the National Health & Nutri tion Examination Survey (1999+). E. W. Gunter A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 111)


JULY 26, 1999 C&EN 8 9

ENVR/FERT/FLUO/TECHNICAL PROGRAM

TUESDAY AFTERNOON

Section Β Section A


Convention Center Room 209 Chiral Chemistry in the Environment

A Perchlorate in the Environment Microbial Remediation and Risk Management for Perchlorate

M. D. Mueller, Organizer R. Falconer, Presiding


8:30—Introductory Remarks. 8:35—72. Overview of chiral chemistry in the environment. A. W. Garrison 9:05—73. Ibuprofen and MCPP-enantiomers degrade differently in the aquatic environ ment. M. D. Mueller, H-R. Buser, T. Poiger 9:35—74. Enantiomeric ratios as source tracers of chlordane in ambient air. R. L. Falconer, A. D. Leone, J. Blondell, E. Ul rich, R. A. Hites, K. Wiberg, T. F. Bidleman, L. M. Jantunen, T. J. Harner 10:05—Intermission. 10:30—75. Analytical and preparative chiral HPLC of chiral pesticides. W. L. Champi on Jr., K. B. Prickett, J. Lee 11:00—76. Selective in vitro hormone activi ty of ο,ρ'-DDT and ο,ρ'-methoxychlor opti cal isomers. T. E. Wiese, A. W. Garrison, S. Nehls, T. C. Bishop 11:30—77. Metabolism of chiral pesticides in soil and aquatic environments. T. F. Bidleman, J. J. Ridal, R. L. Falconer, T. Harn er, A. D. Leone, L. M. M. Jantunen

Environmental Chemistry Awards Cosponsored with Younger Chemists Committee

Hydrogen Production, Storage, and Utilization cosponsored with Division of Fuel Chemistry (see page 93)

T. Anderson, Organizer, Presiding


Ε. Τ. Urbansky, Presiding 1:00—57. Autotrophic system for the removal of perchlorate from groundwater. T. L. Giblin, D. Herman, W. T. Frankenberger Jr. 1:30—58. Factors affecting biodégradation of perchlorate-contaminated waters. Β. Ε. Logan, K. Kim, P. Mulvaney, J. Miller, J. Wu, H. Zhang, R. Unz Regulatory Issues and Parting Thoughts

Ε. Τ. Urbansky, Presiding 2:00—59. Regulating perchlorate in drinking water. F. W. Pontius, P. Damian, A. D. Eaton 2:30—Summary and review. J. J. Clark 2:55—Concluding Remarks. Ε. Τ. Urbansky

Section Β

1:20—Introductory Remarks. 1:30—60. Genesis of selectivity and revers ibility for sorption of synthetic aromatic an ions onto polymeric sorbents. P. Li, A. K. SenGupta 2:00—61. Simulated diagenesis of sediment organic matter and its impact on sorption/ desorption equilibria. M. D. Johnson, W. Huang, W. J. Weber Jr. 2:30—62. X-ray absorption spectroscopic in vestigation of aqueous Co(ll) sorption at clay-water interfaces. C-C. Chen, K. F. Hayes 3:00—Intermission. 3:30—63. Reaction pathways involved in the reduction of monochloramine by ferrous iron. P. Vikesland, R. L. Valentine 4:00—64. Pathways and kinetics of chlorinat ed ethylene and chlorinated acetylene re action with Fe(0). W. A. Arnold, A. L. Roberts • First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

WEDNESDAY MORNING Section A Convention Center Room 208 Environmental Issues on the Gulf Coast

D. D. Reible, Organizer, Presiding 8:30—Introductory Remarks. 8:35—65. Characterization of exploration and production wastes in Louisiana. D. D. Reible, Κ. Τ. Valsaraj 9:00—66. Air emissions from oilfield waste landfarm facilities. J. H. Pardue, K. T. Val saraj, W. S. Shin 9:25—67. Atmospheric dispersion character istics related to ozone along the Gulf Coast. S. A. Hsu 9:50—Intermission. 10:15—68. Time series analysis of lower Mississippi River nutrient data. L. J. Stein berg, K. Wantanabe, J. E. Bollinger, W. J. George 10:40—69. Historical and contemporary oc currence and distribution of volatile organ ic compounds (VOCs) in the lower Missis sippi River. J. E. Bollinger, J. M. Mendier, C. M. Swalm, W. J. George 11:05—70. Application of a two-column, ionexchange method for trace-metal speciation study in Texas rivers. K-T. Jiann, B. J. Presley 11:30—71. Study of the effectiveness of en vironmental dredging: Bayou Bonfouca, La. L. Thibodeaux, K. Duckworth, D. Reible, Κ. Τ. Valsaraj 11:55—Concluding Remarks. D.D. Reible

9 0 JULY 26, 1999 C&EN

WEDNESDAY AFTERNOON Section A Convention Center Room 208 Environmental Issues on the Gulf Coast Bioavailability of Organic Contaminants

D. D. Reible, Presiding 1:30—Introductory Remarks. 1:35—78. Biological response and availabili ty of desorption-resistant organic pollut ants. M. Tomson, A. Kan, W. Chen, J. Hughes, D. Reible 2:00—79. Protocol for assessment of biolog ically available pollutant concentration in soil. A. T. Kan, M. Tomson, W. Chen, J. Hughes, D. Reible 2:25—80. Bioavailability of desorption-re sistant phenanthrene by freshwater oligochaetes. D. D. Reible, J. W. Fleeger, M. Tomson, A. Kochetkov, L. Zhang 2:50—Intermission. 3:15—81. Bioavailability of desorption-re sistant phenanthrene in wetland plant sys tems. J. Pardue, M. Ford, C. Gomez, W. S. Shin 3:40—82. Fenton degradation of hydropho bic organic compounds: Inhibition by dis solved organic matter. M. A. Tarr, M. E. Lindsey 4:05—83. Air emissions from exposed, con taminated sediments and dredged materi als. K. T. Valsaraj, R. Ravikrishna, B. Choy, D. Reible, L. J. Thibodeaux, C. Price, S. Yost, J. Brannon, T. Myers 4:30—84. Synchrotron X-ray microtomography of waste-solid samples. L. G. Butler 4:55—Concluding Remarks. D.D. Reible

Section Β Convention Center Room 209 Chiral Chemistry in the Environment

M. D. Mueller, Presiding 1:30—85. Oktakis(2,3,6-tri-0-ethyl)-g-cyclodextrin, an alternative for the reproducible enantioselective separation of polychlorinated compounds. S. M. O'Connor, A. Jaus 2:00—86. Enantiomeric occurrence and dis tribution of chiral organochlorine com pounds in U.S. river sediment and biota. C. S. Wong, A. W. Garrison, W. T. Fore man, P. D. Capel, L. H. Nowell

2:30—87. Stereospecific detection of syn thetic musks in environmental samples. P. Schmid, M. D. Mueller 3:00—Intermission. 3:25—88. Chiral patterns of soil-aged pesti cides (technical chlordane, BHC, and DDT). C. P. Rice, U. Klingebiel, D. Poster 3:55—89. Chromatographic separation of atropisomeric environmental pollutants. P. Haglund, M. Harju 4:25—90. Identification of chiral tracers of toxaphene: Application to air, lake water, and water from the tributaries of Lake Su perior. H. Karlsson, C. Texiera, W. M. J. Strachan, D. Burniston, S. Backus, D. C. G. Muir 4:55—Concluding Remarks. A.W. Garrison Hydrogen Production, Storage, and Utilization cosponsored with Division of Fuel Chemistry (see page 93) • First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

WEDNESDAY EVENING Section A Convention Center Exhibit Hall A Poster Session 5:00-7:00 General

A. M. Ford, Organizer, Presiding 91. Decomposition of gas-phase trichloroethene by the UV/Ti0 2 and UV/0 3 pro cesses. Y-S. Shen, K. Yu 92. High Tg material for high-efficiency partic ulate filter. K. R. Sharma 93. Utilization of snapping turtle eggs as biomonitors of environmental contamination. J. J. Pagano, R. N. Roberts, P. A. Rosenbaum, G. M. Sumner, L. A. Williamson 94. Use of pentacyclic triterpanes as biomarkers for source identification of oil pollution in the Straits of Malacca. M. P. Zakaria, H. Takada, A. Horinouchi, S. Tanabe, A. Ismail 95. Fluorescent whitening agents (FWAs) in Tokyo Bay: Their applications as anthro pogenic molecular markers in coastal en vironments. H. Takada, Y. Hayashi 96. Solid-phase extraction of endocrine disruptors from water and soil: A simple pro cedure for LC and GC. M. S. Young 97. Simplified method for trace analysis of trifluoroacetic acid in plant, soil, and water samples using headspace gas chromatog raphy. T. M. Cahill, J. N. Seiber, M. S. Gustin, J. A. Benesch, E. J. Zimmerman 98. Bioavailability of 2,4-dichlorophenoxyacetic acid in silica-slurry systems. J-H. Park, D. Kay, X. Zhao, S. A. Boyd, T. C. Voice 99. Copper sorption by chemically modified controlled pore glass. B. J. Rappoli, D. A. Rowley 100. Effect of surface tension on the mass transfer of ozone in aqueous solution. Y. Ku, C-C. Hung, W. Wang 101. Nuclear magnetic resonance study and molecular modeling of Metolachlor confor mations in solution. S. Jayasundera, W. F. Schmidt, C. J. Hapeman, A. Torrents 102. Fluorescent whitening agents as facile anthropogenic pollution indicators in estuarine and surface waters. E. A. Cioffi, G. L. Goblick 103. Synthesis of cements from rice hull ash. F. A. Rodrigues 104. Solid-state deuterium MAS NMR stud ies of TNT/soil adsorption. E. F. Emery, L. G. Butler, T. Junk, R. Ferrel 105. Tight metal binding by peat- and soilderived solid humic acids. G. Davies, E. A. Ghabbour, N. K. Ghali, M. D. Mulligan 106. Supported capillary membrane sampler/ gas chromatographic method for monitoring trihalomethanes in drinking water. C. N. Duty, G. L. Emmert, W. Wolcott, D. Olson


107. Comparison of colorimetric methods for measuring chlorine dioxide concentrations in drinking water. S. D. Puckett, H. Zhang, G. L. Emmert 108. Chemical class separation of asphalt fume using a silica solid-phase extraction column. M. Ho, L. D. Olsen 109. Study of three variables involved in the electrokinetic remediation of lead-contam inated soil: Flow rate and concentration of conditioning fluid and voltage. C. L. Geiger, C. A. Clausen III, V. Prasad, L. Pettey, S. M. O'Connor, J. Quinn 110. Formation and stability of uranyl(VI) hydroxo-halido complexes in aqueous sys tems. Y. Xu, C. D. Tait, W. H. Runde 111. Chemical samples preservation and ex change. S-K. Lin 112. Lead accumulation by three aquatic plants. M. T. Gallardo, R. F. Benson, D. F. Martin 113. Inhibition of human natural killer (NK) cell function in vitro by phenyltin com pounds. M. M. Whalen, S. Hariharan, B. G. Loganathan 114. EPR detection and properties of natural ly occurring free radicals in Mediterranean tobacco blends. M. M. Khaled 115. Kinetics and mechanism of UV light/ H202-induced degradation of benzene in aqueous waste samples. K. O. Zahir, M. Libardoni Chiral Chemistry in the Environment

W. Garrison, Presiding 116. DDT residues and enantiomers of ο,ρ'DDT in soils. K. Wiberg, T. Harner, B. Ngabe, T. F. Bidleman, A. D. Leone, R. L. Falconer

THURSDAY MORNING Section A Convention Center Room 208 Waste: Remediation and Related Issues

A. M. Ford, Organizer, Presiding 8:30—Introductory Remarks. 8:35—117. Cosolvent flushing for source area remediation. R. C. Cowdery, K. M. Warner 8:55—118. Release and dispersability of col loids in two contaminated soils. Y. Dong, L. Q. Ma 9:15—119. Chemical characterization of a mer cury-selenium detoxification compound. J. Gailer, S. Madden, M. B. Denton, H. V. Aposhian 120. Withdrawn. 9:55—121. NOx-mediated oxidation of toxic chlorinated organics utilizing dioxygen as the oxidant. A. Sen, C. N. Elia, H. Fries IV 10:15—Intermission. 10:30—122. Colloid-facilitated metal mobility in a Pb-contaminated soil. Y. Dong, L. Q. Ma 10:50—123. Contribution of biodégradation to VOC removal in an air sparge/SVE remedial system. B. J. Witmeier, D. W. Butler 11:10—124. Determination of picric acid in Hanford nuclear waste by paired-ion chromatography. S. G. Metcalf, A. A. Okemgbo 11:30—125. Evaluation of solid-phase extraction and metal interferences in HPLC analysis of Hanford nuclear waste for picric acid. A. A. Okemgbo, S. G. Metcalf

Section Β Convention Center Room 209 • Computer Software for Environmental Chemistry Education Cosponsored with Division of Chemical Education and Division of Computers in Chemistry

F. Dunnivant, M. E. Newman, Organizers M. E. Newman, Presiding 8:30—Introductory Remarks. F. M. Dunnivant 8:35—126. Use of equilibrium speciation mod els as a teaching tool. A. W. Elzerman 9:00—127. Contaminant-fate models for un dergraduate and graduate education in environmental chemistry. M. MacLeod, D. Mackay, E. Webster 9:25—128. Classroom use of the EPA's ex posure analysis modeling system. C. M. Lee

9:50—129. Tools for teaching chemistry and research: The toolkit for estimating physicochemical properties of organic compounds. M. Reinhard, A. Drefahl, P. Baricic, M. Mackov 10:15—Intermission. 10:25—130. EnviroLand: An interactive computer tool for teaching environmental chemistry and hydrology. F. M. Dunnavant, M. Newman, D. Danowski, F. Frye, T. Spano, A. Timmens-Haroldson 10:50—131. Free software for estimating numbers of samples needed for data quality objectives. L. H. Keith 11:15—132. Soleq: CD-ROM-based tutorials for equilibria in solution. R. M. Town, K. J. Powell, L. D. Pettit 11:40—133. Modeling as a tool to bridge the gap between chemistry and macroscopic environmental processes. M. Filella Hydrogen Production, Storage, and Utilization cosponsored with Division of Fuel Chemistry (see page 93) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

THURSDAY AFTERNOON Convention Center Room 208 Waste: Remediation and Related Issues

A. M. Ford, Presiding 1:30—Introductory Remarks. 134. Withdrawn. 1:55—135. New decolorable printing ink to support effective paper recycling. S. Machida, S. Takayama, N. Ikeda, T. I. Urano, K. Sano 2:15—136. Remote sensing of fugitive emissions in the burning of a napalm mixture with a hyperspectral infrared imaging spectrometer. G. M. Lane 2:35—137. Isolation of humic acids from the water hyacinth, Eichhornia crassipes. E. A. Ghabbour, G. Davies, Y-Y. Lam, J. Mao, B. Xing 2:55—138. Rapid method for the determination of trace levels of nonylphenol in fish tissue using solid-phase extraction and HPLC fluorescence detection. S. Datta, J. E. Loyo-Rosales, C. P. Rice 3:15—Intermission. 3:30—139. Novel pseudostationary phases in micellar electrokinetic chromatography for separation of polynuclear aromatic hydrocarbons. C. Akbay, I. M. Warner 3:50—140. Organic reactions in supercritical fluids: Continuous, selective, and green. W. K. Gray, F. R. Smail, N. J. Meehan, S. K. Ross, M. Poliakoff Hydrogen Production, Storage, and Utilization cosponsored with Division of Fuel Chemistry (see page 93) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 113)

FERT

TUESDAY AFTERNOON

MONDAY MORNING


Advances in Polymer Formation by Metallocene, Ziegler-Natta, and Related Chemistries cosponsored with Division of Inorganic Chemistry (see page 100)

General Papers

D. P. Day, Organizer, Presiding

DIVISION OF FERTILIZER & SOIL CHEMISTRY G. L. Smith, Program Chair MONDAY MORNING Convention Center Room 203 * New Developments in Precision Agriculture

C. S. Snyder, Organizer, Presiding 8:30—Introductory Remarks. 8:40—1. Precision agriculture technologies: Applications and opportunities. J. L. Havlin, D. A. Crouse 9:35—2. Geographical information system for spatially managing plant nutrients. D. A. Crouse, J. L. Havlin 10:30—Intermission. 10:40—3. Site-specific management of plant nutrients in the southeastern U.S. C. Kvien, S. Pocknee 11:35—4. Application of precision agriculture technologies in the midsouth. W. H. Baker, S. D. Carroll

MONDAY AFTERNOON Convention Center Room 203 * New Developments in Precision Agriculture

C. S. Snyder, Presiding 1:30—Introductory Remarks. 1:40—5. Site-specific application of fertilizer on a central Louisiana Red River alluvial soil. S. H. Moore, A. I. Bechtel, R. G. Downer, M. C. Wolcott, M. L. Tarpley 2:35—6. Soil chemical and physical properties affects on soybean production in Mississippi. M. S. Cox, M. W. Wardlaw 3:30—Intermission. 3:40—7. Precision farming research for enhanced agricultural sustainability. D. D. Tyler, J. B. Wilkerson, W. E. Hart, H. P. Denton, D. D. Howard, R. K. Roberts, B. C. English, M. E. Essington, H. J. Savoy, R. S. Freeland 4:35—8. Quantifying soil and landscape variability for precision crop management. N. R. Kitchen, K. A. Sudduth, S. T. Drummond

1:30—Introductory Remarks. 1:40—15. Use of KTS (potassium thiosulfate) in starter fertilizer programs. J. G. Clapp 2:10—16. Investigation of Y-fertilizer action on corn productivity. B. Kopyleva 2:40—17. Closing the nitrogen and sulfur gaps in the new millennium. D. J. Collamer, M. M. Gearhart, K. D. Kunz, A. P. Cruz, E. S. Spolidorio 3:10—Intermission. 3:20—18. Field and laboratory estimates of ammonia emission from cattle production facilities. T. A. James, D. Meyer, L. L. Ashbaugh, N. R. Freitas 3:50—19. Warning on the interpretation of Mossbauer spectra in volcanic soils mineralogical studies. C. Pizarro, N. R. Furet, R. Venegas, J. D. Fabris, M. Escudey

WEDNESDAY MORNING Convention Center Room 203 * Specialty Fertilizers

G. L. Smith, Organizer, Presiding 8:30—Introductory Remarks. 8:40—20. Manufacturing methods of sulfurbentonite products. R. H. Czurak 9:10—21. Tiger 90(CR): New controlled release source of plant nutrient sulfate. J. B. Hyne, M. Iliffe, E. J. Laishley, R. Bryant 9:40—22. Phosphogypsum uses in agriculture and its impact on the environment: A 10-year study. J. E. Rechcigl 10:10—Intermission. 10:20—23. Granulation at a point. R. E. Highsmith 10:50—24. New methodology for slowrelease fertilizers. W. L. Hall 11:20—25. Survey of modern plant health technologies. W. E. Fair

FLUO DIVISION OF FLUORINE CHEMISTRY S. H. Strauss, Program Chair

iiiiiiiYiili

D. P. Day, Organizer, Presiding

*

• •


A

ENVIRONMENTAL ISSUES M MATERIALS

•

PETROCHEMICALS

•


Sci-Mix S. H. Strauss, Organizer, Presiding 8:00-10:30 4. Novel fluoroalkylating agent: Blocked isocyanate oligomers end-capped with fluoroalkyls. T. Kawase, K. Ikeno, H. Sawada 5. Synthesis of a novel fluoroalkylated endcapped oligomer-bound antitumor segments and interaction of this oligomer with DNA. H. Sawada, K. Ikeno, M. Oue, T. Kawase 6. Synthesis of alkyl perfluoroalkyl ethers by fluorination of fluoroalkenyl ethers. M. Tamura, S. Takubo, H-D. Quan, A. Sekiya 7. Synthesis and properties of polyfluorinecontaining thermosetting resin. M. Ota, T. Horiguchi, M. Shibasaki

TUESDAY MORNING Advances in Polymer Synthesis by Metallocene, Ziegler-Natta, and Related Catalysts cosponsored with Division of Inorganic Chemistry (see page 101)

TUESDAY AFTERNOON Advances in Polymer Synthesis by Metallocene, Ziegler-Natta, and Related Catalysts cosponsored with Division of Inorganic Chemistry (see page 101)



8:30—Introductory Remarks. 8:40—9. Phosphate minerals processing: Reminiscence on two decades' FIPR research. P. Zhang 9:10—10. Large phosphoric acid plants of the future. D. Leyshon 9:40—11. Production of high-quality phosphoric acid from raw Tennessee phosphate ore. J. C. Barber 10:10—Intermission. 10:20—12. Magnetic treatment of the solid carbonates, sulfates, and phosphates of calcium. R. F. Benson, R. Lubosco, D. F. Martin 10:50—13. Developments in the urea/ superphosphate process. D. J. Higgins, A. C. Braithwaite 11:20—14. Addressing the global nitrogen problem. D. F. Galloway

MONDAY EVENING Convention Center Exhibit Hall A Ballroom B/C

WEDNESDAY MORNING

TUESDAY MORNING

New Developments in Fertilizer Manufacture

MONDAY AFTERNOON Advances in Polymer Synthesis by Metallocene, Ziegler-Natta, and Related Catalysts cosponsored with Division of Inorganic Chemistry (see page 100)

SUNDAY AFTERNOON Convention Center Rooms 212-213 Tutorial: How to Synthesize Highly Fluoronated Superweak Anions

S. Strauss, Presiding 2:00—1. Fluorocarboranes and fluoroalkoxyborates and -fluminates. S. H. Strauss 3:00—2. Bis((perfluoroalkyl)sulfonyl)imides and methanes, and tris((perfluoroalkyl)sulfonyl)methanes. D. D. DesMarteau 4:00—3. Polyfluorinated tetraarylborates and related anions. T. Sonoda

General Papers

D. J. Adams, Presiding 9:00—8. Nucleophilic trifluoromethylation of nitrones. D. W. Nelson 9:20—9. Nucleophilic routes to trifluoromethylated and trifluoromethylthiolated aromatics. D. J. Adams 9:40—10. Synthesis of macrocylic ligands with partially fluorinated side arms and étudies of their metal-ion complexation behavior. S. Elshani, R. A. Bartsch, E. Kobzar 10:00—11. Recognition of hydrophilic amino and Λ/,/V-dimethylamino compounds by the self-assembled aggregates of fluoroal kylated end-capped A/-(1,1-dimethyl-3oxobutyl)acrylamide oligomer. H. Sawada, M. Kurachi, Y. Yoshino, M. Oue, T. Ka wase 10:20—12. Fluorination, defluorination, and derivatization of graphite, fullerenes, and carbon nanotubes. J. L. Margrave, Ε. Τ. Mickelson 10:40—13. Solvation of fluorinated singlewall carbon nanotubes in alcohol solvents. J. L. Margrave, E. T. Mickelson, I. W. Chiang, R. E. Smalley, R. H. Hauge, J. L. Zimmerman, P. J. Boul, J. Lozano, J. Liu 11:00—14. Synthesis of fluoride gases from the oxidation of uranium tetrafluoride using solid oxide compounds. J. B. Bulko, B. M. Smyser, T. M. Caldwell


JULY 26, 1999 C&EN 9 1

FUEL/TECHNICAL PROGRAM


FUEL

Convention Center Room 204 • Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion Cosponsored with Division of Physical Chemistry

DIVISION OF FUEL CHEMISTRY

J. A. Franz, Presiding

K. A. Carrado, General Chair J. A. Franz, Program Chair

SOCIAL EVENT: FUEL/PETR Dinner, Tue BUSINESS MEETING: Tue

SUNDAY MORNING Section A Convention Center Room 204 • Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion Cosponsored with Division of Physical Chemistry

J. A. Franz, M. T. Klein, Organizers J. A. Franz, Presiding 8:30—1. Thermal stability of organic radicals. W. Tsang 9:15—2. Climbing Mount Psi: The level of theory needed to obtain 1 kcal/mol accura cy in thermochemical properties. D. F. Feller 10:00—Intermission. 10:10—3. Reverse radical disproportionation: A mechanistic study. C. Ruchardt 10:55—4. Hydrogen atom abstraction by transition-metal complexes. J. M. Mayer, J. P. Roth, M. A. Lockwood, K. Wang 11:40—5. Thermodynamic and kinetic stud ies of metal/sulfur/hydrogen systems. C. D. Hoff, Κ. Β. Capps, A. Bauer

Section Β Convention Center Room 205 M Molecular and Network Structures of Coal

M. lino, R. E. Winans, Organizers M. lino, Presiding 8:30—6. Structural determination of Pennsylvanian anthracites. P. J. Pappano, J. P. Mathews, H. H. Schobert 8:50—7. Verification of the Aida chemical de termination method for oxygen functional ity in coal and coal products. T. Aida, A. Nishisu, I. Yamanishi 9:10—8. Time-resolved small-angle X-ray scattering reactivity studies on coals, asphaltenes, and polymers. R. E. Winans, S. Seifert, P. Thiyagarajan 9:30—Intermission. 9:40—9. Use of intra- and intermolecular models to simulate the wide-angle X-ray scattering of coals. D. L. Wertz 10:00—10. Structural parameters from 002 lattice fringe images of coals and coal chars using HRTEM. A. Sharma, T. Kyotani, A. Tomita 10:20—11. Microheterogeneity of solventswollen coal probed by proton spin diffu sion. K. Norinaga, J-l. Hayashi, T. Chiba, M. lino M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94)

92 JULY 26, 1999 C&EN

11:20—29. Molecular modeling of gas oil hydrodesulfurization. G. Hou, M. T. Klein 11:45—30. Molecule-based modeling of gas oil FCC. A. Kumar, M. Klein Section Β Convention Center Room 205 M Molecular and Network Structures of Coal

R. E. Winans, Presiding

1:30—12. Hydrogen transfer from catalyst in termediate prototypes to stabilized free radicals. J. A. Franz, D. S. Kolwaite, J. C. Linehan, J. C. Birnbaum, E. Rosenberg 1:55—13. Experimental approaches to mea sure the chemical and physical properties of radical intermediates: Time-resolved photoacoustic calorimetry with a layered prism cell. T. Autrey, N. Foster 2:20—14. Variational transition-state theory methods for calculating reaction rate con stants in gas and condensed phases. B. Garrett 3:05—Intermission. 3:15—15. Thermochemistry, solvation, and dy namics. D. G. Truhlar, P. L. Fast, M. L. Sanchez, J. C. Corchado, Y-Y. J. Chuang, J. Li, T. T. Zhu, G. D. Hawkins, C. J. Cramer 4:00—16. Combined static and dynamic den sity functional theory approach to elemen tary reaction steps in homogeneous catal ysis. P. Margl, T. K. Woo, R. Schmid, T. Ziegler

8:30—31. Change in physical and chemical characteristics of brown coal along with a process of moisture release. H. Kumagai, J-l. Hayashi, T. Chiba, K. Nakamura 8:55—32. Electric charge redistribution in duced by hydrogen bonding in low-rank coals. E. Kroo 9:20—33. In situ FT-IR measurement of the change in hydrogen bonding of coal through heat treatment. K. Miura, K. Mae, W. Li, T. Kusakawa, A. Kumano 9:45—Intermission. 9:55—34. Quantitative description of oxida tive degradation of brown coal in aqueous phase based on lattice statistics. J-l. Ha yashi, T. Chiba 10:20—35. Coal degradation through extrac tion and depolymerization in a flowing sol vent under pressure. K. Miura, K. Mae, Y. S. Hwang, R. Ashida, M. Morimoto 10:45—36. Hydrogen transfer between coal and tritiated organic solvent. A. Ishihara, I. P. Sutrisna, M. Saito, W. Qian, T. Kabe

Section Β Convention Center


Room 205M

M Molecular and Network Structures of Coal

IGCC Process Science and Technology

R. E. Winans, Presiding

A. A. Lizzio, Organizer, Presiding

1:30—17. Phenolic resins as models for the structure of coal. P. C. Painter, P. Opaprakasit, M. Sobkowiak, A. Scaroni 1:55—18. Effect of various additives on sol vent extraction of coals. M. lino, T. Takanohashi, E. S. V. Giray, C. Chen, Y. Masui, K. Takahashi 2:20—19. Role of solvent in the interaction of TCNE/TCNQ with coal. C. Chen, M. lino 2:45—20. Molecular size and structure in ex tracts of Upper Freeport coal. J. E. Hunt, R. E. Winans 3:10—Intermission. 3:20—21. Construction of model structures of Upper Freeport coal extracts using solid-state 13C-NMR chemical shift calcu lation. H. Kawashima, T. Takanohashi 3:45—22. Adsorption and diffusion of alcohol vapors for Argonne premium coals. T. Ta kanohashi, Y. Terao, M. lino 4:10—23. Synergistic effects on solvent swelling of coal. T. Aida, E. Suzuki, I. Ya manishi, M. Sakai 4:35—24. Structure of coals revealed by slow step scan XRD at their swelling. K. Sakanishi, I. Watanabe, I. Mochida

8:30—37. Changing markets and needs refocus and expand the Federal Energy Tech nology Center's gasification-based tech nologies program. G. J. Stiegel, R. C. Maxwell 9:20—38. Staged coal gasifier for power generation and fuel production. A. Morihara, F. Kiso, T. Akiyama, Y. Yoshii, S. Tsujiguchi, J. Iritani 9:55—39. Increasing reactivity of Illinois coal for use in IGCC processes. A. A. Lizzio 10:20—Intermission. 10:30—40. Chemically active aerogels for hot gas cleanup in an IGCC process. U. M. Graham, G. A. Thomas 10:55—41. Hot gas desulfurization with Z-sorb sorbents. G. P. Khare, G. J. Greenwood 11:20—42. Experimental study on the flame stability and the NOx emission characteris tics of low calorific value coal-derived gas fuel using flat flame burner. C. Lee, Y. C. Kim, H. T. Kim 11:45—43. Study on the slagging behavior of coal ash in gasification/combustion envi ronment using DTF. K. Hyung-Taek, B. C. Choi, S. H. Parkn

M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94)

MONDAY MORNING



Convention Center Room 204 • Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion Cosponsored with Division of Physical Chemistry

M. T. Klein, Presiding 8:30—25. Toward a new generation of hy drocarbon reaction models. J. H. Shinn, A. N. Patel 9:15—26. Simulation of chemical mecha nisms using computational methods. M. J. Manka 10:00—27. Application of computer genera tion of reaction mechanisms using quanti tative rate information to hydrocarbon pyrolysis. M. J. De Witt, D. J. Dooling, L J. Broadbelt 10:25—Intermission. 10:35—28. First-principles study of poisoning by sulfur and depoisoning by chlorine of palladium-based hydrogénation catalysts: From clusters to surfaces. H. P. Toulhoat, P. A. Gravil, G. Valerio

Section A Convention Center Room 204 M Molecular and Network Structures of Coal

R. E. Winans, Presiding 1:30—44. Evaluation of coal tar pitch frac tions as feedstocks for thermally stable jet fuel. S. Butnark, M. W. Badger, H. H. Schobert 1:55—45. C-C bond fission during heat treat ment of coal in the presence of polycyclic aromatic compounds. K. Kidena, N. Bandoh, M. Kouchi, S. Murata, M. Nomura 2:20—46. Effects of superacid depolymeriza tion and catalytic hydrogénation on pyrolysis reactivity of Illinois No. 6 coal. H. Takagi, T. Isoda, K. Kusakabe, S. Morooka


2:45—Intermission. 2:55—47. Determination of structural variations for a series of steam-activated anthracites. M. M. Maroto-Valer, J. M. Andrésen, H. H. Schobert 3:20—48. Investigation of the structural factors for the appearance of coal plasticity. K. Kidena, M. Hiro, Y. Tani, T. Chikada, S. Murata, M. Nomura 3:45—49. Characterization of products from coal/resid cocoking. A. E. Fickinger, M. W. Badger, G. D. Mitchell, H. H. Schobert

Section Β Convention Center Room 205 • Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion Cosponsored with Division of Physical Chemistry

J. A. Franz, Presiding 1:30—50. Kinetic solvent effects on hydroxylic hydrogen atom abstractions. J. Lusztyk 1:55—51. Thermal conversions of conjugat ed cyclic polyenes with endocyclic trans carbon-carbon double bonds. D. Hasselmann, C. Richter, M. Hoppe, M. Glunz 2:40—52. Use of reaction intermediates to probe supercritical fluid solvent effects. J. E. Chateauneuf, J. F. Brennecke 3:05—Intermission. 3:20—53. Solution-phase chemistry of atom ic hydrogen: Reactions with organic sub strates. D. D. Tanner, M. Vigneswaran, P. Kandanarchchi, N. C. Das, J. A. Franz 4:05—54. Reactions of atomic hydrogen in water: Solvent and isotope effects. D. M. Bartels Η Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94) 5th International Symposium on Advances of FCC cosponsored with Division of Petroleum Chemistry (see page 121)


Sci-Mix 8:00-10:30 10,17, 26, 27, 35, 40, 52. See previous listings. 61, 65, 86, 100, 102, 108, 115. See subse quent listings.

TUESDAY MORNING Section A Convention Center Room 204 • Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion Cosponsored with Division of Physical Chemistry

J. A. Franz, Presiding 8:30—55. Consequences of surface confine ment on free-radical chemistry. A. C. Buchanan III, P. F. Britt 8:55—56. Selective oxidation of alkanes pro moted by copper ions. D. M. Camaioni, M. A. Lilga, J. T. Bays, J. C. Linehan, W. J. Shaw, J. C. Birnbaum 9:20—57. Estimating the heats of formation of hydrocarbon radicals by a semiempirical calculation. X. Ma, H. H. Schobert 9:45—Intermission. 9:55—58. Estimating the activation energy for hydrogen abstraction reactions by a semiempirical calculation. X. Ma, H. H. Schobert 10:20—59. Mechanistic investigations into the decarboxylation of aromatic carboxylic acids. P. F. Britt, A. C. Buchanan III, T. P. Eskay, W. S. Mungall

Section Β Convention Center Room 205 • Resid Characterization and Upgrading

S. Eser, M. A. Plummer, Organizers S. Eser, Presiding 8:30—60. Overview of resid characterization by mass spectrometry and small-angle scatter ing techniques. R. E. Winans, J. E. Hunt

9:15—61. Petroleum asphaltene molecular size and structure. H. Groenzin, Ο. C. Mullins 9:35—62. Use of laser techniques for the study of asphaltene aggregation and ad sorption. S. A. Acevedo, M. A. Ranaudo, J. Castillo, M. Caetano 9:55—Intermission. 10:05—63. Study on the micelle size of asphaltenes in vacuum residue by dielectric loss. M. Fujii, T. Yoneda, Y. Sanada 10:25—64. Covalent structure and molecular architecture of Athabasca asphaltenes. O. P. Strausz, P. Peng, J. Murgich 10:45—65. Stability of the asphaltene and resin aggregates and their chemical reac tivity. J. Murgich, R. Isea, J. Abanero, O. P. Strausz 11:05—66. Stochastic modeling of petroleum resid: The use of reactivity information in structure determination. A. Vasudeva, A. Kumar, M. T. Klein 11:30—Division Business Meeting. M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94) 5th International Symposium on Advances of FCC cosponsored with Division of Petroleum Chemistry (see page 122)


1:55—73. Characterization and adsorption treatment of vacuum residue fractions with carbons. K. Sakanishi, T. Manabe, I. Watanabe, I. Mochida 2:20—74. Sulfur characterization in asphalt ene, resin, and oil fractions of two crude oils. S. Mitra-Kirtley, O. C. Mullins, C. Y. Ralston, C. Pareis 2:45—75. Fractionation and molecular analy sis of vacuum-residue asphaltenes. M-G. Yang, S. Eser 3:10—Intermission. 3:20—76. Colloidal natures of two typical Chinese vacuum residua—I: Colloidal structures in terms of SFEF fractions. S. Li, H. Fu, C. Liu, W. Liang 3:45—77. Colloidal natures of two typical Chinese vacuum residua—II: Revisit and characterization of colloidal structures. S. Li, H. Fu, C. Liu, W. Liang, Z. Zhang 4:10—78. Preliminary results on the molecu lar structures of the Athabasca and Cold Lake asphaltenes. J. P. Mathews, S. Eser, P. Rahimi 4:35—79. Structural analyses of petroleum asphaltenes and resins after HDM and subsequent HDS treatments. H. Seki, F. Kumata H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) 5th International Symposium on Advances of FCC cosponsored with Division of Petroleum Chemistry (see page 122)

WEDNESDAY MORNING

• Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion Cosponsored with Division of Physical Chemistry


J. A. Franz, Presiding

• Resid Characterization and Upgrading

1:30—67. Prediction of catalyst activity pat terns for methane (C0 2 ) reforming based on combinatorial pathway generation and energetics. R. E. Valdes-Perez, I. Fishtik, A. V. Zeigarnik 1:55—68. Magnetic imaging of FCC feed stocks to model aspects of their cracking kinetics and product slates. P. S. Virk 2:20—69. Modeling of reactivity of Lewis and Bronsted sites. D. Farcasiu 2:45—Intermission. 2:55—70. Synergistic effects of hybrid hydro gen donors toward stabilization of paraffinic jet fuels in the pyrolytic regime. J. M. Andrésen, J. J. Strohm, M. M. Coleman, C. Song 3:20—71. Alkylated intermediate of cycloalkanes for stabilization of paraffinic jet fuels under pyrolytic conditions. J. M. Andrésen, J. J. Strohm, C. Song

8:30—80. Structural insights to heavy resid ua and coal for designing upgrading pro cesses. I. Mochida 9:15—81. Separability of Cold Lake bitumen and Arab heavy vacuum resid. I. A. Wiehe 9:40—82. Promotional effect of initiators in hydrothermal cracking of resids. J. Chang, L. Fan, K. Fujimoto 10:05—Intermission. 10:15—83. Effect of steam on coking chem istry of Athabasca bitumen. R. Dutta, W. McCaffrey, K. Muehlenbachs, M. Gray 10:40—84. Processability and thermal be havior of Athabasca bitumen with varying asphaltenes concentration. T. Gentzis, P. Rahimi

Section Β Convention Center Room 205 • Resid Characterization and Upgrading

M. Plummer, Presiding 1:30—72. Structure and reactivity of the as phaltene fraction of an Arabian light/ medium crude mixture. M. Nomura, K. Kidena, S. Murata, Y. Su, L. Artok, Y. Miyatani

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A

ENVIRONMENTAL ISSUES H MATERIALS

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PETROCHEMICALS

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Section A

S. Eser, Presiding

11:50—92. Hydrogen production from distillery waste with bacterial coculture and its use in fuel cell. M. Sundaram, G. Balagopal, T. Vatsala

5th International Symposium on Advances of FCC cosponsored with Division of Petroleum Chemistry (see page 122)


THURSDAY MORNING

5th International Symposium on Advances of FCC cosponsored with Division of Petroleum Chemistry (see page 122)

WEDNESDAY AFTERNOON Section A Convention Center Room 204 Hydrogen Production, Storage, and Utilization Cosponsored with Division of Environmental Chemistry and Division of Petroleum Chemistry

F. S. Lau, Presiding 1:30—93. Novel technique for the production of hydrogen using plasma reactors. R. G. Mallinson, L. L. Lobban, C. L. Gordon, P. J. Howard, T. A. Caldwell 1:55—94. Technoeconomic analysis of hydrogen production from western coal augmented with C 0 2 sequestration and coalbed methane recovery. P. Spath, W. Amos, H. Chambers, D. R. Madden, D. Smith, W. Shelton 2:20—95. On perspectives of C02-free production of hydrogen from hydrocarbon fuels for small-scale applications. N. Z. Muradov 2:45—96. Fuel-processing options for proton exchange membrane systems for mobile applications. R. A. J. Dams, P. R. Hayter, S. C. Moore 3:10—Intermission. 3:20—97. Unmixed reforming: An advanced steam-reforming process. R. V. Kumar, J. A. Cole, R. K. Lyon 3:45—98. Fuel flexible partial oxidation reforming of hydrocarbons for automotive applications. J. P. Kopasz, R. Wilkenhoener, S. Ahmed, J. D. Carter, M. Krumpelt 4:10—99. Hydrogen production via methanol: Steam reforming using catalysts containing a hydrotalcite phase structure. L. M. Kearns, J. C. Amphlett, E. Halliop, H. M. Jensen, R. F. Mann, B. A. Peppley 4:35—100. System optimization and cost analysis of plasma catalytic reforming of hydrocarbons. L. Bromberg, D. R. Cohn, A. Rabinovich, N. Alexeev, S. Tamhankar, R. Ramprasad

Section Β

Section Β



Hydrogen Production, Storage, and Utilization Cosponsored with Division of Environmental Chemistry and Division of Petroleum Chemistry

• Resid Characterization and Upgrading

Κ. Ε. Grégoire Padro, F. S. Lau, Organizers K. E. Grégoire Padro, Presiding 8:30—85. Hydrogen research and development program. N. Rossmeissl 9:15—86. Isolation of Chlamydomonas hydrogenase mutants with improved oxygen tolerance. T. Flynn, M. Ghirardi, M. Siebert 9:40—87. Renewable hydrogen production by photosynthetic water splitting. E. Greenbaum, J. W. Lee, S. L. Blankinship 10:05—88. Production of hydrogen from biomass by pyrolysis/steam reforming. S. Czernik, R. French, C. Feik, E. Chornet 10:30—Intermission. 10:40—89. Development of porous ceramic membranes for a solar thermal watersplitting reactor. A. Kogan 11:00—90. Ultrasafe hydrogen generator: Aqueous, alkaline borohydride solutions and Ru catalyst. S. C. Amendola, S. Sharp-Goldman, M. S. Janjua, M. T. Kelly, P. J. Petillo, M. Binder 11:25—91. Sustainable hydrogen for the hydrogen economy. R. W. Breault, A. McClaine, J. Rolfe, C. Larson

S. Eser, Presiding 1:30—101. Effect of carbon-based additives on mesophase formation from Athabasca bitumen. T. Gentzis, P. Rahimi, R. Malhotra, A. Hirschon 1:55—102. Catalysts to maximize cycle length of vacuum residue hydrodesulfurization unit. S. Kressmann, V. Harlé, P. Tromeur, S. Kasztelan, F. Morel, I. Guibard 2:20—103. Pilot-plant study of the performance of an industrial Mo0 3 /AI 2 0 3 catalyst in hydrotreatment of Kuwait atmospheric residue. A. Stanislaus, S. Fukase, R. Koide, A. Al-Barood, A. Marafi, F. Al-Jasem, M. Absi-Halabi 2:45—Intermission. 2:55—104. Characterization of coke on HDS catalysts and a novel approach to catalyst regeneration. C. Snape, Y. Tyagi, M. Castro Diez, P. J. Hall, S. C. Martin 3:20—105. Hydrogénation of petroleum residua in different fluid media. M-G. Yang, Q-F. Zha, S. Eser H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95)



Section A

Hydrogen Production, Storage, and Utilization Cosponsored with Division of Environmental Chemistry and Division of Petroleum Chemistry

C E . Grégoire Padro, Presiding 8:30—106. Performance testing of hydrogen transport membranes at elevated temperatures and pressures. K. S. Rothenberger, A. V. Cugini, R. V. Siriwardane, D. V. Martello, J. A. Poston, E. P. Fisher, W. J. Graham, U. B. Balachandran, S. E. Dorris 8:55—107. Inert membrane reactor model: Enhanced hydrogen production from the water gas shift reaction. R. M. Enick, A. V. Cugini, K. S. Rothenberger, H. G. Mcllvried 9:20—108. First-principles study of hydrogen-metal interaction in various metals. Y. Yokoi, T. Seki, I. Yasuda 9:45—109. Hydrogen separation using ternary polymer blend compared with the inorganic zeolite materials. K. R. Sharma 10:10—Intermission. 10:20—110. Application of a hydrogen risk assessment method. M. R. Swain, E. S. Grilliot, M. N. Swain 10:45—111. Low-cost hydrogen sensors for hydrogen fuel safety. M. Daughtery, D. Haberman, C. Salter, D. Benson, B. Hoffheins 11:10—112. International Energy Agency's hydrogen R&D activities. C. C. Elam, C. E. Grégoire Padro, G. Sandrock, B. Gaudernack 11:35—113. Modeling of sustainable hydrogen production/storage energy systems for remote applications. E. Martin, N. Muradov x.

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Section Β

Convention Center Room 205 Recent Advances in Fuel Cells

M. A. Wojtowicz, Organizer 8:30—114. Performance of an ambient pres sure cell stack operating under synthetic gasoline reformate. S. Kocha, A. Gaskins Jr., P. Plasse, D. Wheeler 8:50—115. Optimal operating temperature and pressure of PEM fuel cell systems in automotive applications. F. Barbir, B. Balasubramanian, J. Neutzler 9:10—116. Preparation of Pt-Ru or Pt-Mo supported catalysts for PEM or direct methanol fuel cells from single-source mo lecular precursors. C. M. Lukehart, D. L. Boxall, J. D. Corn, M. Hariharasarma, W. D. King, K. C. Kwiatkowski, E. S. Steigerwalt, E. A. Kenik 9:30—Intermission. 9:40—117. Selective oxidation of CO in H 2 (selectoxo) for fuel cell applications. R. J. Farrauto, O. Korotkikh 10:00—118. Catalytic reactor for improved carbon monoxide control in hydrogen feed stream. J. K. Hong, M. A. Inbody, J. C. Hedstrom, J. I. Tafoya, N. E. Vanderborgh 10:20—119. Compact fuel processors for fuel cell electric vehicles (FCEVs). P. S. Chintawar, W. L. Mitchell, M. Hagan, B-X. He, S. K. Prabhu M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95)

THURSDAY AFTERNOON ±.

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4

Section A

Convention Center Room 204 Hydrogen Production, Storage, and Utilization Cosponsored with Division of Environmental Chemistry and Division of Petroleum Chemistry

F. S. Lau, Presiding 1:30—120. Chemical-hydride slurry for a PEM fuel cell vehicle hydrogen. R. W. Breault, C. Larson, R. Jon

JULY 26, 1999 C&EN 9 3

FUEL/GEOC/HIST/TECHNICAL PROGRAM

1:55—121. Electrochemical investigation of YxZri_xMnmFenCOpV0Crq (m+n+o+p+q = 2) electrode for Ni-MH battery application. N. Rajalakshmi, K. S. Dhathathreyan, S. Ramaprabhu 2:20—122. Interaction of hydrogen with nanoporous carbon materials. T. D. Jarvi, J. Sun, L. F. Conopask, S. Satyapal 2:45—123. Catalytically enhanced sodium aluminum hydride as a hydrogen storage material. C. Jensen, R. Zidan, S. Takara, A. Hee, K. Magnuson, C. Hagen Convention Center Room 205

SeCtion

B

Origin of Elements in the Solar System: Implications of Post-1957 Observations cosponsored with Division of Nuclear Chemistry & Technology (see page 109)

SUNDAY AFTERNOON Section A Convention Center Room 206 M Applications of NMR to Complex Systems Fuel Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry

General Papers

J. A. Franz, Organizer T. Gentzis, Presiding 1:30—124. Value-added products from the enlarged Wombat reactor. D. L. Wertz, S. B. DuBose, A. D. Trahan, S. Booth, S. Kosbab, J. Wolf 1:50—125. Preoxidation effects on the energetics of rapid coal pyrolysis. H. B. Kwon, F. J. Vastola 2:10—126. Predicting the effectiveness factor for mth order Langmuir rate equations in spherical coordinates. T. H. Fletcher, J. Hong, W. C. Hecker 2:30—127. Kinetics of high-pressure char oxidation. T. H. Fletcher, R. J. Sawaya, J. W. Allen, W. C. Hecker, L. D. Smoot 2:50—Intermission. 3:00—128. In situ CIR-FTIR characterization of catalytic cracking of supercritical endothermic fuels over different zeolites. Z. Dardas, W. R. Moser, L. J. Spadaccini, D. R. Sobel 3:20—129. Flow properties of asphalt cements compounded with synthetic polymers. P-H. Yeh, I. I. Negulescu, W. H. Daly 3:40—130. Hydrogénation reactivity of monoaromatic compound in polar solvents over Ru/Al 2 0 3 catalyst. H. Takagi, T. Isoda, K. Kusakabe, S. Morooka 4:05—131. Methane activation and aromatization without using oxidants over Mo/HZSM-11 catalysts. S. Li, C. Zhang, D. Wang, Q. Kan, T. Wu, L. Lin H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95)

R. J. Pugmire, Presiding 1:45—5. NMR studies for a new carbonization process with high-temperature preheating. K. Saito, I. Komaki, M. Hatakeyama, K. Katoh 2:10—6. 7Li solid-state NMR of intercalated amorphous carbons: Structure and electronic properties. S. E. Hayes, W. R. Even Jr., R. A. Guidotti, H. Eckert 2:35—7. Model for nitrogen release during primary coal pyrolysis derived from 13CNMR data. T. H. Fletcher, S. T. Perry, M. S. Solum, R. J. Pugmire 3:00—8. Thermally and solvent-induced change in the associated molecular structure of coal: An in situ 1H-NMR study. H. Kumagai, R. Moriyama, M. Morita, J-I. Hayashi, T. Chiba 3:25—Intermission. 3:40—9. Application of in situ 1H-NMR to polymer degradation and comparisons with coal carbonization. C. E. Snape, S. C. Martin 4:05—10. Search for retrogressive reactions accompanying demineralization in native and air-oxidized coals. E. Hagaman, E. Galipo 4:30—11. Structural determination in carbonaceous materials with recently developed 1-D and 2-D NMR techniques. J. Z. Hu, M. S. Solum, R. J. Pugmire, D. M. Grant Origin of Elements in the Solar System: Implications of Post-1957 Observations cosponsored with Division of Nuclear Chemistry & Technology (see page 110)

MONDAY MORNING Section A Convention Center Room 206

GEOC

Ν Applications of NMR to Complex Systems Geochemistry Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry

DIVISION OF GEOCHEMISTRY

P. G. Hatcher, Presiding

A. Bishop, Program Chair SUNDAY MORNING Section A Convention Center Room 206 H Applications of NMR to Complex Systems Tutorial Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry

R. E. Botto, Organizer, Presiding 8:30—Introductory Remarks. 8:35—1. Introduction to NMR for chemists. Y. Xia 9:25—2. Recent advances in multidimensional solid-state NMR spectroscopy. L. Frydman 10:15—Intermission. 10:30—3. New high-resolution NMR techniques for solids. T. Gullion 11:20—4. NMR imaging of materials. B. Bliimich

9 4 JULY 26, 1999 C&EN

9:00—12. Evaluation of DNAPL migration in porous media using an MRI. Η. Κ. MooYoung Jr., M. Pervizpour, S. Pamukcu 9:25—13. Application of multidimensional NMR to the investigation of polysesquiterpenoid resins. K. B. Anderson, J. V. Muntean 9:50—14. Structure analysis of soil humâtes by liquid-state, multinuclear, and multidimensional NMR. T. W. M. Fan, A. N. Lane, R. M. Higashi 10:15—Intermission. 10:30—15. Solid-state 13C-NMR quantification of humic acid composition by DP/MAS corrected by CP/T r TOSS. J. Mao, W. Hu, K. Schmidt-Rohr, B. Xing 10:55—16. Discovery of crystalline and amorphous aliphatic components in humic substances using solid-state NMR. B. Xing, W. Hu, J. Mao, K. Schmidt-Rohr 11:20—17. Biogeopolymer view of humics via NMR and other techniques. R. L. Cook, C. H. Langford

Section Β



Geochemistry and Bioavailability of Nitrogen and Phosphorus in Dissolved Organic Compounds

Trace-Metal Speciation in Sediments

W. M. Landing, Organizer, Presiding 8:30—Introductory Remarks. 8:35—18. Ammonium and amino acid photoproduction from aquatic humic and colloi dal matter. M. A. Tarr, W. Wang, E. Engelhaupt, T. S. Bianchi 9:00—19. Relating source and physicochemical characteristics of dissolved organic carbon in natural and anthropogenic sys tems. L. B. Sonnenberg, S. L. Croghan, A. L. Degryse 9:25—20. Role of nitrogen in the physicochemical characteristics of dissolved or ganic matter. L. B. Sonnenberg, S. L. Croghan 9:50—21. Reactions of LMW nitrogen com pounds with humic substances. K. A. Thorn 10:15—Intermission. 10:30—22. Isotopic composition of dissolved organic nitrogen in the subtropical North Pacific. J. Abell, A. Devol, S. Emerson 10:55—23. Organo-phosphorus compounds in Chesapeake Bay coastal plain sedi ments and associated water from two wa tersheds with different land management practices. N. S. Simon, J. Isbister, J. Margraf, O. P. Bricker 11:20—24. Speciation and reactivity of or ganic phosphorus compounds in the Flori da Everglades. W. M. Landing

1:00—Introductory Remarks. 1:05—32. Carbonate effects on the surface complexationofCr(VI)andPb(ll)withgoethite. M. Villalobos, J. D. Ostergren, M. A. Trotz, J. O. Leckie 1:30—33. Effect of Mn(lll) availability on the oxidation of Cr(lll) by birnessite. P. S. Nico, R. J. Zasoski 1:55—34. Transformations of metal-thiol com plexes in natural waters. L. A. Schaider, D. L. Sedlak 2:20—35. Metal contamination associated with U.S.-Mexican border industries. M. M. Strait, E. C. Lorenz 2:45—Intermission. 3:00—36. Partitioning of trace metals in the intertidal sediments of the Medway Estu ary, Kent, U.K. K. L. Spencer, C. L. Mac Leod, D. S. Wray 3:25—37. Historic mercury sedimentation in Lake Barco: Results from the Florida Aquatic Ecosystem Mercury Cycling & Modeling Project. W. M. Landing, S. A. Sigler 3:50—38. Mercury partitioning in a former Royal Navy dock basin at Chatham Mari time, Kent, U.K. J. Sawle, C. L. MacLeod, P. Doyle 4:15—39. Can selective extractions provide useful information about mercury specia tion in sediments and soils? N. S. Bloom, R. R. Turner



MONDAY AFTERNOON

TUESDAY MORNING Section A

Convention Center Room 206 M Applications of NMR to Complex Systems Geochemistry Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry

P. G. Hatcher, Presiding 1:30—25. Xenon gas diffusion NMR as a probe of porous media tortuosity. R. W. Mair, G. P. Wong, D. Hoffmann, M. D. Hurlimann, L. M. Schwartz, S. Patz, R. L. Walsworth 1:55—26. Double resonance solid-state 13C15 N NMR experiments for studying the humification of TNT in soils. H. Knicker 2:20—27. Characterization and function of humic macromolecules extracted from de composing organic matter. Y. Chen, B. Chefetz, Y. Hadar 2:45—Intermission. 3:00—28. 2H-NMR-characterization of noncovalent interactions between monoaromatic compounds and dissolved humic and fulvic acids. M. A. Nanny, J. P. Maza 3:25—29. 2-D NMR spectroscopy of humic substances. N. Hertkorn, I. V. Perminova, P. Schmitt-Kopplin, A. Permin, D. Kovalevskii, A. Kettrup 3:50—30. Characterization of dissolved or ganic matter from the Ems-Dollart estuary and the North Sea using ramp-CPMAS 13 C-NMR. J. D. H. van Heemst, K. J. Dria, P. G. Hatcher 4:15—31. Characterization of Harvard Forest soils and their associated plant compo nents by NMR and other methods. K. J. Dria, D. B. Dail, J. D. Chorover, E. A. Dav idson, P. G. Hatcher


R. T. Powell, Organizer, Presiding

Convention Center Room 206 M Applications of NMR to Complex Systems Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry

P. Grandinetti, Presiding 9:00—40. Quantifying phase-separation in phosphorus chalcogenide glasses by multiple-phase 31 P-NMR and variable high-temperature 77Se-NMR. P. F. Mutolo, H. Eckert 9:25—41. Single- and double-resonance, high-resolution solid-state NMR studies of sodium aluminophosphate and sodium aluminoborosilicate glass systems. J. M. Egan, R. M. Wenslow, K. T. Mueller 9:50—42. 1 7 0 3QMAS NMR study on borosilicate glasses. P. Zhao, J. Stebbins Sr. 10:15—Intermission. 10:30—43. Dihedral angle distributions: The fraction of rings in boron oxide glass. J. W. Zwanziger, U. Wemer-Zwanziger, C. Joo 10:55—44. Extent of disorder in oxide glass es: The view from NMR. J. F. Stebbins 11:20—45. Silicate and phosphate lead glasses: Short- and longer-range order from solid-state NMR. D. Massiot, F. Fayon, C. Bessada, J-P. Coutures Origin of Elements in the Solar System: Implications of Post-1957 Observations cosponsored with Division of Nuclear Chemistry & Technology (see page 111)

TUESDAY AFTERNOON Convention Center Room 206 M Applications of NMR to Complex Systems Glasses Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry

Ρ Grandinetti, Presiding 1:30—46. Characterization of disordered sol ids by 17 0-NMR. Μ. Ε. Smith 1:55—47. Recent progress for structural elu cidations of glasses. C. Jaeger, L. Olivier, R. Witter, P. Hartmann, M. Braun, A. Cormack 2:20—48. NMR studies of germanate and sil icate glasses. R. Dupree 2:45—49. Using heteronuclear MAS NMR correlations to probe the structure of phos phate glasses. T. M. Alam, D. P. Lang 3:10—Intermission. 3:25—50. 29 Si MAS NMR investigation of aluminum location in zeolite molecular sieves. S. Prasad, J. S. Shore 3:50—51. Evidence of cation ordering around bridging and nonbridging oxygen in K 2 0 2 Si0 2 . P. Grandinetti, P. Florian, K. Vermillion, J. Stebbins Sr. 4:15—52. Characterization of connectivities between P 0 4 units in zinc phosphate glasses by NMR. M. Pruski, J. W. Wiench, B. Tischendorf, J. Otaigbe Origin of Elements in the Solar System: Implications of Post-1957 Observations cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

WEDNESDAY MORNING Convention Center Room 206 M Applications of NMR to Complex Systems Polymers

11:20—58. Solid-state NMR of tri-p-tolylamine/polycarbonate blends. T. Guilion, B. D. Kesling, E. Hughes Origin of Elements in the Solar System: Implications of Post-1957 Observations cosponsored with Division of Nuclear Chemistry & Technology (see page 112

WEDNESDAY AFTERNOON Convention Center Room 206 M Applications of NMR to Complex Systems Polymers Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry

A. A. Jones, Presiding 1:30—59. Probing polymer architecture by magnetic resonance microscopy. R. E. Botto, D. Stec, D. M. Gregory 1:55—60. Segmental structure and motion in polyethylene terephthalate) studied by solid-state NMR. M. G. Dunbar, H. Kaji, E. R. de Azevedo, T. J. Bonagamba, K. Schmidt-Rohr 2:20—61. NMR studies of structure and dynamics in fruit cuticle polyesters. R. E. Stark, B. Yan, A. K. Ray, Z. Chen, X. Fang, J. R. Garbow 2:45—Intermission. 3:00—62. Phase structure and dynamics of polyrotaxanes: Solid-state NMR investigations. K. Nagapudi, H. W. Beckham 3:25—63. Fluid distribution and diffusion in engineered fibrous substrates via diffusion NMR and NMR imaging. J. Leisen, H. Klnser, H. W. Beckham 3:50—64. NMR microscopy of polyurethane foams. M. Szayna, R. Voelkel Origin of Elements in the Solar System: Implications of Post-1957 Observations cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry

THURSDAY MORNING

A. A. Jones, Presiding

M Applications of NMR to Complex Systems Catalysts

9:00—53. Critical analysis of network defects in cross-linked elastomers by NMR imag ing. J. L White, J. Gelan, P. Adriaensens, A. Pollaris 9:25—54. Polyelectrolyte-induced domains in amphiphilic assemblies: The deuterium NMR perspective. P. M. Macdonald 9:50—55. Deuterium NMR of deforming ny lon 6. K. K. Gleason 10:15—Intermission. 10:30—56. Polyaniline-dodecylbenzene sul fonic acid polymerized from aqueous me dium: A solid-state NMR characterization. A. Schmidt, S. Kababya, M. Appel, Y. Haba, G. I. Titelman 10:55—57. Fast magic angle-spinning proton NMR studies of polymer surfaces and in terfaces. P. A. Mirau, S. A. Heffner

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THURSDAY AFTERNOON

MONDAY AFTERNOON


Tetrahedral Carbon's 125th Anniversary cosponsored with Division of Organic Chemistry (see page 116)

M Applications of NMR to Complex Systems Catalysts Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry

M. Pruski, Presiding 1:30—71. 207 Pb and 27 AI solid-state NMR studies of lead-exchanged zeolites. H. G. Niessen, C. Dybowski, J. A. Reimer, A. T. Bell, D. R. Corbin 1:55—72. Probing acid sites in catalytic materials with double- and triple-resonance NMR. Κ. Τ. Mueller, M. D. Karra 2:20—73. Structural analysis of catalysts by new high-resolution methods in solid-state NMR. J-P. Amoureux, M. Pruski 2:45—74. Study of the acidity in dealuminated zeolites: Spin-echo, REDOR, and MQMAS techniques. A. Blumenfeld, P. Barré, J. J. Fripiat 3:10—Intermission. 3:25—75. Hydrothermal NMR study of microporous materials chemistry. C. M. Gerardin, M. Haouas, L. Allouche, F. Taulelle, T. Loiseau, G. Ferey 3:50—76. Site preferences in a mixed alkali cation zeolite, Chabazite, studied through MQMAS NMR and neutron diffraction. L. J. Smith, H. Eckert, A. K. Cheetham 4:15—77. In situ NMR of heterogeneous catalysis. J. F. Haw Origin of Elements in the Solar System: Implications of Post-1957 Observations cosponsored with Division of Nuclear Chemistry & Technology (see page 113)

M. Pruski, Presiding 9:00—65.2-D solid-state NMR study of fluorinated alumina catalysts. J-B. d'Espinose de la Caillerie, L. Leplatois, P. P. Man, L. Fisher, V. Harié 9:25—66. Multinuclear NMR spectroscopy on sol-gel processed organometallic/ inorganic hybride catalysts. H. A. Mayer, J. Buechele 9:50—67. Development of variable-temperature isolated flow and large-volume MAS NMR probes for heterogeneous catalysis studies. E. J. Munson, L. E. Kaune, P. K. Isbester 10:15—Intermission. 10:30—68. Solid-state 27AI NMR spectroscopy of methylaluminoxane. L. S. Simeral, P. L. Bryant, A. A. Mrse, E. F. Emery, L. G. Butler 10:55—69. Structural characterization of mesostructured aluminophosphate by NMR. C. Jaeger, M. Schulz, M. Froeba, M. Tiemann 11:20—70. 1 7 0 high-resolution, solid-state NMR study of model titanium-oxo-alkoxo clusters and nanoparticles of Ti0 2 . D. Massiot, C. Magnenet, E. Scolan, C. Sanchez

Sci-Mix

R. A. Egolf, Organizer, Presiding 8:00-10:30 1. See previous listing. 15. See subsequent listing.

TUESDAY MORNING Hilton Hotel Grand Salon A4,1st Floor H Global Salute to Polymers Cosponsored with Division of Polymer Chemistry

N. D. Heindel, Organizer, Presiding 8:55—Introductory Remarks. 9:00—6. Polymers in art conservation: The restoration of Rembrandt's "Night Watch" after the 1975 knife attack. D. S. Basford 9:30—7. Malcolm MacKenzie Renfrew: Polymer pioneer. N. R. Natale 10:00—8. Mississippi Section of ACS salutes polymer science department of the University of Southern Mississippi. J-M. Whitfield, S. D. Elakovich, R. Y. Lochhead 10:30—Intermission. 10:45—9. Midland Section of ACS's global salute to polymers. J. D. Blizzard, K. Childs, M. Tegen, J. Sabourin, P. Popa, G. Kohl 11:15—10. Salute to the National Plastics Center & Museum and the Plastics Hall of Fame. V. Wilcox, R. S. Stein

TUESDAY AFTERNOON

HIST

Hilton Hotel Grand Salon A4,1st Floor History of Academic Chemistry Departments


Cosponsored with Division of Fuel Chemistry, Division of Industrial & Engineering Chemistry, and Division of Polymer Chemistry


D. L. Adams, Organizer, Presiding

DIVISION OF THE HISTORY OF CHEMISTRY R. A. Egolf, Program Chair SUNDAY AFTERNOON Hilton Hotel Grand Salon A4,1st Floor General Session

R. A. Egolf, Organizer, Presiding 1:30—1. "Three Musketeers of Physical Chemistry" and how they used the "facts." R. E. Rice 2:00—2. Phlogistic chemistry course. H. Goldwhite 2:30—3. Early studies on double salts. J. T. Stock 3:00—Intermission. 3:15—4. History of chemistry in Cuba. L. Ballester, R. Vega 3:45—5. Chemical industries in the Philadelphia region. M. V. Orna, M. Michalovic, R. T. Tempest

MONDAY MORNING Tetrahedral Carbon's 125th Anniversary cosponsored with Division of Organic Chemistry (see page 115)

1:30—Introductory Remarks. 1:35—11. Four giants in a college chemistry department: Oberlin College 1880-1957. N. C. Craig 2:15—12. Chemistry from the outset at New Hampshire's land grant school. P. R. Jones 2:55—Intermission. 3:10—13. One hundred twenty-five years in the chemistry department at Wellesley College: 1875-2000. N. H. Kolodny, J. A. Darlington, H. C. Mann, E. R. Webster 3:50—14. Mount Holyoke College: One hundred sixty-two years of chemistry for women. K. L. Williamson

WEDNESDAY MORNING Hilton Hotel Grand Salon A4,1st Floor History of Academic Chemistry Departments

R. A. Egolf, Presiding 8:30—15. History of chemical education at Lafayette College. R. A. Egolf 9:10—16. University of Massachusetts, Amherst, chemistry: Catalyst for constructive change. D. L. Adams 9:50—17. Early instance of gender diversity in a chemistry department: Louisiana State University in the 1950s. S. Hanlon



JULY 26, 1999 C&EN 9 5

I&EC/INOR/TECHNICAL PROGRAM

1:30—1. New catalyst technology for the se lective oxidation of feedstock aromatic compounds to commodity chemicals. C. L. Marshall, L. E. Iton, E. A. Gardner, F. Sherif, Z. C. Zhang, R. Rao, H. H. Kung, K. Popp 1:50—2. Selective catalytic oxidative dehy drogenation of alkanes to olefins. N. Jack son, J. Miller, C. Zhang, G. Whitwell, J. Newsam 2:10—3. Nanoscale catalysts based on mo lybdenum and tungsten carbides and oxycarbides. D. Moy, C-M. Niu, J. Ma, J. Willey, F. Ribeiro, J. Yang 2:30—4. Sand to silicones. F. L. Schattenmann, L. N. Lewis 2:50—Intermission. 3:00—5. Oxygen cathode for membrane chlor-alkali cells. R. D. Varjian 3:20—6. Elucidating the role of homoge neous reactions in methane-conversion chemistry in a short-contact-time reactor. D. K. Zerkle, M. T. Paffett 3:40—7. Homogeneous alkane functionalization catalysis. R. T. Baker, J. G. Watkin, C. A. G. Carter, J. E. Bercaw, J. A. Labinger, G. E. Whitwell 4:00—8. Reaction mechanism of the cataly tic oxidative dehydrogenation of ethane to ethylene. S. F. Rice, M. D. Allendorf 4:20—9. Oxidative dehydrogenation of linear and cyclo alkanes. R. S. Rao, Z. C. Zhang, N. Jackson, J. Miller

13. Approximate dynamic models using si multaneous parameter estimation. V. J . Law 14. Quantum chemical studies of reductive activity of Fe(0) and Fe(ll) in reactions with explosives. A. G. Pelmenschikov 15. Coextruded flow modeling using helical coordinates. K. R. Sharma 16. Quantum mechanical models (AMSOL) for the prediction of the distribution of or ganic molecules in aqueous biphasic sys tems. A. D. Carruth, R. D. Rogers 17. Aqueous biphasic systems: Effect of tem perature on partitioning. R. D. Rogers, K. D. Smith, S. K. Spear 18. Effects of temperature on the partitioning of solutes in PEG/salt aqueous biphasic systems. H. D. Willauer, R. D. Rogers 19. Aqueous polymers for the extraction of lignin during alkaline pulping. R. D. Rog ers, J. G. Huddleston, H. D. Willauer 20. Partitioning of iodide in aqueous biphasic systems and uptake on ABEC resins. R. D. Rogers, S. T. Griffin, S. K. Spear 21. Aqueous biphasic systems using polyeth ylene glycol/ammonium carbamate. J. G. Huddleston, K. D. Smith, S. K. Spear, R. D. Rogers 22. Liquid-liquid extraction of organics in room-temperature ionic liquids: Cationic effects. R. D. Rogers, R. P. Swatloski, A. E. Visser 23. Anionic extradants for partitioning metal ions to room-temperature ionic liquids. R. D. Rogers, A. E. Visser, R. P. Swatloski, S. T. Griffin 24. Influence of diluent solvation properties on synergistic solvent extraction by dialkylphosphoric acids and dicyclohexano18-crown-6. A. H. Bond, M. L. Dtetz, R. Chiarizia, A. W. Herlinger, B. P. Hay 25. Ion-selective, polymer-supported re agents with enhanced metal ion accessi bility. S. D. Smith, S. D. Alexandratos 26. Effective trace-metal separation and preconcentration using immobilized biopolymers. M. E. Howard, J. A. Holcombe 27. Uptake of metal ions by crystal-engin eered tetrapyridylporphyrin coordination polymers. R. D. Rogers, G. A. Broker, S. K. Spear 28. Removal of metallic mercury from air by live bacteria immobilized on polyaramide fibers. E. I. Kozliak, S. R. K. Sternberg, M. L. Jacobson, K. W. Kuether, M. D. Mann 29. Synthesis and properties of new analogs of benzalkonium chloride. J. M. Pernak 30. Hydrolysis of ethyl-2-bromoisobutyrate in an alkaline solution. M-L. Wang, G-K. Lam 31. Universal characterization of drag-reduc ing polyisobutylene. H. J. Choi, C. A. Kim, M. S. Jhon 32. Novel water-soluble flame retardants. A. Apblett, S. Ngo, L. Reinhardt 33. Fluorous-phase soluble polymeric ligands for catalysis and metal complexation. J. D. Frels, L. K. Williams, N. Koshti, B. L. Case, D. E. Bergbreiter, J. G. Franchina 34. Bioconversion of toluene to p-hydroxybenzoate by fed-batch cultures of a re combinant Pseudomonas putida. E. S. Miller Jr., S. W. Peretti 35. Automated grafting of Ge thin films in MEMS technology. K. R. Sharma 36. Mesoscopic mixing efficiency in helical ribbon agitators and flow model using he lical coordinates. K. R. Sharma 37. Mesoscopic simulation of thermal degra dation of polycarbonate. K. R. Sharma

H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94)

• Poster Session cosponsored with Division of Nuclear Chemistry & Technology (see page xx)

I&EC DIVISION OF INDUSTRIAL & ENGINEERING CHEMISTRY R. Gatrone, Program Chair D. Phillips, Program Secretary

SOCIAL EVENTS: Social Hour, Sun Luncheon, Tue BUSMESS MEETING: Mon

SUNDAY MORNING M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 109)

SUNDAY AFTERNOON Hilton Riverside Grand Salon A3,1st Floor Energy Department's Office of Industrial Technologies Vision 2020 Projects in Catalysis

A. Manheim, Organizer, Presiding


Hilton Riverside Grand Salon A3,1st Floor • Analytical and Safety-Related Issues in Olefins Units Analytical Approach

SUNDAY EVENING Marriott Bissonett Poster Session: General R. Gatrone, Organizer,

MONDAY MORNING

Presiding

7:00-9:00 10. Why you should be in the Division of In dustrial & Engineering Chemistry. N. Jack son, S. J. Cooke, R. Rogers 11. Join the Separation Science & Technolo gy subdivision of the ACS l&EC Division. J. A. Ritter 12. ACS Office of Industry Relations. V. L. Johnson-Evans

9 6 JULY 26, 1999 C&EN

W. Henstock, N. Akmal, A. M. Usmani, Organizers W. Henstock, Presiding 8:30—Introductory Remarks. 8:35—38. Applications and opportunities for Raman analyzers in the petrochemical in dustry. M. J. Pelletier 9:20—39. Overview of analytical issues in analyzing impurities in ethylene and pro pylene. J. C. Prim 10:05—Intermission.

10:20—40. Analysis of various oxygenates in ethylene and pyrolysis gasoline. N. Ak mal, W. Henstock 11:05—41. Analysis of trace impurities in polymer-grade olefins by GC-MS/PDHID. S. P. Cecil, B. Bischof, D. J. Cuthbert, G. Gonzalez, J. G. Wasson H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 111)

MONDAY AFTERNOON Section A Hilton Riverside Grand Salon A3,1st Floor • Analytical and Safety-Related Issues in Olefins Units Safety and Process Monitoring Cosponsored with Division of Petroleum Chemistry

N. Akmal, Presiding 1:30—42. Caustic system fouling. G. L. Smith, R. L. Burkholder 2:15—43. Reactive materials (polymers) at olefins plants and their identification. N. Akmal, W. Henstock 3:00—Intermission. 3:15—44. Ozone chemiluminescence detec tion: A potential sensitive and specific de tection system for olefin monitoring. N. A. Marley, C. A. Blazer, P. J. Drayton, J. S. Gaffney 4:00—45. Determining the content of antimo ny in metal passivator of FCC catalyst by atom-absorption spectrum. G. Zhao

Section Β Hilton Riverside Grand Salon B10,1st Floor Issues Facing Women Professionals Cosponsored with Women Chemists Committee and Younger Chemists Committee

D. Carter, M. Lesko, Organizers D. Carter, Presiding 1:30—Introductory Remarks. 1:35—46. Chemical workforce in 2020. J. G. Osteryoung 2:00—47. Single mother's experiences in the workplace from 1970-99. E. G. Josey 2:25—48. Issues facing women in multina tional corporations. P. Aikens 2:50—Intermission. 3:00—49. What's the most important thing to know when traveling overseas? S. Matis 3:25—50. High-technology sales opportuni ties for women. P. H. Ward 3:50—51. Factors affecting the recognition of professional women. D. A. McCarthy M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 111)

MONDAY EVENING Convention Center Exhibit Hall A Sci-Mix Cosponsored with Women Chemists Committee and Younger Chemists Committee

A. Bond, Organizer, Presiding 8:00-10:30 10-37. See previous listings. 52. North Jersey Section's outreach to the general public: Chemistry is everywhere and ifs fun to do. V. J. Kuck, A. J. Brandolini


53. Successful local section programs: Na tional Chemistry Week. T. Thewes, T. Furtsch 54. Midland Section's "Bringing Science to Life in the Classroom" workshop: A lasting NCW contribution. G. S. Kohl, J. D. Bliz zard, K. F. Child, M. Tegen, J. Sabourin, P. J. Popa 55. Successful ingredients for a National Chemistry Week event. D. Wells 56. Orinda Family Science Night. M. L Wu, A. Madonik 57. Section successes in outreach: Using chemistry as a tool to achieve science lit eracy. R. M. deGroot, T. Lau, D. McGann, S. Pappatheodoru, E. Siebert 58. Chem Expo 97: National Chemistry Week in San Diego. S. Blackburn, L. Weston 59. Promoting chemistry and the profession: Activities and ideas from the Cincinnati Section. S. E. Ross, F. H. Ebetino, J. J. Knittel 60. Younger chemists' activities at State Uni versity of New York, Buffalo. M. Kane, G. Burgos, S. Daniel, M. Doody, A. M. Hawkridge, C. Kim, S. Panaro 61. St. Louis younger chemists: Building a gateway to the future. J. C. Simpson, C. F. Cohran 62. Northeast student chemistry research conference. D. Simonelli, J. Birtles, C. Bleczinski, S. Eckman, C. Schnitzer, A. Tapper Sci-Mix cosponsored with Division of Nuclear Chemistry & Technology (see page 111)

TUESDAY MORNING Section A Hilton Riverside Grand Salon A3, 1st Floor A Green Chemistry: Environmentally Benign Syntheses

J. Warner, T. C. Williamson, Organizers J. Warner, Presiding 8:30—Introductory Remarks. 8:40—63. Toward a carbohydrate-based re newable resource chemistry. G. Wang, R. I. Hollingsworth 9:00—64. Using multidimensional selfassembly to control physical properties. J. C. Warner, C. Tassa 9:20—65. Environmentally benign polymers based on DNA mimics. J. C. Warner, A. Morelli, M. C. Ku 9:40—66. Enzymes: A rapidly expanding toolbox of catalysts for polymer synthesis. R. A. Gross, D. L. Kaplan 10:00—Intermission. 10:10—67. Polymer-facilitated biphasic ca talysis. D. E. Bergbreiter 10:30—68. Phase-transfer catalysis in super critical fluid systems. C. W. Culp, J. P. Hallett, C. A. Eckert, C. L. Liotta 10:50—69. Fine-particle formation using su percritical carbon dioxide-assisted aerosolization and bubble drying. R. E. Sievers, S. P. Sellers, K. D. Kusek, G. S. Clark, B. J. Korte 11:10—70. Chemical processing alternatives with environmentally benign near-critical water. J. S. Brown III, S. A. Nolen, R. Glaeser, C. A. Eckert, C. L. Liotta 11:30—71. Organic synthesis using metalmediated carbon-carbon bond formations in water. X-G. Hua, Y. Meng, S. Venkatraman, W-C. Zhang, X-H. Yi, J. X. Haberman, C-J. Li

Section Β Hilton Riverside Grand Salon B10 Issues Facing Women Professionals Cosponsored with Women Chemists Committee and Younger Chemists Committee

M. Lesko, Presiding 8:30—Introductory Remarks. 8:35—72. Science-trained professional: A new breed for a new workplace. S. Tobias 9:00—73. Finding the right job. S. L. Knock 9:25—74. Career and family balance in academia. L. E. Parmentier, K. M. White, K. J. Zimmermann 9:50—Intermission.

10:00—75. What I really need is another six or seven hours a day! Can you achieve a work/family balance in the industrial world? T. A. Colletti 10:25—76. So you're married: What to do with two careers in industry. L. S. Davis 10:50—77. Critical roles in diversity success. C. Slmms H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 111)

TUESDAY AFTERNOON Hilton Riverside Grand Salon A3, 1st Floor • Green Chemistry: Environmentally Benign Syntheses

T. C. Williamson, Presiding 1:30—78. Solvent properties of gas-expand ed liquids. K. N. West, A. Eason, C. L. Liotta, C. A. Eckert 1:50—79. Generation of hydrogen peroxide in carbon dioxide. D. Hancu, E. J. Beckman 2:10—80. Conversion of propylene to 1 -butanal through heterogeneous hydroformylation in supercritical carbon dioxide. M. Abraham, G. Snyder 2:30—81. Nitration without nitric acid. A. K. Bose, S. N. Ganguly, V. Srirajan, A. Bhattacharjee, A. H. Sharma, N. Lavlinskaia, M. S. Manhas, R. Damavarapu 2:50—Intermission. 3:00—82. Synthesizing organic compounds using light-activated T i 0 2 . E. SahleDemessie, M. Gonzalez 3:20—83. Relations between physisorption and olefin epoxidation on Ti zeolites (TS-1). P. A. Jacobs, D. E. De Vos, G. Langhendries, G. V. Baron 3:40—84. Bromination and bromide-assisted epoxidation with H 2 0 2 and a solid W cata lyst. P. A. Jacobs, B. F. Sels, D. E. De Vos, M. Buntinx 4:00—85. Copolymerization of propylene ox ide and carbon dioxide using aluminum catalysts. T. Sarbu, E. J. Beckman 4:20—Concluding Remarks. M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

WEDNESDAY MORNING Hilton Riverside Grand Salon A3,1st Floor Emerging Technologies: Waste Management in the 21st Century Wastewater Treatment

D. W. Tedder, Organizer, Presiding 8:30—86. Multicomponent heavy-metal re moval by a recycled iron sortent. E. H. Smith, A. Amini

*


φ

CATALYSIS

•


A

ENVIRONMENTAL ISSUES M MATERIALS *

PETROCHEMICALS

*


9:00—87. Development of a pilot-scale sele nium waste-stream treatment system. T. Leighton, N. Quinn, T. Lunquist, B. Green, W. Oswald, M. Zarate, S. Shafikhani, X. Zing, M. Adamkiewicz, B. Buchanan, P. Allen, N. Edelstein 9:30—88. Respective advantages of titanium dioxide photocatalysis and ultrasound to treat water. P. Pichat, P. Theron, C. Guillard, C. Petrier 10:00—Intermission. 10:30—89. Application of calcium hydroxide for the removal of manganese from carbon ate containing industrial process waste water. R. P. Singh 11:00—90. Pretreatment of copper Dama scene wastewater from chemical and me chanical polishing. E. H. Smith, M. Daniels, M. Bayan 11:30—91. Surfactant-templated mesoporous materials as sorbents for organic pollutants from water. H. Zhao, K. L. Nagy M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

WEDNESDAY AFTERNOON Hilton Riverside Grand Salon A3,1st Floor Emerging Technologies: Waste Management in the 21st Century Wastewater Treatment

D. W. Tedder, Presiding 1:30—92. Treatment of polluted mine water. J. P. Smit 1:50—93. Inhibition of Fenton degradation of hy drophobic pollutants by dissolved natural organic matter. M. A. Tarr, M. E. Lindsey 2:10—94. Application of tungsten and molyb denum blues in remediation processes. A. W. Apblett, B. P. Kiran 2:30—Intermission. 3:00—95. Catalytic wet oxidation of cellulosic wastes. M. Abraham, T. A. Patrick 3:20—96. Reactivity of TNT and RDX on zero-valent iron. C. J. McGrath, W. M. Davis, J. E. Porter 3:40—97. Anaerobic acidogenic pretreat ment of nitrophenol-containing wastewa ter. G. Piringer, S. K. Bhattacharya, K. C. O'Connor

11:30—103. Separation of water isotopes by porous membranes. G. ZakrzewskaTrznadel, A. G. Chmielewski M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

Photochemistry, Photophysics

Hilton Riverside Grand Salon A3, 1st Floor

J. K. McCusker, Presiding

Emerging Technologies: Waste Management in the 21st Century Innovative Treatment and Analysis

D. W. Tedder, Presiding 1:30—104. Biodégradation of tetryl, a common explosive, in a soil slurry reactor. R. Boopathy 2:00—105. Sonochemistry in environmental remediation: Chemistry and reaction engineering. Y. G. Adewuyi 2:30—106. Effect of weathering on treatment of lead-contaminated soil. R. Stanforth, Y. C. Foo, R. Nayar 3:00—Intermission. 3:30—107. Molten salt oxidation for the treatment of spent activated carbon. P. C. Hsu, T. Ford, K. Foster, H. Wallman, B. Watkins, C. Pruneda, M. Adamson 4:00—108. Use of specific microwave frequencies to thermally enhance soil-vapor extraction remediation. G. M. Lane 4:30—109. Effect of how hazard is defined on treatment of lead-contaminated soil. R. Stanforth, J. Obbard, V. Jonioh, X. Min, R. Nayar M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 113)

INOR

Section C

DIVISION OF INORGANIC CHEMISTRY T. Bitterwolf, Program Chair SUNDAY MORNING Section A

Emerging Technologies: Waste Management in the 21st Century Radiochemical Waste Management


D. W. Tedder, Presiding

Frontiers in Organometallic Chemistry

8:30—98. Waste reduction in solvent extrac tion processes utilizing precipitation strip ping for the heavy lanthanides. P. M. Smith, G. K. Schweitzer 9:00—99. Glass-bonded sodalite: A ceramic nuclear waste form. L. R. Morss, M. K. Richmann, D. Lexa 9:30—100. Development of membrane methods for the treatment of low- and intermediate-level radioactive wastes. G. Zakrzewska-Trznadel, M. Harasimowicz, A. G. Chmielewski 10:00—Intermission. 10:30—101. Destruction of combustible mixed waste with hydrothermal process ing. D. D. Padilla, L. A. Worl, S. J. Buelow, D. M. Harradine, J. H. Roberts, X. Shao 11:00—102. Biosorption of metallic cations by bacterial biomass. C. Sahut, P. Ginisty, J. Guezennec

8:30—7. Photophysics of aryleneethynylene π-conjugated oligomers incorporating MLCT chromophores. K. S. Schanze, K. A. Walters, K. D. Ley, Y. Li 8:50—8. Electronic energy transfer in noncovalently linked Ru(ll) diimine/Os(ll) diimine pairs in solution and on solid supports. R. Schmehl, M. Montait), W. Kim 9:10—9. Photochemistry of some organosilanes and organogermanes in a molecu lar beam. M. J. Fink, I. Borthwick, L. C. Baldwin, M. Sulkes 9:30—10. Photophysics of platinum acetylide oligomers. C. E. Whittle, Y. Shen, K. S. Schanze 9:50—11. Photoluminescence of einsteinium in silicate matrix. Z. Assefa, R. G. Haire, N. A. Stump 10:10—12. Electron exchange and the ultrafast dynamics of Cr-quinone complexes. E. A. Juban, J. K. McCusker 10:30—13. Linear and nonlinear optical prop erties of nanoscale semiconductor and metal particles. Y-P. Sun, F. Lin, R. Guduru, J. E. Riggs, H. W. Rollins 10:50—14. Ultrafast excited-state dynamics in transition-metal complexes. J. K. Mc Cusker 11:10—15. Efficient photogeneration of carbanions from benzoyl-functionalized ferro cene complexes. C. Kutal, Y. Yamaguchi 11:30—16. Synthesis, characterization, and photophysical behavior of Ru(ll) diimine complexes having phosphonic acid sub stitueras. S. Wadhwa, W. T. Kim, R. H. Schmehl 11:50—17. Development of photochemical de vices containing luminescent platinum(ll) complexes. M. Hissler, J. E. McGarrah, R. Eisenberg 12:10—18. Unprecedented tetrahedron-tosquare opening in the photochemistry of Fe2(CO)6S2. T. E. Bitterwolf


THURSDAY MORNING Hilton Riverside Grand Salon A3, 1st Floor


THURSDAY AFTERNOON

M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

10:00—4. Main-group element: Main-group element half bonds. G. Bertrand 10:30—5. Recent developments in the cluster chemistry of PNR2, ΡΟΗ, and binary phosphorus oxide (PO,P 2 0,P0 2 ) ligands. A. J. Carty 11:00—6. Rapid screening and combinatori al approaches to homogeneous catalysis. R. H. Crabtree, A. Cooper, J. Loch

R. B. King, Presiding 8:30—1. Group 4 imides with triazacyclic ligands: Metallocene analogs. P. Mountford, P. J. Wilson, M. Schroder, A. J. Blake 9:00—2. Synthesis, structure, and reactivity of homobimetallic Rh(l) and lr(l) complexes of indacene-diide. A. Ceccon 9:30—3. Cyclization reactions of isoelectronic unsaturated ligands promoted by platinum(ll). U. Belluco, R. Bertani, R. A. Michelin, M. Mozzon


General Organometallic

J. P. Rourke, Presiding 8:30—19. Redox chemistry of a new class of platinum-linked triiron clusters: Model complexes for linear cluster arrays. C. C. Borg-Breen, P. S. White, C. K. Schauer 8:50—20. Zirconocene-coupling routes to functionalized macrocyclic building blocks for supramolecular assemblies. J. R. Nitschke, T. D. Tilley 9:10—21. Hydrogénation of carbon dioxide by the complex [CpTi(-H)]2C10H8. J . Ni, J. Zhou, T. Calhoun, A. Graham, K. L Carreras, C. N. Schultz 9:30—22. Mechanism of oxidative addition of aryl halides to palladium(O): Relevance to catalysis and catalyst stability. L. M. Alcazar-Roman, J. F. Hartwig 9:50—23. Synthesis, purification, and characterization of tetrakis(n-phenyltrifluoroacetamido)dirhodium(ll). C. T. Eagle, M. M. Maxsom 10:10—24. Reaction chemistry of three isomers of [Rh2(Nt[C6H54:]COCH3)4]. C. T. Eagle, D. G. Farrar, G. N. Holder, M. L. Hatley, E. V. Olson, S. L. Humphrey, M. Quintos, J. Sadighi, T. Wideman 10:30—25. Novel alkyl aluminum and zinc bis(phosphorano)methanide complexes. K. Aparna, R. G. Cavell 10:50—26. Reactivity studies of novel bis(iminophosphorano) "pincer" carbene complexes of group 4 metals: Fischer-type carbenes with alkylidene-like character. R. P. Kamalesh Babu, R. G. Cavell 11:10—27. Platinum carbenes and carbonyls. J. P. Rourke

JULY 26, 1999 C&EN 9 7

INOR/TECHNICAL PROGRAM

11:30—28. Small molecule coordination, C-H activation, and C-C coupling reac tions with cationic platinum complexes. W. V. Konze, B. L. Scott, G. J. Kubas 11:50—29. Case of highly regioselective alkyne cyclotrimerization by well-defined titanium complexes. F. T. Ladipo, O. V. Ozerov, B. O. Patrick


3:15—45. Chemical principles and their use toward remediation of radioactive contam ination in wastes and the environment. B. A. Moyer 4:15—49. Frontiers of environmental inor ganic and organometallic chemistry. I. T. Horvath


L. Barton, Presiding 9:00—31. Selective fluorination of ΒχΗ bonds. S. H. Strauss 9:30—32. Small metallacarboranes in syn thesis: Beyond metallocenes. R. N. Grimes, M. G. Finn, M. A. Curtis, E. Bor ing, J. M. Russell, T. Dodge, B. Gilmore 10:00—33. Synthetic challenges and struc tural victories in polyhedral borane chem istry. M. F. Hawthorne, A. Herzog, T. Peymann, C. B. Knobler 10:30—34. Metal-catalyzed syntheses of new polyborane monomers and polymers. L. G. Sneddon, M. J. Pender, D. E. Kadlecek, P. J. Carroll 11:00—35. Utilization of monoboranes in the synthesis of metallaboranes of groups 5-9. T. P. Fehlner 11:30—36. Organoborane dienophiles as 1-alkene equivalents, terpenylboranes, and catalytic hydroboration of dienes and enynes. M. Zaidlewicz

SUNDAY AFTERNOON Section A Convention Center Room 243 Frontiers in Organometallic Chemistry

R. A. Adams, Presiding 1:30—37. Catalytic alkyne hydrogénation and hydrosilation with mixed metal carbonyl cluster complexes. R. A. Adams, T. Barnard, B. Captain, W. Fu 2:00—38. Metal-metal-bonded compounds of palladium and platinum. D. M. P. Mingos 2:30—39. Synthesis and characterization of osmium(IV) dihydride complexes of stoichiometry [(C 5 M 5 )Os(PR3) 2 H2 + ]: X-ray crystal structures of (C5Me5)Os(dmpm)H and [(C 5 Me 5 )Os(dppm)H 2 ][BF 4 ]. C. L. Gross, J. M. Jefferis, G. S. Girolami 3:00—40. Developments in the chemistry of cyclobutadiene complexes: Novel dehydroannulenes. U. H. F. Bunz, G. Roidl 3:30—41. Organonickel chemistry in the catalytic dehalogenation of polychlorobiphenyls. R. B. King, C. M. King, Ν. Κ. Bhattacharyya, M. G. Newton 4:00—42. Divalent silicon species containing 8-amino-1-napthyl group: Amine-coordinated silylene vs. ammonium silaylide. K. Tamao, M. Asahara, T. Saeki, A. Kawachi, A. Toshimitsu 4:30—43. /V-Heterocyclic carbenes: Novel catalysts in C-C bond formation. T. Weskamp, W. A. Herrmann

Section Β Convention Center Room 242 A Environmental Aspects of Inorganic and Organometallic Chemistry: Tutorial

I. T. Horvath, Presiding 12:55—Introductory Remarks. C. P. Mehnert 44. Withdrawn. 1:00—46. Environmental inorganic chemistry on Earth: An introduction. E. I. Stiefel 47. Withdrawn. 2:00—48. Ε factors, atom efficiency, and ca talysis in organic synthesis. R. A. Sheldon 3:10—Intermission. C. P. Mehnert

Section A Marriott Exhibit Hall Poster Session

T. Bitterwolf, Organizer 7:00-9:00 Transition Metals

General Organometallic

Organic and Inorganic Synthesis via Boranes Cosponsored with Division of Organic Chemistry

SUNDAY EVENING

J. B. Keister, Presiding 1:20—50. Mechanistic studies of C,N-oxidative addition and C,N-reductive elimina tions at nickel centers. B. L. Lin, G. L. Hillhouse 1:40—51. Preparation of poly-1-hexene and polyethylene-co-1-hexene by [Cp*TiMe2]+ [MeB(C6F5)3]-. M. C. Baird, M. C. Murray 2:00—52. Synthesis and structural charac terization of cyclopentadienyliron- and cyclopentadienylmolybdenum-gallium com pounds. A. S. Borovik, S. G. Bott, A. R. Barron 2:20—53. Role of P-N ligands in the insertion reaction of CO alkenes into Pd-C bonds. S-T. Liu, K. R. Reddy, S-M. Peng, C-l. Chen 2:40—54. Organometallic complexes with polyhydroxy-9,10-anthracenedione ligands. J. B. Keister 3:00—55. Stoichiometric and catalytic B-C bond formation from unactivated hydrocar bons and boranes. M. R. Smith, C. N. Iverson 3:20—56. Reactions of allyl palladium com plexes with organic radicals. M. C. Baird, S. J. Reid 3:40—57. Mechanistic studies of palladiumcatalyzed carboxylative-coupling reactions of allyl stannanes and allyl halides. R. J. Franks, Κ. Μ. Nicholas 4:00—58. Selective olefin dimerization cata lyzed by organoyttrium and -lutetium com plexes. A. Z. Voskoboynikov 4:20—59. Unprecedented C - O - or C-CLbond cleavage of vinyl acetates or vinyl chloroformate by osmium- and rutheniumunsaturated compounds. G. Ferrando, J. N. Coalter III, G. J. Spivak, K. G. Caulton 4:40—60. Reversal of stability of hydride/ carbene vs. alkyl isomers on Ru by ancil lary ligand modification. K. G. Caulton, D. Huang, H. Gerard, W. E. Streib, V. G. Young Jr., O. Eisenstein 5:00—61. Synthetic approach to metal com plex intermediates possessing heavier pnicogenido ligands. B. P. Johnson, M. Schiffer, M. Scheer

Section D Convention Center Room 252 Organic and Inorganic Synthesis via Boranes Cosponsored with Division of Organic Chemistry

P. V. Ramachandran, Presiding 1:30—62. Organoboranes for organic syn theses: Recent advances in the syntheses of amines. H. C. Brown 2:00—63. Stereoselective rearrangements of organoboranes: A new method of cyclic and acyclic stereocontrol of adjacent car bon centers. P. Knochel, L. O. Bromm, A. Boudier, S. Leqoupy 2:30—64. Cross-coupling reactions of or ganoboron compounds with organic electrophiles. A. Suzuki 3:00—65. Mystery story of ligand transfer on boron. D. S. Matteson, W. C. Hiscox, L. Fabry-Asztalos 3:30—66. Selective polymeric organoborohydride agents: Synthesis and applica tions. K. Smith, G. A. El-Hiti, T. Takahashi, D. Hou 4:00—67. Enantioselective allylboration re action with diisopinocampheylborane re agents. P. K. Jadhav

68. Inclusion of 18-crown-6 within a yttrium capsule. H. R. Webb, M. J. Hardie, J. A. Johnson, C. L. Raston 69. Enantioselective epoxidation of transdisubstituted alkenes by 0 2 -symmetric chiral dioxoruthenium(VI) porphyrins. R. Zhang, W-Y. Yu, T-S. Lai, C-M. Che 70. Synthesis, characterization, and crystal structures of amido and p2-imido gold(l) complexes. H-Y. Chao, K-K. Cheung, S-M. Peng, C-M. Che 71. Photoluminescent transition-metal terpyridine complexes. S. D. Cummings, M. Cortes, K. E. Downey, S. E. Hobert 72. Reactivity of the Re2(lll,lll) core with sub stituted nitriles. J. L. Eglin, M. K. Graves 73. Hydrogen bonding and structural diversi ty in vanadium(V) complexes of ethanolamine and glycine-derived ligands: The phenol substituent. D. C. Crans, M. Mahrood-Tahir, S. K. Dutta, A. D. Keramidas, I. Boukhobza, O. P. Anderson, S. M. Miller 74. Bimetallic cyano-bridged Cu-M (M = Au, Pt) complexes. W. F. Yeung, I. P. Y. Shek, I. K. Chu, T. C. Lau, W. T. Wong 75. Bimetallic cyano-bridged Ni-M (M = Au, Ag, Zn, and Pt) complexes. I. P. Y. Shek, W. F. Yeung, I. K. Chu, T. C. Lau, W. T. Wong 76. Chemistry of copper(l) phenanthrolines supported on silica sol-gels. S. C. Bow man, S. P. Watton 77. Crystal structure and solid-state NMR ( 93 Nb MAS, 19 F MAS, 93 Nb frequency swept) of [NH 4 ]5[NbF 4 0][NbF 7 ] 2 . P. L. Bryant, K. Wu, Y. Lee, F. R. Fronczek, L. G. Butler 78. Reactivity of ditungsten tetraformamidinate complexes. J. L Eglin, L. T. Smith, M. Q. Dequeant 79. Reactions of Ru(typ)CI3 with annulated /V,/v,C-terdentates, 3,2'-polymethylene-6(2"-pyridyl)-2-phenylpyridines. Y. Jahng, J. G. Park, H. H. Kim 80. Selection of Schiff-base metal complexes from a dynamically generated combinato rial library. D. M. Epstein, A. B. Eliseev, M. R. Churchill, J. R. Morrow 81. Chiral ruthenium(ll) complexes of modi fied phenanthroline derivatives. O. Mor gan, W. D. Price, R. J. Morgan, S. Tysoe, T. C. Strekas, A. D. Baker 82. Synthesis of (Me3TACN)FeX2 complexes and a comparison of their reactivity toward CO (X = CI, I, CN, SPh). A. C. Moreland, T. B. Rauchfuss 83. Zinc complexes of two pyridine-containing triazamacrocycles: Equilibrium, X-ray structure, and ethanol amine coordi nation. S. Siltchenko, N. W. Alcock, S. Amslinger, D. H. Busch 84. Synthesis, characterization, and epoxida tion activity of a substituted iron cyclam complex. T. Bein, A. L. Pulvirenti, P. E. Fanwick 85. Withdrawn. 86. Synthesis, characterization, and reactivity of the first iridium 1,3,5-triaza-7-phosphadamantane (PTA) complexes. D. A. Krogstad, T. J. Terry, V. G. Young 87. Reaction between the (3,1) isomer of Ru2(F5ap)4CI and CN": Synthesis, struc tural determination, and electrochemistry of Ru2(F5ap)3[m-(o-NC)F4ap](m-CN) and two geometric isomers of Ru2(F5ap)4(mCN)2. E. Van Caemelbecke, T. D. Phan, B. Han, Y. Li, G. Royal, K. M. Kadish, J. L Bear


9 8 JULY 26, 1999 C&EN

88. Synthesis, structure, and physical proper ties of quaternary f-element selenophosphates Α„,ΜηΡΧ8β„ (A = K, Rb, Cs; M = 232Th 233pu) ρ tf B r i g g s ρ, ο ο ο Η > Κ D Abney, J. R. Schoonover, P. K. Dorhout 89. Chiral topoisomerism in rigid decametallic ruthenium dendrimer. M-J. Kim, M. E. Gimon-Kinsel, T. Dubois, N. Asgharian, F. M. MacDonnell 90. Novel dinuclear lanthanide(lll) com pounds from templated alkylation of polyamines. M. K. Thompson, I. A. Kahwa 91. Reactive dyes as a method for rapid screening of homogeneous catalysts. A. C. Cooper, L. H. McAlexander, D-H. Lee, M. T. Torres, R. H. Crabtree 92. Diametrically substituted calix[4]arene capable of binding metals fragments. D. R. Evans, M. Huang 93. Kinetics and mechanisms of redox reac tions of a c/s-dioxoruthenium(VI) complex. K. W. Yau, T. C. Lau 94. Unimolecular dissociation of the first sol vation shell of gas-phase ruthenium(ll) complex ions: An experimental and theo retical investigation. L. S. Nichols, M. Sena, D. Richardson, J. Eyler 95. Reactivity and stability of zeolite-based, non-precious-metal deNO x catalysts in simulated lean burn automobile exhaust. N. C. Clark, K. C. Ott, Μ. Τ. Paffett 96. Polyphenolate ligands: Synthesis and metal complexes. A. Kayal, A. F. Ducruet, S. C. Lee 97. Probing the host-guest chemistry of ration ally designed metal-ligand clusters. D. W. Johnson, M. Scherer, D. L. Caulder, K. N. Raymond 98. Light-harvesting arrays with sensitized MLCT emission. D. S. Tyson, F. N. Castellano 99. Bis(bipyridyl)(furildioxime)ruthenium(ll) as a model for proton-coupled electron transfer. E. T. Bell-Loncella, J. J. Morris 100. Functionalization of a tetraaza[14]annulene macrocycle. R. P. Hotz, C. Smith, E. Sinn, F. E. Sowrey, S. J. Teat, T. S. Billson, D. J. Staps 101. Structural effects of redox on tetrathiooxalate complexes and related novel bind ing modes. G. A. Holloway, T. B. Rauch fuss, K. K. Klausmeyer, S. R. Wilson 102. Quenching of Ru(bpy) 2 dpp 2 + by second- and third-row transition-metal chlorides. C. Hicks, H. Gafney 103. Properties of tris(2,2'-bipyridine) ruthenium(ll) on alumina and titania gel. G. Ye, D. Sunil, H. D. Gafney 104. Diastereo- and enantioselective cyclopropanation of alkenes catalyzed by ruthenium-Schiff-base complexes. S. T. Nguyen, W. Jin 105. Investigations into the vapochromic properties of bis(arylisocyanide)bis(cyanide) platinum(ll) compounds. C. E. Buss, K. R. Mann 106. Synthesis of polymer-clay materials as catalyst precursors using a microwaveheating technique. L. Xu, K. A. Carrado 107. Synthesis and characterization of saddle-shaped functionalized cyclidene platforms as potential molecular tweezers. J. S. Disch, A. M. Herrera, R. Wilson, E. Rybak-Akimova 108. Spectrophotometric study of 2-thenoyltrifluoroacetone and the interaction with lanthanoids(lll) in solutions. Y. Hasegawa, T. Umemura, T. Itoh, I. Matsubayashi 109. Hydroxy-salen complexes as sol-gel precursors. A. L. Vance, T. F. Baumann, G. A. Fox 110. Enantioselective-conjugate addition of diethylzinc to cyclic enones with chiral aryl diphosphite-copper catalysts. M. Yan, A. S. C. Chan 111. Synthesis and reactivity of transition metal-nitrido compounds. A. N. Nyabwari, D. S. Sanford, S. C. Sendlinger 112. Functionalized divergent receptor mole cules based on a nickel macrocycle. N. Malic, C. L. Raston 113. Synthesis and application of 6,6'dihydroxy-5,5'-biquinoline (BIQOL) in the asymmetric alkylation of aromatic alde hydes with diethylzinc. Y. Chen, A. S. C. Chan 114. Polymer pendant crown thioethers: Syn thesis, characterization, and Hg 2+ extrac tion studies of polymer-supported thiacrowns. T. F. Baumann, J. G. Reynolds, G. A. Fox

115. Ultrafast spectroscopy of iron(ll) polypyridyl complexes: Models for Ti0 2 -based solar cell sensitizers. J. E. Monat, J. K. McCusker 116. Synthesis and study of metal complexes containing benzoic acid-derived ligands. E. K. Haub, J. R. Hitchcock, J. D. Keeton, M. D. Shelton 117. Polyoxometalate derivatives bearing diazoalkane and related functionalities. E. A. Maatta, H. Kwen 118. Serendipity forms a new Ni 6 tiara cluster. T. S. Billson, M. J. Gowen, F. E. Sowrey, S. J. Teat, N. A. Young, E. Sinn 119. XAFs of Fe complexes displaying spin crossover behavior. E. Sinn, C. M. McGrath, J. W. M. Seddon, F. E. Sowrey, N. A. Young, C. J. O'Connor, C. Sangregorio 120. Three-coordinate copper and related chemistry. T. S. Billson, M. J. Gowen, C. M. McGrath, F. E. Sowrey, S. J. Teat, N. A. Young, E. Sinn 121. Transition metal complexes of dibenzofuran macrocycles. T. S. Billson, J. D. Crane, E. Sinn, S. J. Teat 122. Synthesis and characterization of a tetranuclear manganese-oxo complex via an intramolecular core rearrangement process. W. H. Armstrong, H. J . Mok 123. Synthesis of materials containing polyalkylferrocenium salts for use in the selective redox-recyclable extraction and recovery of aqueous anionic pollutants of concern. B. J. Clapsaddle, S. H. Strauss 124. Photophysical and electron photoinjection properties of ruthenium(ll) complexes containing bipyridine ligands with attached carboxyl groups. B. Z. Shan, S. Ferrere, D. P. Rillema 125. Synthesis and reaction chemistry of neutral and cationic zirconium complexes supported by chelating guanidinato ligands. A. P. Duncan, S. M. Mullins, J. Arnold, R. G. Bergman 126. X-ray crystallographic studies of model compounds of gold drugs. M. S. Hussain 127. Oxidation of phenol by singlet oxygen photosensitized by tris(2,2'-bipyridine) ruthenium(ll) ion. M. Z. Hoffman, C. Li 128. Vibrational spectra and structure of some novel dodecanuclear heterobimetallic interstitial clusters. Y. Zheng, R. Chen, P. Lin, X. Wu 129. Mono- and difunctional aromatic amines with p-alkoxy substituents as novel arylimido ligands for the hexamolybdate ion. R. A. Roesner, S. C. McGrath, J. T. Brockman, D. X. West, J. K. Swearingen, A. Castineiras 130. Design and synthesis of ruthenium complexes containing nitrile-thiol and nitriledisulfide ligands. A. R. Northrup 131. Redox-tunable ruthenium complexes containing pendant thiol or disulfide groups designed to form self-assembled monolayers on gold. J . M. Lehnes, K. A. Goldsby 132. Synthesis and characterization of ruthenium complexes containing polypeptide ligands with pendant thiol or disulfide groups. H. S. Hill, K. A. Goldsby, J. L. Skipper, S. M. Vrshek 133. Chiral salen vanadyl complex as an oxo-metal model relevant to chiral salen catalyst. S. Liang, X. R. Bu, D. Van Derveer, J. Lopez, E. Mintz 134. Synthesis and reactivity of new Mncarboxylate clusters: Selective exchange of chelating ligands. C. Canada, J. C. Huffmam, G. Christou

*


•

CATALYSIS

•


A


M • *


135. Synthesis and characterization of a new hexanuclear iron cluster containing the [Fe6(M3-0)2(M4-0)]12+CORE. E. J. Seddon, J. C. Huffman, G. Christou 136. New synthetic strategies for manganese carboxylate clusters: Structure and reactivity of a new [Mn 4 0 2 ] 8+ butterfly core. S. Bhaduri, G. Aromi, J. C. Huffman, G. Christou 137. Crystal structure and reactivity of the [Mn 4 03(0 2 CC 6 H5)4(dbm)3] and [Mn 4 0 3 (02CC6H4-p-Me)4(dbm)3] complexes. N. Aliaga, S. Wang, K. Folting, G. Christou Organometallic 138.Biomodal polyethylene (PE) by using a combination of Ziegler-Natta with different single-site catalyst. F. A. Lopez-Linares, H. Ortega, A. Diaz-Barrios, J. O. Matos, R. Tenia, P. Joskowicz, W. Mayz, G. Agrifoglio 139. Mechanistic investigations of the Pd(ll)catalyzed polymerization of olefins. R. L. Huff, D. J. Tempel, M. S. Brookhart 140. Density-functional study of polymerization processes catalyzed by Pd(ll)-based complexes. T. Ziegler, A. Mitchelak 141. Density-functional study on ion-pair formation in group 4 metallocenes and related olefin polymerization catalysts. T. Ziegler, M. Chan, K. Vanka, C. Pye 142. Breaking the Schulz-Flory barrier: Highly selective transition metal-catalyzed trimerization of ethylene to 1-hexene. S. B. Harkins, S. Murtuza, A. Sen 143. Preparation and chemistry of complexes containing thezirconium-pentaphenylcyclopentadienyl fragment. W. Tikkanen, T. A. Nguyen, E. Hsieh, D. L. Greene, O. A. Villalta, R. S. Gordon, B. Schick, K. Kantardjieff 144. Heteroaromatic-substituted indenyl complexes of zirconium. T. Dreier, G. Erker 145. Influence of substrate accessibility to a Ti(IV)-active site on the catalytic performance of titanosilsesquioxanes. M. C. Klunduk, J. M. Thomas, B. F. G. Johnson, T. Maschmeyer 146. Syntheses of tetrahydro- and dihydroindenyl ligands and their group 4 metallocenes. D. Huerlander, G. Erker 147. Speciation of some triphenyltins in the Potomac River. G. Eng, E. Biba, L. May 148. 2,2/-Bipyridyl complexes of ytterbocenes: Cp'2Ybn(bipy) or Cp' 2 Yb m (bipy)? M. Schultz, T. D. Tilley, J. M. Boncella, D. J. Berg, R. A. Andersen 149. Density-functional study of the activation of group 4 bis methyl metalloceneolefin polymerization precatalysts by Lewis acids. K. Vanka, M. Chan, C. Pye, T. Ziegler 150. Density-functional study of ethylene polymerization catalyzed by metal centers with one to three d-electrons. R. Schmid, L. Deng, T. Z. Ziegler 151. Photoinduced electron-transfer processes in a new noncovalent bond system. T. Arimura, Y. Suga, S. Ide, H. Sugihara, S. Murata 152. Synthesis and structural characterization of a ruthenium bisthietane complex. M. Draganjac, P. M. Nave, A. W. Cordes, T. M. Barclay 153. Alternating ethylene/propylene copolymerization: RFF molecular mechanics force field prognosticates effective zirconocene catalysts. 0 . G. Polyakov, A. K. Rappé 154. Effects of ligand modification on the activity of β-diiminate zinc complexes for the copolymerization of carbon dioxide and epoxides. M. Cheng, G. W. Coates 155. Copper-catalyzed cyclopropanation: A density-functional study. T. Rasmussen, P-O. Norrby, T. Ziegler 156. Theoretical study of Fe(ll)- and Co(ll)based olefin polymerization catalysts. L. Deng, P. Margl, T. Ziegler 157. Density-functional theory (DFT) study of dinuclear iron complexes that undergo multielectron redox reactions accompa nied by reversible structural change. M-H. Baik, T. Ziegler, C. K. Schauer 158. Double-CO-loss chemistry of [(η 5 C 5 Me 5 )Ru(CO) 2 ] 2 . B. E. Bursten, S. N. Collins 159. Metal-catalyzed aziridine synthesis. S. T. Nguyen, H-J. Jeon

160. Olefin polymerization catalysts incorpo rating 1- or 2-silylindene ligands: Crystal structure of bis[2-(dimethylsilyl)indenyl] zirconium dichloride. R. H. Heyn, R. Blom, C. H. Goerbitz 161. Synthesis, characterization, reactivity, and molecular structure of the d 2 -d 2 dimer [(RN)CIRe(p-NR)]2 (R=f-amyl, f-butyl). R. Toreki, T-G. Ong, B. Patrick 162. Preparation and reactivity of novel aminoboron compounds. S. A. Westcott, C. M. Vogels, M. P. Shaver, P. E. O'Connor, M. K. J. Gagnon, A. S. King, T. St. Germain 163. Cationic late metal complexes incorpo rating bis(arylamino)phosphenium ligands. M. B. Abrams, B. L. Scott, R. T. Baker 164. Molecular imprinting of transition metal catalysts. M. R. Gagné, Β. P. Santora, J. J. Becker, A. O. Larsen 165. Synthesis and polymerization activity of a neutral, tripodal, amide-based titanium alkyl compound. L. Jia, E. Ding 166. Synthesis and reactivity of new bis amido zirconium complexes. J. M. Blackwell, W. E. Piers 167. Synthesis and structural characteriza tion of novel mixed ς/π iridium-allyl com plexes. K. D. John, B. L. Scott, A. P. Sattelberger, R. T. Baker, K. V. Salazar 168. Full ab initio calculations on bis(imino)pyridine iron catalysts for ethylene po lymerization. E. A. H. Griffiths, G. J. P. Britovsek, V. C. Gibson, I. R. Gould 169. Influence of ligand substituents on polyethylenes generated by bis(imino)pyridyl iron catalysts. V. C. Gibson, S. Mastroian ni, S. J. McTavish, G. J. P. Britovsek 170. Synthesis and structural studies of plu tonium complexes containing nitrogen and sulfur donor ligands. J. H. Matonic, M. P. Neu, B. Scott 171. Kinetics and mechanism of oxidative addition of group 14 element hydrides to the unsaturated cluster H2Os3(CO)10. J. B. Keister, R. J. Hall, P. Serguievski 172. Synthesis and reactivity of Mo(IV) η imine complexes. J. M. Boncella, T. M. Cameron, R. T. Baker, B. L. Scott 173. Aluminum and gallium compounds of 1,3-diols: Examples of organometallic cryptans. C. N. McMahon, S. J. Obrey, S. G. Bott, A. R. Barron 174. Dimers of benzene and tropylium li gands: [K(C-222)] 2 [Cr(CO) 3 (M 2 -Ti 5 :Ti 4 C 7 H r C 6 H 6 )Mn(CO) 3 ]. N. J. Cooper, L. Shao, S. J. Geib 175. Developments in the synthesis of zwitterionic ethylene polymerization catalysts. G. K. Weakley, F. A. Shafiq, J. M. Boncel la, D. E. Richardson 176. Development and investigation of the electrochemical properties of anion-binding, pyrrole-substituted ferrocene systems. R. S. Zimmerman, J. L. Sessler, B. Andrioletti, A. Gebauer 177. New chelating ligands: Applications to hydrodenitrogenation catalysis. D. E. Wigley, J. W. Anthis, I. Filippov 178. Titanium subgroup ansa-metallocenes involving bis Cp ligands with methylidene bridge. V. V. Izmer, A. Y. Agarkov, A. Z. Voskoboynikov 179. Structures of mixed-metal complexes bridged by cyanide groups. D. J. Darensbourg, W-Z. Lee, M. J. Adams, D. L. Larkins, J. H. Reibenspies 180. Investigation into the chelation/dechelation of thiouracilate derivatives of tung sten^) carbonyl via CO loss and addition. D. J. Darensbourg, B. J. Frost 181. Long-term effects of triorganotins on Anopheles Stephens'! mosquito larvae. Q. Duong, N. Ogwuru, G. Eng 182. Reactions of cationic nickel(ll) complex es with ethylene and carbon monoxide. C. S. Shultz, M. Brookhart, J. M. DeSimone 183. Zirconocene-dichloride complexes of methyl-substituted tetrahydroindenes. T. A. Nile, C. L. Cullum, C. T. Walls, A. T. McPhail


184. Synthesis, reactivity, characterization of zirconocenes, and their precursors based around the Cp Pro (C5(C6H5)5) and Cp* (C 5 (CH 3 ) 5 ) ligands. O. A. Villalta, O. Aslanyan, N. Franco, T. Nguyen, E. Hsieh, W. Tikkanen 185. Synthesis and ring-opening metathesis polymerization of aryl-substituted ferrocenophanes. L. Shao, R. W. Heo, T. R. Lee 186. Tridentate metallocene complexes: Prep aration and reactivity of ansa-zirconocene complex with a linked amido ligand. T-F. Wang, Y-S. Wen, K-L. Chen 187. Environmental effects on the emission behavior of dimesitylplatinum(ll) diimine complexes. K. E. Dungey, B. Thompson, L. L. Wright, N. Kane-Maguire 188. Synthesis of an intermediate Pd com plex in the Stille coupling of allylic halides with aryl tin derivatives. A. C. Albéniz, P. Espinet, B. Martin-Ruiz 189. (Bis phenoxide)zinc phosphine catalysts for the copolymerization of polycarbonates from C 0 2 and epoxides and their cadmium analogs. D. J. Darensbourg, P. R. Rainey, M. S. Zimmer 190. Reactivity of Schiff-base aluminum complexes: Epoxide ring-opening catalysis. S. Nguyen, E. J. Campbell 191. Synthesis and reactivity of W(IV) olefin and arene complexes. R. C. Mills, S. Wang, K. Abboud, J. Boncella 192. Development and application of a novel dinuclear catalytic system. A. Cottone, M. J.Scott 193. C-H bond activation and formation by tris(pyrazolyl)borate platinum complexes. S. Reinartz, M. H. Prosenc, M. Brookhart, J. L. Templeton 194. Formation, characterization, and fluxional behavior of HB((Hpz+)pz2)PtMeCO. A. Haskel, E. Keinan 195. Formation and characterization of a stable dihydrido(alkyl)Pt(IV) complex using water as an oxidant. A. Haskel, E. Keinan 196. Divinyl telluride as ligands for transitionmetal complexes. K-H. Dahmen, V. Lyalikov 197. Dicarbonyl Tp' tungsten carbyne complexes. A. E. Enriquez, J. L. Templeton 198. Comparison of the catalytic properties of V(NR)CI3 [R= cym)RuCI2-PPh2-CH2C6H4CH2Ph2P BH3]. P. McQuade, N. P. Rath, L. Barton 224. Development of diimine and phosphinimine ligand systems. C. M. Ong, N. Etkin, D. W. Stephan 225. Cis and trans isomers of mixed chalcogen clusters, Cp2Mo2Fe2(p3S)(p3-£)(CO)8, (E=Se,Te): Synthesis and characteriza tion. S. Chatterjee, P. Mathur 226. Selectivity at Pt in molecularly imprinted polymers. N. M. Brunkan, M. R. Gagne 227. Density-functional study of electron structure and chemical behavior in doubly acetylide-bridged binuclear group 4 metellocene complexes. A. DerecskeiKovacs, S. Niu, M. B. Hall 228. Diphenylmethane formation during the generation of silylium cations with [CPh3] [1-R-CBnFn]. S. V. Ivanov, K. A. Solntsev, S. H. Strauss 633. Hybrid DFT/molecular mechanics study of Rh-catalyzed asymmetric enamide hy drogénation. C. R. Landis, S. H. Feldgus, P. Hilfenhaus 528. Preparation of heterometallic dinuclear metallocenes and investigation of their polymerization properties. S. K. Noh, J. Jung, D. H. Lee 30. Iridium-main group element interactions: Reaction of C p * ( P M e 3 ) l r M e 2 and Cp*(PMe 3 )lr(H) 2 with aluminum, boron, and magnesium compounds. J. T. Golden, R. A. Andersen, R. G. Bergman

MONDAY MORNING Section A Convention Center Room 243 • • Advances in Polymer Formation by Metallocene, Ziegler-Natta, and Related Chemistries Cosponsored with Division of Fluorine Chemistry

R. Jordan, Organizer 8:30—Introductory Remarks. R. F. Jordan 229. Withdrawn. 8:40—230. Diketiminate-chromium alkyls: Toward a homogeneous model system for the Phillips catalyst. K. H. Theopold, L. A. MacAdams, A. L. Rheingold

1 0 0 JULY 26, 1999 C&EN

9:10—231. Polymerization of ethylene with neutral, late-metal catalysts. R. H. Grubbs, E. F. Connor, D. Bansleben, C. Wang, S. Fredrich, T. R. Youngkin, R. T. Li 9:40—232. Ethylene-oligomerization/polymerization catalysts based on bis(imino) pyridyl complexes of the transition metals. V. C. Gibson 10:10—233. Polymerization of ethylene and norbomene catalyzed by diene complexes of niobium and tantalum. K. Mashima 10:40—234. Olefin polymerization by group 4 metal complexes that contain diamido/ donor ligands. R. R. Schrock, J. Goodman, L. Liang, Y. Schrodi 11:10—235. Controlling polymer microstructure through catalyst design. A. B. Ernst, E. J. Moore, R. W. Quan 11:40—236. Aluminum catalysts containing monoanionic bidentate ligands for ethylene polymerization. S. T. Nguyen, H. Zhou, C. X. Li

Section Β Convention Center Room 242 A Environmental Aspects of Inorganic and Organometallic Chemistry: Tutorial

R. A. Sheldon, Presiding 8:30—237. Heterogeneous reaction and mass accommodation of gaseous species on liquid surfaces. C. E. Kolb, D. R. Worsnop, J. T. Jayne, Q. Shi, J. Cheung, E. Swartz, J. Boniface, P. Davidovits 241. Withdrawn. 9:00—244. Processing of nanostructured materials for environmental catalysis. J. Y. Ying 9:30—242. Mesoporous solid acid catalysts and their use as green replacements for traditional reagents. J. H. Clark 10:00—243. Chemistry of molybdenum sul fide clusters. J. M. McConnachie, D. P. Leta, C. F. Pictroski, E. I. Stiefel, V-C. Arunasalam, R. W. Glyde 10:20—Intermission. C. P. Mehnert 10:40—240. Environmental aspects of HDS catalysis. H. Topsoe 11:10—238. New environmentally friendly separation science. D. O'Hare, A. Fogg, H. Harvey 11:40—239. Novel organic-templated zinc phosphate bulk phases and thin-film mem branes. Τ. Μ. Nenoff, A. V. Chavez, D. Trudell, M. L. F. Phillips, W. T. A. Harrison

Section C Convention Center Room 239 • Bioinspired Catalysis and Functional Modeling

S. Gorun, Organizer, Presiding 8:00—245. Template-directed molecular im printing. M. A. Markowitz, P. R. Kust, G. Deng, B. P. Gaber, J. S. Dordick, D. S. Clark 8:30—246. Outer-sphere approach to con trolling reaction selectivities. M. R. Gagné, Ν. Μ. Brunkan, J. J. Becker 9:00—247. Hydrolysis of nitriles at cobalt centers of model complexes that resemble the active sites of cobalt-containing nitrile hydratases. P. K. Mascharak, J. C. Noveron, M. M. Olmstead 9:30—248. On the reduction of nitrous oxide and related small molecules by lowcoordinate metal complexes. C. C. Cum mins, J-P. Cherry, D. Mindiola, S. Nolan, C. M. Haar, A. R. Johnson, C. Hoff, K. B. Capps, E. R. Akimova, S. V. Kryatov 10:00—249. Catalytic inspiration from molyb denum and tungsten enzymes. E. I. Stiefel 10:30—250. Tetranuclear manganese-oxo clusters as photosystem II mimics and "bioinspired" hydrogen peroxide dismutation catalysts. W. H. Armstrong, H. J. Mok, C. E. Dubé, S. Mukhopadhyay 11:00—251. Functional model for 0 - 0 bond formation by the oxygen-evolving complex in photosystem II. G. W. Brudvig, J. Limburg, J. S. Vrettos, M-N. Collomb, L. M. Liable-Sands, A. L. Rheingold, R. H. Crabtree 11:30—252. Structural and functional aspects of ion-mediated H 2 0 2 -dependent systems for the oxidation of hydrocarbons under GIF-like conditions: Evidence for the generation of alkyl radicals. S. Pericles, S. Kiani, A. Tapper


K. Wade, Presiding 8:30—253. Cyclic organohydroborate metallocene complexes. S. G. Shore, F-C. Liu, A. Rath 9:00—254. N- and B-metallated borazines: Will there be a renaissance in borazine chemistry? H. Noeth, B. Gemuend, A. Troll, S. Rojas-Lima 9:30—255. Boron in optically active heterocycles. R. Contreras, M. Tlahuextl, A. Flores-Parra 10:00—256. Reactions of metallaboranes: From cluster degradation to the formation of linked clusters. L. Barton 10:30—257. Organometallics derived from carboranes and boranes. N. S. Hosmane, S. Tomlinson, G. Johnson, C. Senese, C. Zheng, J-Q. Wang 11:00—258. Hydroboration and diboration of unsaturated compounds. W. Siebert, P. Greiwe, T. Deforth, A. Madema, M. Bluhm, A. Ziegler 11:30—259. Analogies between the chemical bonding in deltahedral boranes and planar aromatic hydrocarbons. R. B. King

MONDAY AFTERNOON Section A Convention Center Room 243 • • Advances in Polymer Synthesis by Metallocene, Ziegler-Natta, and Related Catalysts Cosponsored with Division of Fluorine Chemistry

Κ. Η. Theopold, Presiding 1:30—260. New Ziegler-Natta catalysts based on zirconium complexes of hetero cyclic boron compounds. A. J. Ashe, S. Al-Ahmad, X. Fang 2:00—261. Zirconium catalysts with Cp li gands ring-fused to pyrroles and thiophenes. J. A. Ewen, R. L. Jones, M. J. Elder 2:30—262. Stereo- and enantiocontrol in ole fin polymerizations with C2- Cr symmetric metallocene catalysts. J. E. Bercaw 3:00—263. New early transition metal alkyl and carbene complexes derived from deprotonated bis(iminophosphorano)methane ligands. R. G. Cavell, A. Kasani, R. P. Kamalesh Babu 3:30—264. Insertion copolymerization of ethylene/isbotuylene. T. D. Shaffer 4:00—265. Effects of hydrogen on and the role of titanium(lll) during alkene polymer ization by mono Cp* compounds of titani um. M. C. Baird, S. W. Ewart, E. F. Wil liams, M. A. Parent 4:30—266. α-Olefin production with bis(alkoxyboratabenzene) zirconium cata lysts. G. C. Bazan, J. Rogers

Section Β Convention Center Room 242 A Environmental Aspects of Inorganic and Organometallic Chemistry

J. H. Clark, Presiding 271. Withdrawn. 1:30—273. Precision catalysis by cationic palladium complexes. E. Drent 2:00—274. Modeling the hydrodesulfurization reaction at nickel: Unusual reactivity of dibenzothiophenes relative to thiophene and benzothiophene. W. D. Jones, D. A. Vicie


2:30—268. New waste-free Heck reaction as alternative to Friedel-Crafts chemistry. J. G. de Vries, M. S. Stephan 3:00—272. Green catalysis for ecologically responsible oxidation of organic sub strates and renewable resources. W. A. Herrmann, J. P. Zoller, R. W. Fischer 3:20—Intermission. C. P. Mehnert 3:40—269. Application of catalytic and green chemistries to environmental stewardship. M. A. Andrews 4:10—267. Design of environmentally benign oxidation catalysts. K. H. Theopold, C. Pariya, W. A. King, L. M. Liable-Sands, A. L. Rheingold 4:40—270. Aqueous chemistry of molybdocenes: Intra- and intermolecular H/D ex change via C-H activation. D. R. Tyler, C. Balzarek, L. Kuo

Section C Convention Center Room 239 • Bioinspired Catalysis and Functional Modeling

J. Caradonna, Organizer, Presiding 1:00—275. Influence that ligand constraints have on the reactivity of synthetic nitrile hydratase models. J. A. Kovacs, H. L. Jackson, D. Schweitzer, W. Taylor, J. Shearer 1:30—276. Rapid and selective catalytic oxy genations with metalloporphyrins. J. T. Groves 2:00—277. Functional models for mononu clear nonheme iron oxygenases. L. Que, E. L. Hegg, S. L. Lange, K. Chen 2:30—278. Heme-copper enzyme dioxygen reactivity models employing tethered por phyrins with tridentate or tetradentate che lates for copper. K. D. Karlin, R. A. Ghiladi, M-A. Kopf 3:00—279. Capturing the essence of a metalloenzyme in a functional model. T. D. P. Stack, Y. Wang, J. DuBois, R. J. M. Gebbink, B. Hedman, K. Hodgson 3:30—280. Bioinspired catalysis and func tional modeling: Examples from Cu chem istry. S. Gorun 4:00—281. Synthesis and reactivity of metalloprotein active-site model compounds with low-coordination numbers. W. B. Tolman, L. Que, P. L. Holland, J. R. Hagadorn, B. A. Jazdzewski, V. G. Young 4:30—282. Reductive cleavage of N-N and N=N substrates: Synthesis of Fe/N/S clus ters. S. C. Lee, A. K. Verma, Τ. Μ. Nazif 5:00—283. Analogs of binuclear copper pro teins as homogeneous asymmetric cata lysts. L. Cal, H. Mahmoud


C. Recatto, Presiding 1:30—284. Borane chemistries through sodi um borohydride. M. M. Cook, G. Windey, W. Verstraeten 2:00—285. Borane reagents for the pharma ceutical industry: CalSelect-reducing agents. J. Bruening, E. R. Burkhardt, D. F. Rouda, C. P. Sutton, J. A. Corella 2:30—286. Lithium aminoborohydrides: Re agents with multiple personalities. C. T. Goralski, B. Singaram, C. Collins, M. Lanz 3:00—287. Chemistry and applications of C-1 -bridged phosphorous boronates. M. Srebnik, I. Pergament, A. A. A. Quntar 3:30—288. New organic synthetic methods using the NaBHV^ system. M. Periasamy 4:00—289. Alkylborane as selectivereducing and hydroborating agents. J. S. Cha, J. M. Kim, O. O. Kwon 4:30—290. Oxazaborolidine-catalyzed re duction of functionalized ketones. Ν. Ν. Joshi

MONDAY EVENING

11:10—305. Splittable surfactants for indus trial applications. A. F. Joseph 11:40—304. Redox-recyclable extraction and recovery (R2ER) of ionic pollutants. S. H. Strauss

Convention Center Exhibit Hall A Sci-Mix

T. Bitterwolf, Organizer, Presiding 8:00-10:30 71, 89, 9 1 , 94, 97-98, 104, 106, 109, 114-115, 120, 124, 126, 142, 146, 147, 158, 165, 175, 192-193, 200-201, 207, 218. See previous listings. 378, 390, 392, 404, 410, 427, 437, 442-443, 449, 453-456, 458, 460, 467, 473-474, 477, 480, 484, 489. See subsequent listings.

TUESDAY MORNING Section A Convention Center Room 243 • • Advances in Polymer Synthesis by Metallocene, Ziegler-Natta, and Related Catalysts Cosponsored with Division of Fluorine Chemistry

G. Erker, Presiding 8:30—291. Variability and diversity in metallocenium catalysts and co-catalysts for olefin polymerization. T. J. Marks 9:00—292. New acids and oxidants with weakly coordinating carborane anions. C. A. Reed, K-C. Kim, R. D. Bolskar, D. Stasko 9:30—293. Reaction of tert-butylalumoxane with trimethylaluminum. A. R. Barron 10:00—294. Use of fluorocarborane superweak anions to study reactive cations. S. H. Strauss 10:30—295. New perfluoroaryl diboranes and diborates as olefin polymerization initiators. W. E. Piers, V. C. Williams, G. Irvine, S. Collins, C. Dai, Z. Li, W. Clegg, M. R. J. Elsegood 11:00—296. Ethylene polymerization using iminophosphonamide complexes of group 4. S. Collins, R. Vollmerhaus, P. Shao, R. Tomaszewski, N. J. Taylor 11:30—297. Olefin insertion reactions at single-component metallocene Ziegler catalysts. G. Erker, M. Dahlmann, R. Frôhlich

Section Β Convention Center Room 242 • Environmental Aspects of Inorganic and Organometallic Chemistry

W. D. Jones, Presiding 8:30—298. Catalysis in dense-phase fluids for environmentally benign chemical syn thesis. W. Tumas 9:00—299. Recycling of homogeneous cata lysts by fluorous-biphasic extraction. B-J. Deelman, B. Richter, G. van Koten 9:30—300. Enantioselective catalysis in su percritical carbon dioxide. W. Leitner 302. Withdrawn. 10:00—303. Use of ambient-temperature ionic liquids as reaction media for clean synthesis. J. D. Holbrey, D. Rooney, K. R. Seddon 10:20—Intermission. C. P. Mehnert 10:40—301. Development of partially fluorinated ligation for catalysis in nontraditional media. S. P. Nolan

*

• •


A


•

PETROCHEMICALS

•


Section C Convention Center Room 239 Manipulation of Air-Sensitive Compounds

Κ. Η. Whitmire, Organizer K. H. Whitmire, S. Ching, Presiding 8:30—Introductory Remarks. Κ. Η. Whitmire 306. Withdrawn. 8:45—307. Main group and transition metal: Molecular and solid-state chemistry. D. Shriver 9:05—308. Small-molecule activation on strong organometallic electrophiles. G. J. Kubas, J. Huhmann-Vincent, W. V. Konze, B. L. Scott 9:25—309. Platinum square heterocyclynes. C. A. Tessier, S. AI Qaisi, K. J. Galat, L. Liable-Sands, A. L. Rheingold, W. J. Youngs 9:45—310. Recent innovation in science in struction at the community college level. D. Lehman 10:05—311. Integrated optical biosensor: An ultrasensitive and specific biosensor in spired by nature. B. Swanson 10:25—312. Manipulation of air-sensitive nanocrystalline porous silicon: Applica tions in chemical and biological sensing. M. J. Sailor, K. Dancil, C. Gurtner, A. Wun, B. Collins 313. Withdrawn. 11:05—314. Electrochemical measurement of electron transfer in surfactant-modified clusters. D. H. Johnston, K. McClain, A. Ross 11:25—315. Organometallic self-assembled monolayers. Κ. Η. Whitmire, I. GuzmanJimenez, K. U. Vizzini, T. R. Lee

Section D Convention Center Room 252 General Organometallic

J. L. Kiplinger, Presiding 8:30—316. Facile water activation by iron/tin-, cobalt/tin-, and nickel/tin-organobimetallics: Synthetic and structural investigation of the first hydroxo-hydrido complexes of the iron metal triad. J. J. Schneider, N. Czap, J. Hagen, C. Kruger, S. A. Mason, R. Bau, J. Ensling, P. Gutlich 8:50—317. Physical organic approach to the preparation of stable cationic zirconium(IV) alkyl olefin complexes. J. L. Kipling er, J. S. Yeston, H. Yang, R. G. Bergman 9:10—318. Photochemical and thermal reac tivity of group 9 pinacolate complexes: C-C bond cleavage and insertion chemis try. A. W. Holland, D. S. Glueck, R. G. Bergman 9:30—319. Reactions of Cp*(PMe3)lrMeOTf with silanes: Evidence for silylene interme diates and the first lr(lll)TO lr(V) oxidative addition. S. R. Klei, T. D. Tilley, R. G. Berg man 9:50—320. Investigating the basicity of a late transition-metal parent amido complex, frans-(DMPE)2Ru(NH2)(H). J. R. Fulton, M. W. Bouwkamp, R. G. Bergman 321. Withdrawn. 10:30—322. Synthesis and chemistry of [Cp*(PMe3)RhR]+ (R = Me, H). F. L. Taw, M. S. Brookhart, R. G. Bergman 10:50—323. Selective synthesis of mixed bidentate Lewis acids: 1,1'- and 1,2-stannaboraferrocenes. F. Jakle, A. J. Lough, I. Manners 11:10—324. Dynamics of alkane s-complexes in C-H bond-activation reactions. W. D. Jones, T. O. Northcutt, D. D. Wick 11:30—325. Solid-state organometallic syn theses. L. Cheng, N. J. Coville 11:50—326. Synthesis and structures of the novel manganese(l) fullerene[60] com plexes, M[Mn(CO)4( r|2-C60)] (M = Na, PPN). M. C. Baird, D. M. Thompson, M. N. Bengough, G. D. Enright 12:10—327. Reductive cleavage of carbonoxygen triple bond and carbon-nitrogen tri ple bonds by W2(OR)6 complexes. M. H. Chisholm, K. C. Glasgow, M. C. Mitchell

Section C


Manipulation of Air-Sensitive Compounds

• • Advances in Polymer Synthesis by Metallocene, Ziegler-Natta, and Related Catalysts Cosponsored with Division of Fluorine Chemistry

P. J. Shapiro, Presiding 1:30—328. Chelated d° olefin complexes. R. F. Jordan, J. F. Carpentier, Z. Wu, C. W. Lee, J. N. Christopher, S. Stromberg, V. P. Maryin 2:00—329. New synthetic routes to decamethylaluminocenium salts and investiga tions into their reactivity. P. J. Shapiro, C. T. Burns 2:30—330. Phosphinimides as steric equiva lents to cyclopentadienyl ligands in ethyl ene polymerization catalyst design. D. W. Stephan 3:00—331. Polymerization catalysts beyond group-4 metallocenes. R. Schmid, L. Deng, P. Margl, T. Ziegler 3:30—332. Search for new and alternative catalysts for ethylene polymerization pro cesses: Theoretical studies. D. G. Musaev, R. D. J. Froese, D. V. Khoroshun, S. F. Vyboishchikov, K. Morokuma 4:00—333. d° Metal-alkyl-alkene complexes: Kinetics and thermodynamics of alkene complexation. C. P. Casey, J. J. Fisher, M. A. Fagan 4:30—334. New tools for new catalysts. A. K. Rappe, O. Polyakov

Section Β Convention Center Room 242 A Environmental Aspects of Inorganic and Organometallic Chemistry W. D. Jones, B. A. Moyer,


Presiding

1:00—344. Heterogeneous catalytic hydroformylation of hex-1-ene in supercritical carbon dioxide. D. J. Cole-Hamilton, M. F. Sellin 11:20—340. Synthesis and characterization of two new uranium phosphates. J. A. Danis, H. T. Hawkins, B. L. Scott, B. W. Eichhorn, W. H. Runde, D. K. Veirs 1:40—345. Water-soluble organometallic iridium hydride complexes: Developing compounds for acqueous catalysis. J. S. Merola, C. E. Peace, L. A. Huff, M. A. Huff 346. Withdrawn. 2:00—341. Beryllium extraction by watersoluble polymers. Q. T. H. Le, D. S. Ehler, N. N. Sauer 2:20—342. Remote activation of C-X bonds (X = S, N, O) in conjugated heterocyclics by coordination of manganese to an adja cent carbocyclic ring. D. A. Sweigart, P. T. Czech, E. J. Watson, X. Zhang, H. Li, K. L. Virkaitis, A. J. Nowak, K. Yu 2:40—336. Formation, mobilization, degra dation, and reactivity of environmentally important mercury(ll) thiolates. G. G. Hoff mann, I. Steinfatt 3:00—339. Tripodal aryloxide ligands: Selec tive recognition and sequestration of metal ions. M. J. Scott, M. B. Dinger 3:20—Intermission. 3:40—338. Discrete yttrium(lll) catalysts for the formation of polylactide, a biodegrad able polymer. W. B. Tolman, M. A. Hillmyer, K. B. Aubrecht, B. M. Chamberlain 4:00—337. Cocatalyzed air oxidations using (mes)3lr=0. J. Muldoon, S. N. Brown 4:20—335. Crystal chemistry of Fe-Si colloid al phases. E. Doelsch, J. Rose, A. Masion, J-Y. Bottera, W. Stone 4:40—343. Group 15 derivatives in the envi ronment: The cause of sudden infant death syndrome? W. R. Cullen, P. Andrewes, D. Glindemann, C. Lehr, E. Polishchuk 5:00—Concluding Remarks. I. T. Horvath

S. H. Strauss, M. J. Sailor, Presiding 1:30—347. Vibrational spectroscopy of the tetrahedral and pseudotetrahedral guests in the tetrahedral cavities generated in cristobalite-like framewords of cadmium cyanide and tetrahedral cyanometallates. T. Iwamoto, M. Kasai 1:50—348. Ionic conductivities of polysilaneand polysiloxane-based polymer electro lytes. L. J. Lyons, S. Malhotra, P. Chrisman, J. Wubben, R. Hooper, J. Koe, D. Moine, R. West 2:10—349. Electron transfer at conjugated polymer interfaces and new device con cepts. M. C. Lonergan, X. Zhou, B. L. Langsdorf, F. E. Jones 2:30—350. Linear organic polymer and co polymer chains interrupted by transition metal complexes. C. K. Schauer, J. A. Lanza 2:50—351. Supercritical carbon dioxide as a clean technology media for the production of performance materials. J. D. Wang, F. S. Mandel 3:10—352. New ammonia complexes of alu minum, gallium, and indium from supercrit ical ammonia. J. W. Kolis, D. R. Ketchum 3:30—353. Effects of cathode morphology and degree of crystallinity on battery per formance. K. Chen, A. M. Crespi, C. L. Schmidt, P. M. Skarstad 3:50—354. New synthetic routes to microporous manganese oxides. S. Ching, K. Krukowska 4:10—355. New ligands for the preparation of layered materials. C. C. Raymond, V. Krupka 4:30—356. Improved yields in naphtha re forming. P. L. Bogdan 4:50—357. Copper(l) di-, tri-, and tetracarbonyls. S. H. Strauss 5:10—358. Food additive approvals in 20 minutes. P. M. Kuznesof

Section D Convention Center Room 252 General Organometallic

T. J. Barbarich, Presiding 1:30—359. Molecular design of single-site metal alkoxide catalyst precursors for ringopening polymerization of cyclic ethers and esters. M. H. Chisholm, B. Antelmann, J. C. Huffman, S. S. Iyer, D. Navarro, W. Simonsick 1:50—360. 1,1- and 1,2-Disubstituted dimolybdenum compounds of formula Mo2X2(CH2SiMe3)4: A continuing investi gation of the pattern of substitution de pending upon the preparative route and the nature of X. M. H. Chisholm, D. R. Click 2:10—361. Photolytic instability of organo metallic group 13 chalcogenide cubanes: Applications toward solution nanoparticle growth. T. J. Barbarich, E. G. Gillian, A. R. Barron 2:30—362. Cyclopropenyl compounds of the group 14 elements. M. J. Fink, Z-Y. Hua, J. T. Mague 2:50—363. Synthesis and reaction chemistry of some platinasilanols. M. J. Fink, L. C. Baldwin, J. T. Mague 3:10—364. Theoretical, structural, and spec troscopic evidence for π-backbonding in rhodium(ll) carboxylates. D. G. Farrar, C. T. Eagle, C. U. Pfaff, A. L. Sargent, E. G. Jones, W. T. Pennington, R. D. Bailey 3:30—365. Organometallic transformations of Sm(lll) supported by polydentate macrocyclic ligands. T. Dubé, S. Gambarotta, G. Yap 3:50—366. Functionalized cyclopentadienyl and macrocyclic transition metal complexes. P. C. McGowan, S. Bradley, T. Podesta


JULY 26, 1999 C&EN

101

INOR/TECHNICAL PROGRAM

4:10—367. Structure and reaction of iron and ruthenium alkyl complexes. K. UmezawaVizzini, T. R. Lee 4:30—368. Unusual coupling constant J(195t-1H) and Pt-H-C interactions in new Schiff bases of ferrocenylcarbalimine platinum(ll) olefin complexes. I. M. Al-Najjar, A. M. Al-Abdulrahman, J. K. Al-Refai 4:50—369. Phosphines as coordinative protecting groups in the design of organometallic clay mimics. S. Lopez, G. Jarding, S. W. Keller

TUESDAY EVENING Section A Marriott Exhibit Hall Poster Session

T. Bitterwolf, Organizer 7:00-9:00 Bioinorganic 370. Peptides functionalized with 2,2':6',2"terpyridine metal complexes. E. C. Constable, S. Mundwiler 371. Substituent effects in nonplanar porphyrins. A. Ghosh, I. Halvorsen, H. J. Nilsen, E. Steene, N. Guo, M. Lin, K. Kadish 372. Quantum chemical studies of highvalent nickel(lll) porphyrins: Variations in electron distribution and macrocycle conformation. E. Gonzalez, T. Wondimagegn, I. Halvorsen, A. Ghosh 373. MacDonald "2+2" synthesis of a transdisubstituted tetraarylporphyrin in aqueous anionic surfactant. H. Ogura, M. D. Carducci, F. A. Walker 374. Artificial model system for nitric oxide synthase. T. Nakano, K. Tagata, Y. Mori, H. Kakuda 375. Design and synthesis of novel peptide conjugates containing functionalized phosphorus(lll) hydride-chelating groups. K. V. Katti, H. Gali 376. Lanthanide hydrolytic catalyst selecting anionic phosphate esters against phosphate triesters through an "on-off" equilibrium. J. W. Park, J. K. Ku 377. Structure and hydrolytic activity of a dinuclear Eu(lll) complex. J. W. Park, J. Chin 378. Effects of low-molecular-weight chromium-binding substance and a biomimetic in rats. J. B. Vincent, Y. Sun, K. Mallya, J. Ramirez 379. Binding of chromium to the bioactive oligopeptide low-molecular-weight chromiumbinding substance. J. B. Vincent, Y. Sun 380. Synthesis of novel platinated DNA binding agents. G. M. Arvanitis, B. V. Falcone 381. Mechanistic insights into the formation and reactivity of complexes with Fe202(H) diamond cores. S. V. Kryatov, P. W. Krieger, E. V. Rybak-Akimova 382. Peptide models for the study of the plastocyanin blue copper site. R. G. Daugherty, T. Wasowicz, V. J. DeRose 383. Effect of imidazole ring orientation on the contribution to the EPR hyperfine coupling constant of vanadyl complexes. V. L. Pecoraro, T. S. Smith II, C. A. Root, J. W. Kampf, P. G. Rasmussen 384. Halogenation and oxidation of alkanes using an iron(lll) trisimidazolylphosphine complex. W. E. Lynch, E. Flowers, C. Clarke, M. McCutchen, D. M. Kurtz, K. Hagen 385. Catalytic oxidation of biomolecules by peroxymonocarbonate. C. S. Regino, H. Yao, T. J. Mendez, D. E. Richardson 386. Investigation of transition metal ion bonding characteristics of monomeric DNA-bound Ru(ll) polypyridyl complexes. S. A. Tysoe, L. Massingham, E. Walters 387. Binding activity of adenosine derivatives with tin(IV) chloride. C. M. Mikulski, A. Patel 388. Hydrogen bonding within enterobactin analogs. C. G. Gutierrez, M. N. Tanji 389. Investigations into the mechanism of action of the radiation sensitizer gadoliniumOil) texaphyrin (PCI-0120) using pulse radiolysis as a model for radiation therapy. N. A. Tvermoes, J. L. Sessler, D. M. Guldi, T. D. Mody, D. J. Magda 390. Formation of a gold(l) cluster and disulfide from oxidation of the antiarthritic gold drug, Auranofin. M. R. M. Bruce, A. A. Mohamed, A. E. Bruce, D. T. Hill

1 0 2 JULY 26, 1999 C&EN

391. Cleavage of N-N bonds of hydrazines by iron(ll) thiolates: Syntheses of ironimido clusters. A. K. Verma, T. M. Nazif, S. C. Lee 392. Characterization of a mixed-valent Mn(IV) Mn(V) dimer. W-Y. Hsieh, V. L. Pecoraro 393. Adamantane-based ferric ion chelators. C. G. Guttierréz, H. M. Duong, G. S. Lee 394. Mechanism of 5'-cap and RNA hydrolysis by lanthanide(lll) complexes. O. Iranzo, D. Epstein, H. Khalili, W. D. Horrocks, B. F. Baker, J. R. Morrow 395. Interesting electrochemical behavior of copper-zinc superoxide dismutase on mercury electrode. Q-H. Luo, M-C. Shen, Z-L. Wang, W. Qian 396. Stability and coordination chemistry of main group and transition metal complexes of porphyrin isomers. C. J. Fowler, J. L. Sessler, E. Vogel 397. Synthesis and characterization of platinum-oligodeoxynucleotide conjugates. L. Cai, S. Ren 398. Synthesis and excited-state properties of ruthenium nucleosides. S. I. Khan, A. E. Beilstein, G. D. Smith, M. Sykora, M. W. Grinstaff 399. Automated solid-phase synthesis of oligonucleotides labeled with Ru(bpy)32+. X. Hu, M. W. Grinstaff 400. Automated solid-phase synthesis of 5'-terminal-labeled metallooligonucleotides. S. I. Khan, M. W. Grinstaff 401. Automated solid-phase synthesis and characterization of a /V-(2-oxoethyl)-9fluoreneone-4-carboxamide-modified oligonucleotide. M. T. Tierney, M. W. Grinstaff 402. Synthesis and electronic properties of a rhodium(lll)-labeled 2'-deoxyuridine. M. T. Tierney, M. W. Grinstaff 403. Redesigning metalloproteins. Y. Lu, X. Wang, J. A. Sigman, A. Gengenbach, S. M. Berry, P. J. Bruesehoff 404. Looking for the needles in a haystack: Spectroscopic characterization of the catalytic metal-binding site in a hammerhead ribozyme. Y. Lu, L. A. Cunningham, X. Wang, C. Pavot 405. Complexation of 5,5'-dinitro BAPTA with divalent cations. R. W. Taylor, L. Haley 406. Models of nonheme diiron enzymes stabilized by bulky carboxylate ligands. J. R. Hagadorn, L. Que, W. B. Tolman, I. Prisecaru, K. E. Kauffmann, E. Munck 407. Mononuclear Cu(l)-pnenoxide and -phenol complexes and their reactivity with dioxygen: Models for the reduced form of galactose oxidase. B. A. Jazdzewski, P. L. Holland, S. Kaderli, A. D. Zuberbuhler, W. B. Tolman 408. Enterobactin analogs based on the cholic acid backbone. W. D. J. Norbert, E. Sinn 409. Hormone-anchored metal compounds: Synthesis, structure, spectroscopy, and in vitro antitumor activity of 17-(3-hydroxyandrost-4-en-one acetate thiosemicarbazone and its metal complexes. A. Murugkar, B. Unnikrishnan, S. Padhye, R. Bhonde, S. J. Teat, E. Triantafillou, E. Sinn 410. How sweet it is: Novel anticancer sugar (and bile)-derivativized platinum complexes. W. D. J. Norbert, E. Sinn 411. Comparison of multidentate chelates of mercury(ll) by NMR and X-ray crystallography. D. C. Bebout, G. S. Murphy, R. J. Butcher, Μ. Ε. Kastner 412. Three-coordinate Cu(ll) complexes: Structural models of trigonal-planar type 1 copper protein-active sites. P. L. Holland, W. B. Tolman 413. Nucleotide sequence context effects on RNA transesterification by aqueous La(lll). T. A. Osiek, J. K. Bashkin 414. Transesterification and hydrolysis of RNA by uranyl ions. H. M. Bigott, J. K. Bashkin 415. Evaluation of the biological and cytotox ic properties of cis,cis-1,3,5- triaminocyclohexane Cu(ll) complexes. M. W. Brechbiel, K. A. Deal, W. Stein, B. Degraff, J. Mitchell, R. P. Planalp 416. Novel hydroxamate and nonoate iron porphyrins. L. Cheng, G. B. Richter-Addo

418. Synthesis and reactivity of 4-aryl-substituted (silylamino)phosphines, /V-silylphosphoranimines, and phosphazenes. R. H. Neilson, B. Wang 419. Preparation and in vivo stability evalua tion of linkers for 211At labeling of human ized antitac. M. W. Brechbiel, A. T. Yordanov, K. Garmestani, K. Phillips, B. Her ring, E. Horak, M. Beitzel, U. P. Schwarz, O. A. Gansow, T. A. Waldmann 420. Oxygen incorporation in mixed S-block macrocyclic amide-ring systems. B. A. Roberts, C. L. Raston, R. E. Mulvey, A. R. Kennedy, R. B. Rowlings 421. Syntheses, structures, and coordination chemistry of new phosphacarbaboranes. L. G. Sneddon, D. E. Kadlecek, A. M. Shedlow, S. O. Kang, P. J. Carroll 422. Reactivity of Me3M, [M = AI, Ga, and In], with benzylamine to form dimers, [Me2MN(H)CH2Ph]2, and hexameric cage structures, [MeMNCH2Ph]6. L. K. Krannich, C. H. Lake, E. K. Styron, C. L. Watkins, D. H. Powell 423. Whence the winning? Metal-catalyzed diboration of carbonyl compounds. R. T. Baker, R. D. Broene, J. M. Boncella, T. M. Cameron 424. Spectral properties of green fluorescent imidazolium cationic dyes in aqueous so lution. R. J. Morgan, J. Dillon, R. J. Dono van 425. Syntheses and structures of amido and azido gallane derivatives. W. L. Gladfelter, B. Luo, V. G. Young 426. Investigation and novel synthesis of lith ium dialkylaluminium amides. K. W. Hen derson, R. E. Mulvey, A. E. McKeown, F. E. Keenan, W. Clegg, A. R. Kennedy, S. T. Liddle 427. Mechanism of bicarbonate-catalyzed oxidation of sulfides by hydrogen perox ide. H. Yao, D. Bennett, K. Frank, C. Xu, D. Richardson 428. 13C-NMR studies of activation of hydro gen peroxide by bicarbonate. H. Yao, K. Frank, D. Bennett, D. Richardson 429. Synthesis and reactivity of /V-silylphosphoranimine precursors to new cyclic, spirocyclic, and polymeric phosphazenes. P. Wisian-Neilson, M. A. Farris, R-M. L. Mercado, C. Zhang 430. tert-Butyl compounds of aluminum: Co ordination compounds and alumoxanes. C. Branch, L. van Poppel, A. R. Barron 431. 1-Arsanaphthalene and 2-trimethylsilyl1-arsanaphthalene. A. J. Ashe, X. Fang, J. Kampf 432. Thermolysis of aluminum hydrazides: N-N bond cleavage and cage formation. J. Arnold, D. W. Peters, E. D. Bourret 433. Synthesis and structural characteriza tion of the germole and germaindenyl dianions. S-B. Choi, K. Qin, P. Boudjouk 434. Generation and characterization of a polymeric 7-atom cadmium(ll) cluster with a double betaine ligand. H. Wu, T. C. W. Mak 435. Synthesis and structure of a novel CD(II) complex with α-pyridinium dithioacetate betaine ligand: Cd(pdta)2CI2. H. Wu, T. C. W. Mak 436. Group transfer and dimerization pro cesses of C60(CN)2 in gaseous phase. L. Qi, Z. Y. Suo, X. W. Wei, Y. H. Mei, Z. Xu 437. Alkylations of the B-H bonds in C2B4carboranes. J-Q. Wang, J. A. Maguire, N. S. Hosmane 438. Anionic zirconocene trihydride [Cp*2ZrH3]-Li+: Recent advances in reac tivity with phosphines and chalcogenides. A. Hoskin, D. W. Stephan 439. New structural and NMR studies of the fluxional [Β^Η-ο] - anion. S. G. Shore, J. Krause-Bauer, A. Bridges, D. Dou, E. A. Meyers, E. Hamilton 440. Ab initio computational analysis of Wurster's azacrown ethers. J. W. Sibert IV, B. J. Mosley, C. A. Cheek, A. L. Sargent 441. New polymer precursors from polyhe dral oligosilsesquioxane (POSS) frame works. F. Nguyen, F. J. Feher

Main Group 417. Alkali metal self-assembled aggregates using nitrogen-containing functionalities. F. S. Mair, M. P. Lightfoot, R. G. Pritchard, W. I. Cross


442. Alternative path for the reduction of semiconductor global warming emmission gases by surface-wave plasma: Water as a source of radicals. B. Derecskei, B. A. Wofford, C. Hartz, J. W. Bevan Materials and Surface Chemistry 443. Synthesis, photophysics, photochemis try, and second harmonic-generation stud ies of surfactant rhenium(l) diimine com plexes. V. W-W. Yam, Y. Yang, K-Z. Wang, C-R. Wang, H-P. Yang, K-K. Cheung 444. Detection of nitrobenzene and 2,4dinitrotoluene in air using photolumines cence from a porous silicon chip. S. Con tent, W. C. Trogler, H. Sohn, M. J. Sailor 445. Transition metal-polythiophene hybrid materials: Electrocatalytic applications. R. P. Kingsborough, T. M. Swager 446. Synthesis, characterization, and ceram ic conversion of polyhexenyldecaborane: A new polymeric precursor to boron car bide. L. G. Sneddon, M. J. Pender 447. Application of carboxylate-alumoxanes as chemical infiltration and surface-repair agents. K. A. DeFriend, C. D. Jones, A. R. Barron 448. Synthesis, characterization, and ceram ic conversion reactions of pinacolboranemodified polyvinylsiloxane: A new poly meric precursor to boron-modified SiC. L. G. Sneddon, A. R. Brunner, K. Su, E. S. Moyer 449. Cu-Co heterogeneous thin films pre pared by chemical vapor deposition. I. S. Chuprakov, E. V. Filenova, K-H. Dahmen 450. Novel organic-inorganic quantum con finement structure (III) characterization of compounds with triamine salt. K. Teshima, M. Rikukawa, K. Sanui 451. Hectorite. J. Kim 452. Synthesis and thermoanalysis of novel bispyrazolylborate complexes and their application in MOCVD process. K-H. Dah men, E. V. Filenova, I. S. Chuprakov 453. Superior performance of a chiral cata lyst confined within mesoporous silica. S. A. Raynor, B. F. G. Johnson, D. S. Shephard, J. M. Thomas 454. Determination of metals by complex ation utilizing a functionalized optical waveguide sensor. E. S. Sutton, K-H. Dahmen 455. Multifaceted system for the production of nanoparticles. J. L. Guidry, K. Koetz, M. Li, J. Valentine, K-H. Dahmen 456. Titanium nitride as an anode material for organic light-emitting diodes. V- Adamovich, A. Shoustikov, M. E. Thompson 457. Preparation and characterization of a P^Ru^graphitic carbon nanofiber nanocomposite using a single-source molecular precursor. C. M. Lukehart, E. S. Steigerwalt 458. Synthesis and characterization of isolat ed Ni nanoparticles in MCM hosts. J. B. Wiley, J-S. Jung, S. H. Lee, Y-R. Kim, C. J. O'Connor 459. Rigidochromic effect of luminescent probes intercalated within zirconium phosphonates. J. L. Colon, G. A. Tejada, P. Y. Garcia, M. D. C. Correa, C. I. Maldonado 460. Sol-gel-processed organometallic/inorganic hybride materials for catalysis. H. A. Mayer, J. Buechele 461. Epitaxial growth of rare-earth oxide buff er layers on biaxially textured nickel(100) substrates by an all-solution route. J. S. Morrell, Z. B. Xue, D. B. Beach, T. G. Chirayil, M. Paranthaman 462. Crystallizing racemic mixtures in polar space groups: Lessons from studies of model epoxy resin systems. C. T. Vogelson, S. G. Bott, A. R. Barron

463. Polymorphous one-dimensional tetrapyridylporphyrin-coordination polymers structurally mimic aryl-stacking interac tions. R. D. Rogers, G. A. Broker, C. V. K. Sharma 464. p-Type substitution in transparent con ducting ln2_2XSnxZnx03_s. A. Ambrosini, M. Rocci, C. R. Kannewurf, K. R. Poeppelmeier 465. Polar transition metal oxide fluoride an ions in the solid state. A. J. Norquist, M. E. Welk, C. L. Stern, K. R. Poeppelmeier 466. Synthesis of compounds containing PtxMoy-core stoichiometries and the prep aration of carbon-supported metal alloy nanoparticles. C. M. Lukehart, K. C. Kwiatkowski 467. Sol-gel sorbents for cesium and stron tium. E. K. Myers, C. E. Barnes, S. Dai, Z. Xue 468. Convergent approach to the synthesis of novel thiophene-based pyridine-containing conducting polymers. K-H. Dahmen, I. V. Muravyov 469. Studies of strontium binding of phosphonate-functionalized sol-gels. J. W. Cla vier, C. E. Barnes, S. Dai, Z. Xue 470. Structure and properties of thin films of doped lanthanum manganates deposited on Si(100) by MOCVD. N. N. Mateeva, K-H. Dahmen 471. Metal oxide nanocrystals from reactions of metal halides and alkoxides. T. J. Trentler, T. E. Denier, V. L. Colvin 472. Withdrawn. 473. Automated solid-phase synthesis of metallodendrons. M. T. Tierney, B. L Ru bin, M. W. Grinstaff 474. On the second-order nonlinear optical structure-property relationships of metal chromophores. K. Base, M. T. Tierney, A. Fort, J. Muller, M. W. Grinstaff 475. Structure, properties, and stability of novel copper-rich oxides. D. A. Vander Griend, K. R. Poeppelmeier 476. Two novel manganese(ll)-pyrimidine co ordination polymers. J. M. Knaust, S. W. Keller 477. Nanoscale copper metal preparation: Chemical kinetics of the decomposition of model intermediate complexes. G. N. Glavee, A-M. L. Jackelen, N. M. Fox 478. Solid acid catalysts: Their preparation, characterization, and uses. J. H. Clark, D. J. Nightingale, K. Wilson 479. Low-dimensional quaternary chalcogenide compounds of Na 3 CuTiQ 4 and K2Cu2TiQ4 (Q = S, Se). Y. Park, H. Oh, H. Yun 480. New routes for CVD of copper metal. A. W. Maverick, H. Fan, M. S. BuFaroosha, Z. T. Cygan, A. M. James, F. R. Fronczek, G. L. Griffin 481. Role of ferrous iron in fouling of anion exchange resins. A. W. Apblett, M. Par tridge 482. Dimensional reduction: A predictive re action scheme for solid-state chemistry. E. G. Tulsky, J. R. Long 483. Electrochemiluminescence from TIO/ TI0 2 surfaces chemically modified with Ru(ll) diimine complexes. A-M. Ander son, R. Isovitch, S. Wadhwa, R. H. Schmehl 484. Metal-organic chemical vapor deposi tion of indium oxide and gallium sulfide films. S. Suh, D. Hoffman

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PETROCHEMICALS

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485. Synthesis, structure, and magnetic properties of [Mn(salen)H20]6Fe(CN)6. L. Qi, X. P. Shen, J. Z. Zou, H. M. Hu, X. Y. Huan, Z. Xu 486. Novel approach of crystal engineering: Synthesis of unusual 3-D porous frame work clathrate [Cu(en)2][KCr(CN)6] using [Cu(en)]2+ as a template and potassium ion as a joint. Z. Xu, X. P. Shen, B. L. Li, Z. G. Zha, C. Y. Duan, Y. J. Liu 487. Synthesis of polymeric metallophthalocyanines within MCM-41 molecular sieves. M. D. Greaves, K. J. Balkus Jr. 488. Pulsed-laser deposition of zeolite nax thin films. G. Gbery, K. J. Balkus Jr. 489. Preparation of novel zeolite beta films via laser ablation. S. E. Hogue, L. Washmon, K. J. Balkus Jr.

WEDNESDAY MORNING Section A Convention Center Room 243 Bioinorganic-Nonheme

C. G. Riordan, Presiding 8:30—490. Reactivity of a five-coordinate model for nitrile hydratase. J. A. Kovacs, W. D. Taylor 8:50—491. New borate-based ligands con taining nitrogen and sulfur donors for mod eling metalloprotein-active sites: Pyrazolyl[(methylthio)methyl]borates. C. G. Rior dan, S-J. Chiou, L. M. Liable-Sands, A. L. Rheingold 9:10—492. Effects of electromagnetism on the survival, mortality, and settling of ze bra mussels, Dreissena polymorpha. M. F. Ryan, C. C. Chancey 9:30—493. X-ray absorption spectroscopy of manganese model compounds with rele vance to the photosystem II oxygenevolving complex: Characterization of the Mn-CI interaction. S. A. Pizarro, C. Fer nandez, H. Visser, W. H. Armstrong, K. Wieghardt, J. J. Girerd, V. K. Yachandra, K. H. Sauer, M. P. Klein 9:50—494. Application of modern quantum chemical methods to dioxygen activation by multicopper oxidases and oxygenases and their inorganic mimics. A. Berces 10:10—495. Fe(lll) dissociation mechanisms for dihydroxamic acid siderophore com plexes. A. L Crumbliss, H. Boukhalfa, I. Spasojevic, R. D. Stevens 10:30—496. Synthesis and photophysical properties of Ru(bpy)32+-labeled oligonu cleotides. M. W. Grinstaff, S. I. Khan, A. E. Beilstein, X. Hu, M. T. Tierney, G. D. Smith, M. Sykora 10:50—497. Synthesis and coordination chemistry of lipophilic and oligomeric deriv atives of cyclam for use in cancer therapy/ diagnosis. J. W. Sibert, J. K. Sellers 498. Withdrawn. 11:30—499. Enzyme immobilization in mesoporous molecular sieves. C. M. Bambrough, L. Washmon, K. J. Balkus Jr.

Section Β Convention Center Room 242 Novel Materials

J. L. Atwood, Presiding 8:30—500. β-Substituted ethyl silsesquioxanes: New precursors for silica and modi fied silica films. K. A. Ezbiansky, D. H. Berry, B. Arkles, R. J. Composto 8:50—501. Networked lanthanide clusters sustained by amino acids. Z. Zheng, R. Wang, M. Carducci, C. Zheng 9:10—502. New "high Tc" molecule-based vanadium magnet. G. T. Yee, B. B. Kaul, J. P. Fitzgerald 9:30—503. Dialkyldicyanofumarate diesters: Tunable building blocks for moleculebased ferromagnets. G. T. Yee, B. B. Kaul, W. S. Durfee 9:50—504. Synthesis and investigation of the properties of platinum(ll)-linked poly mers. J. A. Lanza, K. Schauer 10:10—505. Difunctional main group and transition metal-phosphinidene complexes for synthesis of new materials. J. D. Protasiewicz, S. Shah 10:30—506. Controlling aromatic inclusion in one-dimensional coordination polymers. R. H. Groeneman, J. L. Atwood

10:50—507. Inorganic-organic epoxy resin materials using functionalized carboxylatealumoxanes as cross-linking agents. C. T. Vogelson, S. G. Bott, A. R. Barron

Section C Convention Center Room 239 General Transition Metal

J. G. Watkin, Presiding 8:30—508. Taking advantage of the Ag-0 supramolecular synthon: Reprise of an old coordination linkage. D. R. Whitcomb, R. D. Rogers 8:50—509. Steric control of the electronic ground state of six-coordinate copper(ll) complexes. M. A. Halcrow, J. M. Holland, Ν. Κ. Solanki 9:10—510. Preparation, characterization, and reaction of linearly aligned tetranuclear Pd-Mo-Mo-Pd supported by four 6-diphenylphosphino-2-pyridonate ligands. K. Mashima, A. Fukumoto, Y. Kaneda, K. Tani, H. Nakano, A. Nakamura 9:30—511. Neutral and anionic transitionmetal complexes supported by decafluorodiphenylamido ligands. J. G. Watkin, C. A. Hijar, B. L. Scott 9:50—512. Anion template effects in the selfassembly of pentadecanuclear lanthanidetyrosine complexes. Z. Zheng, R. Wang, M. Carducci 10:10—513. Preparation and characteriza tion of tetrakis(M-/v,/V-diarylformamidinato) dichlorodirhenium(lll,lll) compounds. J. L. Eglin, L. T. Smith, D. O. Wipf, C. Lin, T. Ren, R. J. Staples 10:30—514. Ligand-substitution chemistry of the early transition metal halide clusters [W6Cla(OS02CF3)6]2- and [Nb6CI12(OS02 CF 3 ) 6 r. C. S. Weinert, N. Prokopuk, D. F. Shriver 10:50—515. Cerium(IV)- and zirconium(IV)mediated hydrolysis of unactivated phosphonic acid esters. R. A. Moss, H. Morales-Rojas 11:10—516. Synthesis and chracterization of dicationic metal complexes of TACHPYR and TACH-6-MEPYR ligands derived from the c/s-1,3,5-triaminocyclohexane frame work. R. P. Planalp, G. Park, R. D. Rog ers, M. W. Brechbiel 11:30—517. Low-valent samarium complex es of di- and tetrapyrrole ligand systems: Tetrametallic reduction of dinitrogen. T. Dubé, S. Gambarotta, G. Yap 11:50—518. Reductive cleavage of dinitrogen utilizing a heterobimetallic system. D. J. Mindiola, C. C. Cummins 12:10—519. Rhenium carbonyl-promoted cleavage of C-S and C-H bonds in thiophenes and benzothiophenes: Organometallic modeling of the hydrodesulfurization process. M. A. Reynolds, L. A. Guzei, R. J. Angelici


9:50—524. Use of electrophile-functionalized metallocenes as precursors to unusual olefin polymerization-catalyst architectures. P. A. Deck, O. W. Lofthus, F. Cavadas, C. Slebodnick 10:10—525. Effects of pentafluorophenyl substituents on metallocene-catalyzed olefin polymerization reactions. P. A. Deck, M. P. Thornberry 10:30—526. Supported metallocenes for olefin polymerization. J. G. Matisons, L. G. Britcher, J. B. Rosenholm 10:50—527. Carbon-fluorine bond activation and C-C bond formation by zirconocene complexes. W. D. Jones, B. L. Edelbach Organic and Inorganic Synthesis via Boranes cosponsored with Division of Organic Chemistry (see page 103)

WEDNESDAY AFTERNOON Section A Convention Center Room 243 General Bioinorganic

M. A. Case, Presiding 1:30—529. Synthesis and properties of ferrocene-labeled oligodeoxynucleotides. A. E. Beilstein, M. W. Grinstaff 1:50—530. Studies of a platinated DNA hairpin. M. Meroueh, J. Kjellstrom, S. K. C. Elmroth, C. S. Chow 2:10—531. Optimization of ribozyme mimics. J. K. Bashkin, W. C. Putnam 2:30—532. Biomimetic catalysts for the oxidation of alcohols-to-carbonyl compounds by 0 2 . T. D. P. Stack, R. J. M. Klein Gebbink 2:50—533. Electron transfer in designed metalloproteins. M. A. Case, Y. Zheng, J. Zhou, G. L. McLendon 3:10—534. Electron transfer dynamics in exchange-coupled metal complexes. J. K. McCusker, D. E. Wheeler, B. T. Weldon, J. P. Kirby 3:30—535. Artificial metalloenzymes as asymmetric catalysts for epoxidation of unfunctionalized olefins. S. K. Ma, Y. Lu 3:50—536. Modeling the electronic spectra of prototype porphyrin-type molecules via combined density functional theory and configuration-interaction calculations. A. B. J. Parusel, A. Ghosh 4:10—537. Structure and photophysics of β-octafluoroporphyrins: Evidence for elec tronic control of porphyrin excited-state conformations. S. G. DiMagno, V. V. Smirnov, E. K. Woller, D. Tatman 4:30—538. Oxidation of benzylamines by the deuteroferriheme-hypochlorite-derived in termediate. R. E. Rodriguez, M. D. R. Cervantes Temelo, I. Martinez, E. Granado, K. Hernandez 4:50—539. Metal-catalyzed cycloaddition re actions with conjugated porphyrin tem plates. J. T. Fletcher, M. J. Therien 5:10—540. Electron transfer in stacked D-A porphyrin systems. N. P. Redmore, P. M. Lovine, M. A. Kellett, M. J. Therien

Section Β

Metallocene Catalysis

J. G. Matisons, Presiding 8:30—520. Zirconium bis(ketenimine) complexes: Synthesis, structure, and use in ethylene polymerization. S. Collins, R. Vollmerhaus, M. Rahim, S. Xin, N. J. Taylor 8:50—521. Cyclopentadienyl-substituent effects on the rates of chain-termination processes in metallocene-catalyzed olefin polymerization. P. J. Chirik, J. E. Bercaw 9:10—522. Olefin adducts of group 5 ansametallocenes as models for Ziegler-Natta polymerization. D. L. Zubris, P. J. Chirik, L. M. Henling, J. E. Bercaw 9:30—523. Isotactic polypropylene formation with CT-symmetric metallocene catalysts. S. A. Miller, J. E. Bercaw

Convention Center Room 242 Novel Materials

K. R. Dunbar, Presiding 1:30—541. Epitaxial growth of multicationic thin films on single-crystal substrates. D. B. Beach, J. S. Morrell, Z. B. Xue 1:50—542. Electronic interactions in deriva tives of 10- and 12-vertex c/oso-boranes. P. Kaszynski, J. E. Harvey, A. G. Doug lass, S. Pakhomov 2:10—543. Novel clusters and materials based on paramagnetic octahedral metal ions. K. R. Dunbar, P. S. Szalay, J. A. Smith 2:30—544. Development of new resorcinarenes with increased potential hydrogen bonding. K. N. Rose, M. J. Hardie, J. L. Atwood, C. L. Raston 2:50—545. Preparation of nanocrystalline quartz under hydrothermal conditions. J. Cizeron, V. Colvin


JULY 26, 1999 C&EN 1 0 3

INOR/MEDI/TECHNICAL PROGRAM

3:10—546. Carboxylate-alumoxanes: Envi ronmentally benign precursors for devel oping aluminum-based ceramic mem branes and filters. C. D. Jones, M. R. Wiesner, A. R. Barron 3:30—547. Manganese porphyrin containing zirconium phosphonate thin films: Struc ture and catalysis. C. M. Lee, L. Camus, F. Odobel, B. Bujoli, D. R. Talham 3:50—548. Novel class of solid-solution, in organic ion exchangers. M. Nyman, T. M. Nenoff, M. L. Balmer, Y. Su, A. Navrotsky, H. Xu 4:10—549. Synthesis of a new and novel class of zeolitic material using me· tellocenes as structure-directing agents. M. D. Greaves, C. Bambrough, S. I. Zones, K. J. Balkus Jr. 4:30—550. Zeolite synthesis via metallocene templating. C. M. Bambrough, M. D. Greaves, K. J. Balkus Jr. 4:50—551. Site-specific ligand substitution and NMR studies of [Mn 1 2 0 1 2 (0 2 CR) 1 6 (H 2 0) 4 ] complexes. P. Artus, J. Yoo, M. Nakano, W. E. Streib, D. N. Hendrickson, G. Christou 5:10—552. Two electron-reduction of [Mn 12 0 12 (0 2 CR) 16 (H 2 0) 4 ] complexes, synthesis characterization, and single-molecule magnetism properties of ( N P r n 4 ) 2 [Mn 1 2 0 1 2 (0 2 CR) 1 6 (H 2 0) 4 ]. M. Soler, J. Yoo, S. K. Chandra, D. Ruiz, K. Folting, W. E. Streib, D. N. Hendrickson, G. Chris tou


1:50—566. Soluble analogs of iodosylbenzene (Phl=0) and (tosyliminoiodo)benzene (Phl=NTs) for homogeneous cataly sis. J. D. Protasiewicz, D. Macikenas 2:10—567. Combination catalysts consisting of rhodium complexes tethered on Pd/ Si0 2 for the hydrogénation of arènes. R. J. Angelici, H. Gao, H. Yang, A. Perera 2:30—568. Rhodium(l) complexes with phosphorus ligands containing partially fluorinated "pigtails" as catalysts for hydrogénation and hydroboration of alkenes in supercritical carbon dioxide. R. T. Baker, C. A. G. Carter, W. Tumas, N. Josephsohn, C. M. Haar, D. Smith, S. P. Nolan 2:50—569. Single-step synthesis of adipic acid by catalytic oxidation of cyclohexane in air. C. Xu, J. Oyloe, D. E. Richardson 3:10—570. Effects of different activated carbon supports and oxidation treatments on the properties of Pt-based catalysts. A. E. Aksoylu, M. M. A. Freitas, J. L. Figueiredo 3:30—571. Pd/Cu-catalyzed oxidation of remote C-H bonds in functionalized organic molecules. A. Sen, C. Shen, E. Garcia 3:50—572. Catalytic production of imines through the dehydrogenation of secondary amines by a dihydrido iridium PCP pincer complex. D. Morales-Morales, W. Chen, C. M. Jensen 4:10—573. Mechanistic studies of the (salen)Mn(lll)-catalyzed epoxidation reaction: A computational approach. H. Jacobsen, L. Cavallo 4:30—574. Sequential insertion of CO and imines into palladium-alkyi bonds: A metal-catalyzed route to β-lactams. B. A. Arndtsen, R. D. Dghaym Organic and Inorganic Synthesis via Boranes cosponsored with Division of Organic Chemistry (see page 118)

General Transition Metal

D. L. Larkins, Presiding 1:30—553. Stepwise guest exchange from the cavity of a predesigned, self-as sembled homochiral [M 4 L 6 ] 12 " tetrahedral cluster. D. L. Caulder, T. N. Parac, K. N. Raymond 1:50—554. Spectral and thermal character ization of fibrillar cobalt(ll) hydrogen maleate halatopolymers and related polymers. M. S. Delaney, T. Waters, B. Sheko 2:10—555. Unusual transformations in diphosphine-bridged diruthenium(l) com plexes. K-B. Shiu, S-S. Young, S-l. Chen, J-Y. Chen, H-J. Wang 2:30—556. Convenient access to Re(ll) com pounds from reduction of Re(lll) chlorides by potassium graphite (KC8). K. R. Dun bar, M. E. Prater 2:50—557. Clusters and extended arrays with paramagnetic metal ions and nitrogen do nor ligands. K. R. Dunbar, C. S. Campos 3:10—558. Reductive cleavage and coupling of nitriles promoted by a novel molybde num hydride-imine complex. Y-C. Tsai, M. J. A. Johnson, C. C. Cummins 3:30—559. Synthesis and reactivity of dimetallic palladium(ll) methyl complexes with new functional phosphine ligands. J. S. Kim, A. Sen 3:50—560. Reductive trapping of dinitrogen by molybdenum tris anilide to form a dini trogen anion and chemistries thereof. J-P. F. Cherry, J. C. Peters, C. C. Cummins 4:10—561. Organometallic and coordination chemistry of orotic acid metal complexes. D. J. Darensbourg, D. L. Larkins 4:30—562. Oxime complexes of polypyridyl ruthenium: Models for proton-coupled electron transfer. E. T. Bell-Loncella, C. A. Bessel 563. Withdrawn. 5:10—564. Synthesis, structural, and physicochemical features of some Ni(ll) complex es with sulfur and nitrogen donors. E. Sinn, V. V. Pavlishchuk, A. W. Addison, R. J. Butcher, S. V. Kolotilov

Section D Convention Center Room 252 General Catalysis

B. A. Arndtsen, Presiding 1:30—565. New catalyst system for the syn thesis of linear α-olefins. C. Andes, L. Wojcinski, A. Sen

1 0 4 JULY 26, 1999 C&EN

THURSDAY MORNING Section A Convention Center Room R09 General Main Group

S. R. Foley, Presiding 8:00—575. Syntheses and characterization of structural isomers of terf-butyl/amylhyponitrites. J. A. Imonigie, D. S. Bohle 8:20—576. Tetrafluoro-o-phenylene back bone in aluminum-, indium-, and mercurybifunctional Lewis acids. F. P. Gabbai, M. Tschinkl 8:40—577. Reinvestigation of Traube's nitrosylation. N. Arulsamy, D. S. Bohle 9:00—578. Synthesis and reactivity of In diketiminate complexes. M. R. Smith, B. Qian 9:20—579. Group 14 amidinato complexes: Unusual chalcogenido species and cata lytic abilities. S. R. Foley, D. S. Richeson, G. P. A. Yap 9:40—580. Synthesis and reactivity of Si8O20(SnMe3)8. S. Saengkerdsub, C. E. Barnes, S. D. Waezsada 10:00—581. New dodecameric alkyllithium/ lithium alkoxide aggregate in the form of a cuboctahedron. R. D. Thomas, M. A. McAllister, H. Huang, X. Shangguan 10:20—582. 11 B- and^ 3 C-NMR study of the interaction of borates with mannose and galactose. M. Bishop, A. R. Barron

Section Β Convention Center Room 203 Novel Materials

O. R. Evans, Presiding 8:30—583. Preparation, characterization, and interesting properties of n-alkanethiolstabilized monometal and alloy clusters. F. P. Zamborini, R. W. Murray 8:50—584. Detection of H F by a porous sili con interferometer. S. E. Létant, H. Sohn, W. C. Trogler, M. J. Sailor 9:10—585. Semiconducting inorganic polymers via ring-opening polymerization of tin-bridged [1]ferrocenophanes. F. Jâkle, R. Rulkens, A. J. Lough, I. Manners 9:30—586. Control of supramolecular architectures in liquid-crystalline complexes of silver(l). D. W. Bruce, B. Donnio 9:50—587. Highly luminescent lanthanide coordination polymers. W. Lin, L. Ma, B. M. Foxman, O. R. Evans

10:10—588. Supramolecular engineering of chiral and acentric 2-D grids for NLO applications. W. Lin, O. R. Evans, Z. Wang 10:30—589. Preparation of polymer-modified mesoporous silica by sol-gel processing. M. L. Turner, K. Smith, A. B. Seddon, P. M. Chevalier, I. A. Mackinnon 10:50—590. Nonstoichiometric beryllium carbide. Y. Xie 591. Withdrawn.

Section C Convention Center Room 217 General Solid State

D. M. Smith, Presiding 8:30—592. Molecular structure of Al(acac)3/ Cr(acac)3 solid solutions: How well can partial occupancy of disordered metals be modeled from X-ray crystallography? S. G. Bott, B. D. Fahlman, A. R. Barron 8:50—593. Toward the construction of cation-anion networks within perovskite interlayers. J. B. Wiley, K. A. Thomas, J. N. Lalena, F-X. Augrain, C. Sangregario, E. E. Carpenter, W. Zhou, C. J. O'Connor, A. U. Falster, W. B. Simmons 9:10—594. Plutonium pyrochemical salts oxidation and distillation processing: Residue stabilization and fundamental studies. D. M. Smith, M. P. Neu, E. Garcia, V. R. Dole 9:30—595. Cu x UTe 3 (x = 0.25 and 0.33): Stabilization of UTe3 in the ZrSe3 structure type via copper insertion. R. Patschke, P. Brazis, C. R. Kannewurf, M. G. Kanatzidis 9:50—596. Magnetic properties of 8-8-20 mixed-metal oxides. G. L. Roberts, D. S. Dale 10:10—597. Template-directed synthesis of vanadium borophosphates. R. P. Bontchev, J. Do, A. J. Jacobson 10:30—598. 4749 Ti-NMR: Evolution of crystalline Ti0 2 from the gel state. T. J. Bestow, H. J. Whitfield 10:50—599. Novel antiferromagnetic behavior in single-crystal Co(SCN)2(CH3OH)2. G. C. DeFotis, R. B. Jeffers, B. T. Wimberly 11:10—600. Unusual magnetic properties of the mixed magnet Mn 1-X Ni x C 12 4H 2 0. G. C. DeFotis, J. A. Duling, C. S. Branch, J. S. Bergman, M. E. Cox, H. A. King, S. Lee 11:30—601. Synthesis and properties of multicomponent metal-silica xerogels. A. E. Stiegman, S. D. Callahan, A. S. Soult, M. D. Curran 11:50—602. Crystal engineering of diamondoid networks for nonlinear optical applications. O. R. Evans, Z. Wang, W. Lin

Section D Convention Center Room 215 General Catalysis

P. Hofmann, Presiding 8:30—603. New class of highly active ruthenium carbene complexes for olefin metathesis: Syntheses, structural, mechanistic, and theoretical aspects. P. Hofmann, S. M. Hansen, M. A. O. Volland, F. Rominger, M. Metz, F. Eisentrager 8:50—604. Chemistry of aluminum oxidefluoride systems as model for cocatalysts. H. W. Roesky 9:10—605. Decomposition of 2-propanol over OMS-2 catalysts with different metal cation dopants. X. Chen, Y-F. Shen, H. Zhou, S. L. Suib, C. L. O'Young 9:30—606. Immobilized recyclable catalyst for the highly selective hydroformylation. J. N. H. Reek, A. J. Sandee, L. A. van der Veen, P. C. J. Kamer, P. W. N. van Leeuwen 9:50—607. Oxidative dehydrogenation of ethylbenzene to styrene over manganese oxide octahedral molecular sieve (OMS) materials. H. Zhou, S. L. Suib, X. Chen, J. Y. Wang, J. Luo, G. G. Xia


10:10—608. Synthetic methods for the production of methyl alumoxane cocatalysts. S. J. Obrey, A. R. Barron 10:30—609. Chiral counteranions in enantioselective copper-catalyzed olefin aziridination: The importance of ion interactions in metal catalysis. B. A. Arndtsen, D. Llewellyn 10:50—610. Kinetic investigation of the ringopening metathesis polymerization (ROMP) of ionically functionalized cyclooctatetraenes. B. L. Langsdorf, X. Zhou, M. C. Lonergan 11:10—611. Synthesis of a palladium phosphite pincer complex: A highly active catalyst for Heck couplings of disubstituted alkenes. C. Grause, D. Morales Morales, C. M. Jensen 11:30—612. Phenyl backbone-derived P,0 and P,N ligands for palladium/ligandcatalyzed amination. X. Bei, A. S. Guram, H. W. Turner, W. H. Weinberg 11:50—613. Search for new metal-mediated, carbon-nitrogen, bond-forming reactions. R. K. Baldwin, F. J. Fehar

THURSDAY AFTERNOON Section A Convention Center Room R09 General Main Group

A. V. Korolev, Presiding 1:30—614. Synthesis and coordination chemistry of ?ΒυΑΙ0 3 Ρ(ρ^ 6 Η4θΝ)] 4 : A multidentate building block for the assembly of po rous phosphonate materials. M. R. Mason, R. M. Matthews, K. Kirschbaum 1:50—615. Synthesis, spectroscopic charac terization, and thermochemistry of main group pyruvic acid oxime salts. A. W. Apblett, A. Bagabas, Ε. Μ. Holt 2:10—616. Chelated cationic aluminum. D. A. Atwood, M. A. Munoz-Hernandez, S. Liu, B. Sannigrahi 2:30—617. Aluminum speciation in natural waters and its environmental ecological ef fects. B. Shuping 2:50—618. Reactivity of cationic aluminum compounds containing aminotroponiminate ligand toward unsaturated substrates. A. V. Korolev, I. A. Guzei, R. F. Jordan

Section Β Convention Center Room 203 OMCVD Materials and Surface Modification

R. E. Holmlin, Presiding 1:30—619. Benzylated precursors for lowtemperature organometallic chemical va por deposition (OMCVD) of antimony, bis muth, and their alloys. M. P. Remington, P. Boudjouk, D. G. Grier, G. J. McCarthy 1:50—620. Chemical vapor deposition of alu mina thin films utilizing novel methodolo gy. B. D. Fahlman, A. R. Barron 2:10—621. Does chemistry really matter in the chemical vapor deposition of titanium dioxide? W. L. Gladfelter, C. J. Taylor, D. C. Gilmer, D. G. Colombo, G. D. Wilk, S. A. Campbell, J. Roberts 2:30—622. Formation of a self-assembled monolayer of diaminododecane and a heteropolyacid monolayer on the ITO surface. S-H. Han, S-Y. Oh, Y-J. Yun, D-Y. Kim 2:50—623. Mono- and dinuclear bismuth and molybdenum aikoxides: CVD precursors and models for Sohio catalysis. T. A. Hanna, C. Ibarra 3:10—624. Oxidation and hydroxylation of ti tanium by oxygen and water molecules. G. Lu, S. L. Bernasek, J. Schwartz 3:30—625. Charge transport through organic self-assembled monolayers in metalinsulator-metal junctions. R. E. Holmlin, R. Haag, R. F. Ismagilov, A. E. Cohen, A. Terfort, M. A. Rampi, G. M. Whitesides

Section C Convention Center Room 217 Electrochemistry, Theory

Κ. Μ. Meyers, Presiding

4:40—643. New ferrocene-based ligands: Synthesis and reactivity. J. Arnold, A. Shafir, M. Power, G. Whitener 5:00—644. Wurster*s cryptands: A new class of redox-active macrobicyclic ligands. J. W. Sibert IV, X. B. Liu

SUNDAY AFTERNOON Section A Convention Center Room R09 • Combinatorial Chemistry Applications

1:30—•626. Electrogeneration and character ization of diruthenium compounds in lowoxidation states. K. M. Kadish, J. Shao, Z. Ou, G. Royal, J. L. Bear 1:50—627. Polyether hybrids of mixed-valent binuclear ruthenium compounds: Compar ing optical and thermal electron transfer in molten salts. J. E. Ritchie, R. W. Murray 2:10—628. Synthesis and properties of a new class of hybrid aminophthalocyanineconducting polymers. K. M. Meyers, R. P. Baldwin, R. M. Buchanan, P. W. Faguy 2:30—629. Preparation of new materials for secondary batteries. T. A. Hugener, F. Qalasso, S. L Suib, G. M. Ehriich, C. Durand 2:50—630. Ab initio Car-Parrinello molecular dynamics simulation of the phase diagram of H2S. R. Rousseau 3:10—631. Catalytic boration of ethylene by Rh(l) complexes: A density-functional study. C. Widauer, R. Schmid, H. Grutzmacher, T. Ziegler 3:30—632. Density-functional theory of ground and excited states of tris(2,2'bipyridine)iron(ll). J. H. Rodriguez, J. E. Monat, J. K. McCusker

J. Ellman, J. R. Falck, Organizers

MEDI DIVISION OF MEDICINAL CHEMISTRY A. Trainor, Program Chair

OTHER SYMPOSIA OF INTEREST: Legacy of Sir Derek Barton {see Division of Organic Chemistry, Sun, page 113)

1:00—10. Integration of combinatorial chem istry into the drug discovery process. S. W. Kaldor 1:45—11. Operations approach to combichem: Experiments in organization and technology transfer. D. A. Livingston 2:30—12. Discovery of novel modulators of the peroxisome proliferator-activated re ceptor γ using combinatorial chemistry. J. L. Collins, C. P. Holmes, S. G. Blanchard, J. E. Cobb, J. P. Cooper, D. M. Goreham, E. A. Hull-Ryde, S. A. Kliewer, J. M. Lehmann, J. M. Lenhard, A. B. Miller, C. P. Mohr, L. B. Moore, J. L. Oberfield, D. J. Parks, K. D. Plunket, E. Xu, M. V. Milburn, T. M. Willson 3:15—13. Synthetic design, diversity analy sis, quality assessment, and medicinal util ity of encoded combinatorial libraries. R. E. Dolle 4:00—14. Mixtures: If this is wrong, why does it work so well? K. Chapman

Section Β Arthur C. Cop· Award and Arthur C. Cope Scholar Award· {see Division of Organic Chemistry, Tue, page 116)

Convention Center Room R07-R08

Novel Ligands

SOCIAL EVENT: Poster Session, Social Hour, Sun

A. Trainor, Organizer, Presiding

J. Arnold, Presiding

BUSINESS MEETING: Sun


1:40—634. Diametrically substituted calixarenes with metal ligation properties. D. R. Evans, M. Huang 2:00—635. Phosphorus-chiral analogs of 1,1 '-bis(diphenylphosphino)ferrocene: Asymmetric synthesis and catalysis. U. Nettekoven, P. C. J. Kamer, P. W. N. van Leeuwen, M. Widhalm 2:20—636. Preparation, characterization, and selected reactivity of tantalum- and niobium-linked aryloxide complexes. B. W. F. Gordon, M. J. Scott 2:40—637. Novel 2,2',2/,-triphenoxymethane sodium salt for selective binding of sub strates. M. B. Dinger, M. J. Scott 3:00—638. Molybdenum and zirconium com plexes containing a novel planar chiral cyclopentadienyl nitrogen ligand and their re activity toward organic substrates. S. N. Paisner, G. G. Lavoie, R. G. Bergman 3:20—639. Synthesis and coordination chem istry of polyphenolate ligands. S. C. Lee, A. Kayal, A. F. Ducruet 3:40—640. Molecules and extended arrays with redox-active ligands based on tetrathiafulvalene. K. R. Dunbar, B. W. Smucker 4:00—641. New boratabenzene catalysts via intramolecular nucleophilic substitution. J. S. Rogers, M. A. Putzer, G. C. Bazan 4:20—642. Monoanionic porphyrin ligands: Synthesis and properties. J. Arnold, A. Gebauer

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PETROCHEMICALS

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SUNDAY MORNING Convention Center Room R07-R08 General

A. Trainor, Organizer 9:00—1. Automated chromatography and its application to the solution-phase combina torial synthesis of selective dopamine D4 ligands. J. P. Williams, K. Lavrador 9:20—2. Software for interpreting large sets of screening data. P. E. Blower Jr., W. P. Johnson, G. J. Myatt 9:40—3. Novel chemistry for parallel synthe sis of microarrays of oligonucleotides and peptides using photogenerated acids. X. Gao, E. M. LeProust, J. P. Pellois, P. Yu, H. Zhang, W. Wang, X. Zhou 10:00—4. Practical aspects for the develop ment of silica-based reversed-phase ana lytical methods for small molecules and polypeptides. M. K. Li, P. Kostel 10:20—5. Novel indole-based peptidomimetics as potent thrombin receptor (PAR-1) antagonists. H-C. Zhang, W. J. Hoekstra, B. E. Maryanoff, D. F. McComsey, B. L. Poulter, Κ. Β. White, M. F. Addo, P. Andrade-Gordon, C. K. Derian, D. Oksenberg, E. E. Reynolds, R. M. Scarborough 10:40—6. Synthesis of potent nonsteroidal tricyclic type 1 specific 5ota-reductase in hibitors. D. W. Graham, D. Von Langen, S. Aster, D. Shih, G. A. Doss, R. L. Ball 11:00—7. Synthesis of high specific activity 3 H-labeled nucleosides and nucleotides. M. Saljoughian, H. Morimoto, P. G. Williams 11:20—8. Structure-activity relationships of L-dioxolane uracil nucleosides against varicella zoster virus. Y. Choi, L. Li, Y. C. Cheng, C. K. Chu 11:40—9. Structure-activity relationships of 2'-fluoro-2',3'-unsaturated D-nucleosides as anti-HIV agents. K. Lee, Y. Choi, R. F. Schinazi, C. K. Chu

General 1:30—15. Establishment and validation of an isolated rat lung model for pulmonary me tabolism studies. D. G. Baker, B. R. Toth, M. E. P. Goad, S. A. Barker, J. C. Means 1:50—16. Catalytic antibodies: Evaluation of the reactive immunization and transitionstate stabilization hapten manifolds. P. Wentworth Jr., A. D. Wentworth, K. D. Janda 2:10—17. Design and SAR of novel potassi um channel openers targeted for urge uri nary incontinence. M. M. Antane, S. A. Antane, T. M. Argentieri, J. A. Butera, G. P. Francisco, C. Freeden, A. M. Gilbert, R. F. Graceffa, E. G. Gundersen, D. R. Herbst, B. H. Hirth, D. M. Ho, D. Jenkins, J. R. Lennox, E. Matelan, G. R. McFarlane, N. W. Norton, G. Oshiro, J. L. Primeau, D. A. Quagliato, J. H. Sheldon, W. Spinelli, D. Warga, A. Wojdan, M. Woods 2:30—18. Synthesis of AlB-containing peptidomimetics as potential inhibitors of Alz heimer's γ-secretase. J-Y. Tsai, T. S. Diehl, T. Rahmati, W. Xia, D. J. Selkoe, M. S. Wolfe 2:50—19. Orally bioavailable inhibitors of the cysteine protease cathepsin K. R. W. Mar quis, Y. Ru, K. F. Erhardt, A. D. Gribble, J. Witherington, A. Fenwick, B. Gamier, J. Bradbeer, M. Lark, M. Gowen, T. A. Tomaszek, D. G. Tew, B. Zhao, W. W. Smith, C. A. Janson, K. J. D'Alessio, M. S. McQueney, S. S. Abdel-Meguid, K. L. Salyers, B. R. Smith, M. A. Levy, D. F. Veber 3:10—20. Crystal structures of human factor Xa complexed with potent inhibitors. S. Maignan, J-P. Guilloteau, V. Mikol, Y. M. Choi-Sledeski, M. R. Becker, S. I. Klein, W. R. Ewing, H. W. Pauls, A. P. Spada 3:30—21. Bioactive conformation of human parathyroid hormone 1-31: Insights gained by conformational constraint. S. M. Con don, S. Darnbrough, C. J . Burns, I. Morize, R. Labaudiniere 3:50—22. Design, synthesis, and SAR of the first highly potent, selective, and cellpenetrable adenosine 5'-monophosphate deaminase inhibitors. S. R. Kasibhatla, B. C. Bookser, G. Probst, W. Xiao, J. R. Appleman, M. D. Erion 4:10—23. Design novel hybrid α-MSH ana logs. V. J. Hruby, G. Han, M. J. Quillan


4:30—24. Design and synthesis of human Τ cell Kv1.3 potassium channel blockers. A. Lew, A. R. Chamberlin 4:50—25. Use of 3-D growth to develop tis suelike spheroids and bilayers as prostate cancer cell models. R. Enmon Jr., K. O'Connor, D. Lacks, D. Schwartz, S. Clejan

SUNDAY EVENING Marriott Acadia 7:00-Division Business Meeting. Poster Session General

A. Trainor, Organizer 7:30-10:00 26. Indole and indazole as neutral S1 binding elements in the design of potent inhibitors of human factor Xa. M. R. Wiley, J. A. Kyle, T. J. Craft, J. B. Franciskovich, L. L Froelich, D. S. Gifford-Moore, T. Goodson Jr., N. G. Halligan, D. K. Herron, V. J. Klimkowski, J. J. Masters, J. T. Metz, A. M. Ratz, G. F. Smith, A. L. Tebbe, J. M. Tinsley, R. D. Towner, L C. Weir, Y. K. Yee 27. Application of the Suzuki coupling reaction to the solid-phase synthesis of biarylamidines. N. L. Subasinghe, J. Hoffman 28. Design of inhibitors of factor Xa contain ing amino-quinazoline and amino-thienopyrimidine groups as benzamidine re placements. W. R. Ewing, M. R. Becker, A. Li, J. Z. Jiang, R. S. Davis, Y. M. ChoiSledeski, H. W. Pauls, A. Parameswaran, A. P. Spada, V. Chu, D. J. Colussi, K. D. Brown, R. J. Leadley 29. Structure-activity of N2-aroyl anthranilamide inhibitors of human factor Xa. Y. K. Yee, A. L. Tebbe, J. H. Linebarger, D. W. Beight, T. J. Craft, D. Gifford-Moore, T. Goodson Jr., D. K. Herron, V. J . Klimkowski, J. A. Kyle, J. S. Sawyer, G. F. Smith, J. M. Tinsley, R. D. Towner, L. C. Weir, M. R. Wiley 30. Design, synthesis, and biological evalua tion of potent and selective amidino bicyclic FXa inhibitors. Q. Han, C. Dominguez, P. F. W. Stutten, D. E. Duffy, J. M. Park, R. A. Galemmo, K. A. Rossi, R. A. Alex ander, P. C. Wong, R. M. Knabb, R. R. Wexler 31. Exploratory solid-phase synthesis of nov el factor Xa inhibitors: P1-Argininal deriva tives featuring a P3-heterocyclic amide moiety. J. Z. Ho, T. S. Gibson, Ο. Ε. Levy, K. Nguyen, J. E. Semple 32. Structure-activity relationships of β-amino ester derived factor Xa inhibitors. M. Czekaj, S. I. Klein, C. J. Gardner, K. R. Guertin, A. L. Zulli, H. Pauls, A. P. Spada, V. Chu, Κ. Brown, D. Colussi, R. J. Leadley, C. T. Dunwiddie, S. R. Morgan, C. L. Heran, M. H. Perrone, S. Maignan, J. P. Guilloteau 33. Azaindole pyrrolidinone inhibitors of fac tor Xa: SAR, synthesis, and X-ray crystal structure of a novel surrogate for basic P1 moieties. M. R. Becker, Y. M. ChoiSledeski, H. W. Pauls, Y. Gong, W. R. Ew ing, R. S. Davis, V. Chu, Κ. Brown, D. Co lussi, R. J. Leadley, R. Bentley, C. J. Kasiewski, S. R. Morgan, V. Mikol, S. Maignan, J. P. Guilloteau 34. Synthesis and SAR of novel antifibrillatory benzenesulfonylureas as selective blockers of cardiac K(ATP)-channels. H. Englert, U. Gerlach, H. Gôgelein, J. Hartung, H. Heitsch, D. Mania, S. Scheidler 35. Benzylamino analogs of 1,2-diaminocyclobutene-3,4-dione as novel KATPchannel openers targeted for treatment of urge urinary incontinence. G. R. McFarlane, E. G. Gundersen, H. Elokdah, D. R. Herbst, M. M. Antane, B. H. Hirth, J. A. Butera, R. F. Graceffa, D. A. Quagliato, E. Matelan, A. M. Gilbert, G. P. Francisco, T. Argentieri, N. W. Norton, D. M. Warga, J. Sheldon, A. Wojdan, C. Freeden, M. Woods 36. Hydrogen bonding properties of the ω side chain of TXA2 antagonists in the bind ing domain of the TXA2 receptor. G. P. Meier, D. M. Taylor, P. V. Halushka 37. Synthesis and evaluation of novel nonpeptide thrombin inhibitors containing nonnatural analogs of arginine and lysine. K. P. Kokko, T. A. Dix

JULY 26, 1999 C&EN

105

MEDI/TECHNICAL PROGRAM

38. Syntheses and biological activity of ad vanced second-generation taxoids. T. Wang, M. Miller, C. Borella, S. Lin, X. Geng, P. Pera, R. J. Bernacki, I. Ojima 39. Syntheses and biological activity of C3'difluoromethyl taxoids. S. Lin, T. Wang, J. C. Slater, P. Pera, R. J. Bernacki, C. Ferlini, G. Scambia, I. Ojima 40. Design and synthesis of a novel photoaffinity taxoid as probe for the study of paclitaxel-microtubules interactions. S. Lin, K. Fang, M. Hashimoto, K. Nakanishi, I. Ojima 41. Thermal degradation products from Taxus x. media Hicksii. X-J. Tong, F-Y. Lee, C-J. Chang 42. Design, synthesis, and molecular model ing of novel probes for the estrogen recep tor. C. J. Friel, R. N. Hanson, E. R. DeSombre 43. Synthesis and SAR of novel dihydroanthracene derivatives as retinoid analogs. A. Marinier, A. Ericsson, P. Lapointe, S. Roy, M. Proulx, A. Martel, F. C. Zusi, J. Starrett, J. J. K. Wright, J. Lupisella, J. Honeyman, P. Reczek 44. Synthesis and breast cancer chemoprevention for UAB30 and analogs, receptorselective retinoids. K. K. Vines, W. J. Brouillette, D. D. Muccio, C. J. Grubbs 45. Synthesis and biological activity of conformationally defined retinoic acid analogs. V. R. Atigadda, W. J. Brouillette, D. D. Muccio 46. Titanium(IV) complex with diketonate ligands: Application and effect as antitumoral drug. R. H. Sartori, S. Diez, E. Navarrete, R. Sariego, S. A. Moya, F. Carusso, S. Rodriguez 47. Design, synthesis, and cytotoxicity of novel angular pyranoquinolin-2-ones as antitumor agents. Z-Y. Yang, Y. Xia, P. Xia, Y. Tachibana, K. Bastow, K-H. Lee 48. Modeling the impact on ligand binding of site-directed mutations in the C1b domain of PKC-δ. A. L. Parrill, J. Deng, J. B. Roaten, T. Sweatman 49. Palladium-catalyzed aryl cyanations in radiosynthesis: Synthesis of 14C-labeled fadrozole, a potent aromatase inhibitor. A. J. Allentoff, B. Markus, A. Wu, L. Jones, G. Ciszewska, T. Duelfer 50. Expeditious one-pot synthesis of hydrofluorene derivatives. B. K. Banik, C. Mukhopadhyay, F. F. Becker 51. Identification of glycinamide as the com ponent responsible for the effects of TyrMIF (Tyr-Pro-Leu-Gly-NH2) on the expan sion of hematopoietic cells. J. L. Burgess, J. F. Callahan, L. Chen, D. Horowitz, A. King, L. Pelus, P. K. Bhatnagar 52. Studies on the synthesis of tetrazine de rivatives and their activities. W. Hu, M. Zhou, Z. Cai, Z. Yang 53. Syntheses of phenylethyl-linked porphyrin-acceptors for PDT. H. Yao, M. R. Detty 54. Conformational features that distinguish ceramide from its analogs. L. Li, X. Tang, K. G. Taylor, D. Borchman, D. B. DuPré, M. C. Yappert 55. Studies on the synthesis of thiosemicabazones and their anticancer activity. W. Hu, N. Sun, Z. Yang 56. Studies toward the synthesis of pyrimidodiazepine-based tetrahydrofolic acid derivatives as potential antitumor agents. B. Ayida, P. S. Day 57. Monocyclic azetidinones as potent and selective inhibitors of prostate-specific antigen (PSA). J. R. Rizzo, G. Becker, L. D. Hatfield, A. McNulty, B. Neubauer 58. Discovery of TR-9109: A novel small molecule inhibitor of α4β1 integrin mediated cell adhesion. B. R. Teegarden, G. M. Rishton, M. Yamagishi, H. Jayakumar, T. J. Lobl, P. M. Cardarelli, F. S. Gorcsan, M. A. Castro, B. R. Evans, D. T. Riley, S. P. Tanis, E. W. Thomas, J. F. Fisher, A. W. Harrison, D. L. Alexander, J. P. McGrath 59. Discovery of TR-14035: An orally active dual α4β7/α4β1 integrin antagonist. I. Sircar, K. Gudmundsson, R. Martin, S. No mura, H. Jayakumar, D. M. Nowlin, P. M. Cardarelli, J. R. Mah, S. A. Connell, M. A. Castro, Y. Cao, R. C. Griffith, E. Lazarides 60. SAR of TR-14035: An orally active dual α4β7/α4β1 integrin antagonist. R. Martin, I. Sircar, J. T. Liang, S. Nomura, M. M. Morningstar, K. S. Gudmundsson, D. M. Nowlin, P. M. Cardarelli, J. R. Mah, S. A. Connell, M. A. Castro, Y. Cao, R. C. Grif fith, E. Lazarides

1 0 6 JULY 26, 1999 C&EN

61. Parallel-synthesis optimization of TR14035, a dual-active α4β7/α4β1 integrin antagonist: Generation of α4β1 selective antagonists. P. S. Furth, S-L. Chiang, I. Sircar, R. Griffith, D. Nowlin, F. S. Gorscan, J. Mah, E. Lazarides 62. Quinoline inhibitors of cell adhesion mol ecule expression in human endothelial cells. D. M. Stout, N. A. Mort, K. Condroski, J. Freeman, G-D. Zhu, S. A. Boyd, D. Fry, B. L. Cool, L. Kifle, P. Kilgannon, W. Wisdom, G. F. Okasinski, W. M. Gallatin 63. Synthesis of potent, nonpeptide integrin α ν β 3 antagonists. M. Ishikawa, M. Yamamoto, D. Kubota, N. Yahata, C. Kuroda, S. Yasuda, K. Fujishima, M. Hachisu, K. Katano, S. Murakami, K. Ajito 64. Phenylalanine-based integrin-cell adhe sion molecule antagonists. G. Harriman, C. Schwender, D. Gallant, N. Cochran, M. Briskin 65. Exploring carbohydrate sulfotransferase inhibition: Progress toward PAPS mimetics utilizing a quinoline-based library. D. E. Verdugo, J. I. Armstrong, B. Cook, C. Bertozzi 66. Characterization of the binding specificity of the fertilin β disintegrin loop. S. Gupta, N. S. Sampson 67. Peptides corresponding to the disintegrin domain of mouse fertilin β: Synthesis and biological activity. S. Gupta, N. S. Sampson 68. Inhibition of macrophage migration inhib itory factor (MIF) isomerization activity by conjugated imine derivatives. Y. Al-Abed, A. Dios, C. Metz, R. Bucala 69. Synthesis of ketone analogs of prolyl and pipecolyl ester FKBP12 ligands. Y. Wu, D. Wilkinson, D. Limburg, J-H. Li, H. Sauer, D. Ross, S. Liang, D. Spicer, H. Valentine, M. Fuller, H. Guo, P. Howorth, R. Soni, Y. Chen, J. Steiner, G. Hamilton 70. Synthesis and evaluation of new steroidal anti-inflammatory antedrugs: A series of 9-fluoro-16-methoxycarbonyl-21 -O-acyl prednisolones. D-H. Ko, A. S. Heiman, M. Chen, H. J. Lee 71. Adenosine deaminase binds substrates with a distinct sugar conformation. J. J. Barchi Jr., H. Ford Jr., F. Dai, L. Mu, M. Siddiqui, M. Nicklaus, V. E. Marquez, L. Anderson 72. L-Selectin cleavage. P. A. Mowery, L. Strong, E. Gordon, L. Kiessling 73. Discovery of inhibitors of cell adhesion mol ecule expression in human endothelial cells: Selective inhibition of ICAM-1 and E-selectin expression. S. A. Boyd, A. O. Stewart, P. A. Bhatia, C. M. McCarty, K. Lartey, D. G. Fry, B. L. Cool, L. Kifle, P. F. Kilgannon, W. Wis dom, W. M. Gallatin, K. C. Marsh, A. J. Kempf-Grote, G. F. Okasinski 74. Discovery of inhibitors of cell adhesion molecule expression in human endothelial cells: Selective inhibition of ICAM-1 and E-selectin expression. M. A. Staeger, A. O. Stewart, C. M. McCarty, M. V. Patel, S. A. Boyd, D. L. Arendsen, I. W. Gunawardana, L M. Melcher, G-D. Zhu, P. A. Bhatia, D. G. Fry, B. L Cool, L. Kifle, P. Kilgannon, W. Wisdom, W. M. Gallatin, K. C. Marsh, A. J. Kempf-Grote, G. F. Okasinski 75. Inhibitors of cell adhesion molecule ex pression in human endothelial cells: Modi fication of 2-position of 4-aryloxythieno[2,3-c]pyridines. I. W. Gunawardana, D. L. Arendsen, S. A. Boyd, J. C. Free man, N. A. Mort, M. V. Patel, A. O. Stew art, D. G. Fry, B. L. Cool, L. Kifle, K. C. Marsh, A. J. Kempf-Grote, P. Kilgannon, W. Wisdom, J. Meyer, W. M. Gallatin, G. F. Okasinski 76. Novel sulfamides and sulfonamide inhib itors of matrix metalloproteases. L. J. Mitchell Jr., B. Burke, E. Dagostino, W. K. M. Chong, R. K. Duvadie, K. Lewis, S. A. Margosiak, M. J. Melnick, A. Castelhano, J. Chen, S. Dankwardt, R. T. Hendricks 77. Sulfonamide acids and hydroxamates de rived from D-amino acids are MMP inhibi tors. M. A. Abreo, S. L. Bender, J. Meng, C. S. Agree, W. K. M. Chong, R. K. Du vadie, L. Li, R. Kumpf, B. J. Burke, S. Mar gosiak, J. Register, C. McDermott, D. Shalinsky, J. Brekken, K. Appelt 78. Design of novel selective inhibitors of matrix metalloproteinases 1, 3, and 9. M. J. Gourley, M. A. Avery, J. S. Williamson 79. Vitamin C attenuates the physiological response to stress. M. P. O'Keefe, C. Scholz, P. S. Campbell 80. Pseudopterogorgia elisabethae, a soft coral containing a potent natural anti inflammatory agent, pseudopterosin. L. M. Paulick, M. S. Goldstein

81. NMI-377, a nitric oxide-donating diclofe nac derivative with gastroprotective prop erties. U. K. Bandarage, J. K. Saha, J. D. Schroeder, D. S. Garvey, G. J. Mercer, L. Chen, A. Glavin, D. R. Janero, L. G. Letts, S. W. Tarn 82. Diamine derivatives as novel antagonists for the CCR2b receptor. C. M. Tarby, N. Endo, W. J. Moree, K. Kataoka, M. M. Ramirez-Weinhouse, M. Imai, E. Bradley, J. Saunders, Y. Kato, P. Myers 83. Synthesis and activity of steroidal 17ahydroxy,16a-acetic acid-y-lactones. V. Ramesh, T. Suzaki, K. Kano, Y. Washio, Y. Miyazaki 84. Large-scale synthesis of the new NK an tagonist MEN 11467. A. Salimbeni, D. Poma, V. Caciagli, C. I. Fincham, A. Sisto 85. Potent tetracyclic Kv1.3 inhibitors from correolide-modification at the C18 posi tion. S. Miao, R. K. Baker, J. Bao, F. Kayser, W. H. Parsons, K. M. Rupprecht 86. Potent Kv1.3 inhibitors from correolide modification of C4 position. J. Bao, R. K. Baker, F. Kayser, W. H. Parsons, Κ. Μ. Rupprecht 87. P1/P1'-modified benzothiadiazepines as metalloproteinase inhibitors. R. J. Cherney, D. T. Meyer, L. Wang, J. J-W. Duan, L. Chen, E. C. Arner, B. D. Jaffe, M. B. Covington, C. P. Decicco 88. Development of novel benzothiadiazepine-derived hydroxamic acids as metalloproteinase inhibitors. J. J-W. Duan, L. Chen, C. P. Decicco, R. J. Cherney, Z. R. Wasserman, K. E. Kennedy, D. T. Meyer, L. Wang, M. E. Voss, K. D. Hardman, E. C. Arner, M. B. Covington, R. R.Liu 89. 7-Amino and 7-oxabenzothiadiazepines as matrix metalloproteinase inhibitors. M. E. Voss, J. Duan, E. C. Arner, B. D. Jaffe, M. B. Covington, C. P. Decicco 90. Potent, orally active macrocyclic carbam ate inhibitors of MMPs and TNF-a produc tion. C. B. Xue, M. Voss, I. Jacobson, X. He, J. Roderick, B. Jaffe, M. Covington, R. Wexler, C. Decicco 91. Design and synthesis of symmetrical tetraacid derivatives as mGluR3 agonists and NAALADase inhibitors. F. Nan, T. Bzdega, S. Pshenichkin, J. T. Wroblewski, A. P. Kozikowski 92. Synthesis of neurotensin(9-13) analogs exhibiting enhanced receptor binding ac tivities. J. T. Lundquist IV, E. E. Bullesbach, T. A. Dix 93. Synthesis and SAR of 4-benzyl piperidinyl alkynyl heterocycles as subtype selec tive NMDA receptor antagonists. S. R. Kesten, P. A. Boxer, T. A. Gregory, L. T. Meltzer, J. L. Wright, E. R. Whittemore, R. M. Woodward, L. D. Wise 94. Novel series of 4-benzyl-/V-(4-imidazole1-alkynyl)piperidines as potent subtype selective NMDA receptor antagonists. T. F. Gregory, J. L. Wright, L. D. Wise, L. T. Meltzer, P. A. Boxer, R. M. Woodward, E. R. Whittemore 95. Poly(ADP-ribose)polymerase (PARP) inhib itors and their use as a novel approach to treat ischemia/reperfusion-related injuries. J-H. U, J. Zhang, S. Lautar, V. J. Kalish 96. Alkyl benzothiadiazides: A new subgroup of AMPA receptor modulators with im proved affinity. D. P. Phillips, J. D. Sonnenberg, R. G. Vaswani, T. Kleisli, P. O. Krutzik, A. Arai, M. Kessler, G. Lynch, A. R. Chamberlin 97. New AMPA/GlyN receptor antagonists: Quinoxaline-2,3-dione /V-acyl derivatives. S. S. Nikam, B. E. Komberg, J. Cordon, M. Vartanian, S. Roy, B. A. Boxer, M. F. Rafferty 98. Ligands for characterizing PCP binding sites on the NMDA receptor complex. A. Ogunbadeniyi, J. Shen, W. Bowen, M. Mattson, A. Adejare 99. Synthesis and SAR of butylated hydroxy phenyl oxazole antioxidants for the treat ment of global cerebral ischemia. L. J. Heinz, M. L. Phillips, J. K. Shadle, E. B. Smalstig, D. T. Stephenson, K. S. Rash, R. E. M. Mincy, J. A. Clemens, J. A. Panetta


100. Anils of 4-amino-1,2,4-triazoles as inhib itors of nitric oxide synthase: Automated syntheses and SAR. C. Guillon, A. Men del, M. Zollinger, G. Verderone, P. DeMatteo, N. Heindel, D. Heck, T. Mariano, J. Laskin, A. Tucillo 101. Indolopyrylium salts: Synthesis and application—and discovery of carbacetam, a new potent neuroprotector. Y. A. Nikolyukin, A. V. Kibalny, Κ. Μ. Khabarov, V. I. Dulenko 102. Synthesis and chiral separation of the four diastereomers of GR 94839. F. E. Gaul, W-Y. Zhang, A. L. Maycock, R. N. DeHaven, J. D. Daubert, J. A. Cassel, E. Mansson, F. Geiser, J. Lee, W. L. Cham pion Jr. 103. 3-D QSAR model for the binding of li gands to the neuronal voltage-gated sodi um channel. W. J. Brouillette, C. Zha, G. B. Brown 104. Conformational studies of Gly-L-GIn and its analogs. E. Buyukbingol, M. R. Caira, W. R. Millington, A. Adejare 105. Synthesis and evaluation of novel bifunctional probes for the nicotinic receptor (nNAChR). R. Moaddel, R. N. Hanson, R. H. Loring, G. S. Jones Jr. 106. Separation of neuronal nicotinic recep tor antagonist activity and dopamine up take inhibition by structural modification of the lobeline molecule. M. D. Jones, M. D. Chesnut, L. P. Dwoskin, P. A. Crooks 107. Withdrawn. 108. Design, synthesis, and preliminary eval uation of 3-substituted quinuclidines as nicotinic ligands. M. Zhang, C. Zhao, C. Hightower, J. L. Gabriel, D. J. Canney 109. Improving the nicotinic pharmacophore with a series of (isoxazole)methylene-lazacyclic compounds. J. E. Tonder, J. B. Hansen, M. Begtrup, I. Pettersson, K. Rimvall, P. H. Olesen 110. Design, synthesis, and SAR studies of 2-dialkylamino-4-arylpyrimidines as potent CRF receptor antagonists. C. Chen, C. Huang, J. Whitten, M. Xie, D. Grigoriades, R. Danino, Z. Liu, J. Ramphal, Ε. Β. DeSouza, T. Webb, J. R. McCarthy 111. Heterocyclic triazolopyridines and triazolopyrimidines as corticotropin releasing factor (CRF1) receptor antagonists. A. G. Arvanitis, R. Bakthavatchalam, J. P. Beck, J. T. Rescinito, C. R. Arnold, R. Zaczek, P. J. Gilligan, R. E. Olson, D. W. Rob ertson, L. W. Fitzgerald 112. Withdrawn. 113. Design, synthesis, and SAR studies of 1 -alkyl-3-dialkylamino-5-aryltriazoles as potent CRF receptor antagonists. C. Chen, R. Danino, C. Huang, K. Wilcoxen, M. Xie, D. Grigoriades, E. B. DeSouza, J. R. McCarthy 114. /V-Arylamino- and aryloxy-pyrazolopyrimidines as selective corticotropinreleasing factor antagonists. R. Baktha vatchalam, P. J. Gilligan, L. W. Fitzgerald, R. Zaczek 115. Pyrazinones as corticotropin releasing factor (CRF1) receptor antagonists. A. G. Arvanitis, C. R. Arnold III, L. W. Fitzger ald, R. Zaczek, R. E. Olson, G. L. Trainor, D. W. Robertson 116. Design and synthesis of metabolismbased analogs of haloperidol. S. Y. Ablordeppey, M. D. Lyles-Eggleston, C. McCollough, P. Fan, Q. Yang, J. Xia 117. Org 23366: A potential new atypical an tipsychotic. S. G. Gibson, J. Connick, D. Jaap, R. McGuire, D. Rae 118. Improved selectivity of S15535 at the serotonin 5-HT1A receptor: A series of 2-(arylpiperazine or arylpiperidine) 1 -indanols. B. Goument, J-L. Peglion, N. Despaux, A. Newman-Tancredi, M. J. Millan 119. Novel class of 5-HT2A ligands. R. B. Westkaemper, S. P. Runyon, M. L. Bondarev, J. E. Savage, B. L. Roth, R. A. Glennon 120.1,5-Diphenyl-1,2,3-triazoles and -triazolines: Anticonvulsant activity, aromaticity, and steric hindrance. P. K. Kadaba 121. cGMP synthesis of the dopamine ago nists (+) SKF-81297 and (+) SKF-38393. M. P. Scanned, J. D. Rizzo, A. C. Gyorkos, T. A. Woodrum, T. M. Frade, D. Y. Gaitonde, S. A. Peterson, L. R. Jayasinghe, C. K. Murray

122. Highly selective chiral N-substituted 3a[bis(4'-fluorophenyl)methoxy]tropane ana logs for the dopamine transporter: Synthe sis and comparative molecular field analy sis. M. J. Robarge, G. E. Agoston, S. Izenwasser, T. Kopajtic, C. George, A. H. Newman 123. (fl)-1,11-Methyleneaporphines: Synthe sis and interactions with G-protein coupled receptors. T. Linnanen, M. Brisander, L. Unelius, G. Sundholm, U. Hacksell, A. M. Johansson 124. Synthesis of biphenylic cannabinoid an alogs and structure-activity relationship studies. W. Zhang, P. Fan, A. Makriyannis, Κ. Κ. Redda 125. Bicycloethoxy-piperidines as ligands for cocaine receptors. M. S. Day Jr., P. W. Brown, M. S. Ahmed, Y-S. Lau, A. Adejare 126. Exploration of biologically relevant con formations of anadamide analogs, CTA, using conformational memories. H. Traore 127. Development of selective ligands for benzodiazepine receptor subtypes by ma nipulating the stereochemistry of optically active BzR ligands. M. M. Bruendl, X. He, C. Ma, J. M. Cook 128. Search for selective ligands for GABAA/ BZR subtypes and their role as inverse agonists/antagonists in alteration of alcohol dependence. X. He, C. Ma, M. Bruendl, S. Yu, H. June, R. McKernan, J. M. Cook 129. Search for Bz1 selective ligands for GABAa/benzodiazepine receptor sub types. C. Ma, X. He, M. Bruendl, R. McK ernan, J. M. Cook 130. Drug biomimetic metabolism: Studies on the benzodiazepine diazepam. P. Bernardelli, Y. Pascal, L. Philippe, R. Wrigglesworth, P. Battioni, D. Mansuy 131. Design, synthesis, and SAR of novel imidazole-based growth hormone secreto gogues. J. D. Cohen, L. N. Jungheim, M. D. Adrian, H. U. Bryant, M. L. Heiman, J. J. Osborne, D. E. Seller, P. Shetler, L. L. Short, P. L. Surface 132. Structure-activity studies of novel imazole-based GH secretagogues: Modifi cations of the serine, aminoisobutyric (AIB), and imidazole cores. S. A. Jones, J. A. Dodge, C. A. Alt, H. U. Bryany, J. D. Cohen, C. D. Copp, K. J. Fahey, M. L. Heiman, J. A. Jacobs, L. N. Jungheim, C. W. Lugar, B. S. Muehl, J. J. Osborne, A. D. Palkowitz, G. Rhodes, T. A. Shepherd, L. L Short, P. L. Surface, K. J. Thrasher 133. Synthesis and structure-activity studies of peptidomimetic n-benzylimidazole growth hormone secretagogues. K. J. Thrasher, J. A. Dodge, S. A. Jones, C. W. Lugar, B. S. Muehl, J. J. Orborne, L. L. Short, P. L. Surface, H. U. Bryant, M. L. Heiman, L. N. Jungheim 134. Structure-activity relationships of novel imidazole-based growth hormone secreta gogues: Modification of the aryl glycine core. B. S. Muehl, J. A. Dodge, H. U. Bry ant, M. P. Clay, J. D. Cohen, J. S. Dodge, K. J. Fahey, K. L. Hauser, M. L. Heiman, S. A. Jones, L. N. Jungheim, T. D. Lindstrom, C. W. Lugar, J. J. Osborne, A. D. Palkowitz, T. A. Shepherd, L L. Short, D. Seyler, K. J. Thrasher

*


• •


135. Discovery of LY444711: A novel, highly potent, and orally active growth hormone secretagogue. C. W. Lugar, J. A. Dodge, M. D. Adrian, H. U. Bryant, M. P. Clay, D. M. Cohen, K. J. Fahey, C. A. Alt, M. L. Heiman, S. A. Jones, L. N. Jungheim, B. S. Muehl, J. J. Osborne, A. D. Palkowitz, G. A. Rhodes, R. L. Robey, K. J. Thrash er, T. A. Shepherd, L. L. Short, P. L. Sur face, D. E. Seyler 136. Substituted pyridylethanolamines as β3 adrenergic receptor agonists. V. J. Colandrea, E. M. Naylor, S. Barsoum, M. A. Cascieri, M. R. Candelore, C. Coke, L. Tota, M. J. Wyvratt, M. H. Fisher, A. E. Weber 137. Design and synthesis of novel inhibitors of aldose reductase for the treatment of diabetic complications. M. C. Van Zandt, E. 0. Sibley, K. J. Combs, Ε. Ε. McCann, B. Flam, D. J. Lavoie, D. Sawicki, A. Sabetta, A. Carrington, J. Sredy, V. Calderone, B. Cuevrier, A. Podjarny 138. Using conformationally restricted ana logs to investigate the TRH/TRH-R inter action: The design and synthesis of ana logs with a restriction in the pyroglutamate region of the hormone. J. C. Simpson, K. D. Moeller 139. Solid-phase synthesis of (17oc,20E/Z)21 (substituted)-phenyl-19-norpregna1,3,5,(10),20-tetraene-3,17-diols using Stille coupling. C. Y. Lee, R. N. Hanson, A. Hughes, E. R. DeSombre 140. Synthetic routes for diversifying benzopyrones in combinatorial libraries. J. L. Whetstone, A. S. Bhat, R. W. Brueggemeier 141. Utilization of (2S)-2-azido-5-bromovaleric acid in the development of new routes to alkylated arginine analogs. J. T. Lundquist IV, K. S. Orwig, T. A. Dix 142. Noncysteine β-mercapto-a-amino acids: Prospective tools for peptide chemistry. Z. Lai, R. F. Standaert 143. Substituted coumarins as esterasesensitive prodrug moieties with improved release rates. Y. Liao, B. Wang 144. Selective and potent antagonists for ad enosine A 2 B receptors. Y-C. Kim, X-D. Ji, J. Linden, K. A. Jacobson 145. Synthesis and applications of 7-hydroxyalkyl-7-deaza-2'-deoxyguanosines and triphosphates. S. Kumar, M. G. McDougall, L. Sun 146. Conformationally constrained analogs of parathyroid hormone as a potential treat ment for osteoporosis. S. M. Condon, S. Darnbrough, M. A. Bobko, C. J. Burns, N. U. Jariwala, R. Labaudiniere, B. E. Miller, I. J. Morize, J. Uhl 147. Novel class of PPAR agonists as hypo glycemic and hypotriglycerimic agents for type II diabetes (NIDDM). C. Santini, G. D. Berger, J. J. Acton, A. D. Adams, S. D. Aster, A. Dadiz, D. W. Graham, D. F. Gratale, W. Han, A. B. Jones, G. F. Patel, K. Sidler, S. P. Sahoo, D. Von Langen, W. Yueh, R. L. Tolman, J. V. Heck, M. D. Liebowitz, J. P. Berger, T. W. Doebber, B. Zhang, D. E. Moller, R. G. Smith 148. Synthesis and human β-adrenoceptor activity of 1,2,3,4-tetrahydroisoquinoline-6ol derivatives, in vitro. Y. He, V. I. Nikulin, S. S. Vansal, D. R. Feller, D. D. Miller 149. Synthesis and studies of irreversible melatonin receptor ligands. P-K. Li, D. Sugden, M. T. Teh, G-H. Chu, P. A. WittEnderby 150. Inhibition of lactate dehydrogenase C: The design, synthesis, and testing of li gands as an approach to male contracep tion. T. L. Johnson, M. A. Avery 151. Photocleavage of plasmid DNA by a new series of porphyrins. X. Chen, C. M. Drain

MONDAY MORNING Section A Convention Center Room R07-R08

A

Smissman Award Symposium

•

PETROCHEMICALS

•


8:30—Introductory Remarks. 8:45—152. Selective ligands to explore opi oid receptor architecture and function. P. S. Portoghese


9:25—153. Some metabolic aspects of the metabolism of aryloxypropanolamine β-adrenergic antagonists from a chemical point of view. W. L. Nelson 10:05—154. How structure influences the oral absorption of peptidomimetics. R. T. Borchardt 10:45—Award Presentation. 11:00—155. Award Address. Design, syn thesis, and application of novel scaffolds in peptidomimetic research. R. F. Hir schmann

Section Β Convention Center Room R09 • Addiction

K. Cooper, K. Janda, Organizers 9:00—156. Monoclonal antibodies as shortand long-term antagonist for the treatment of drug abuse. S. M. Owens 9:45—157. Alcoholism, stress, and allostasis. G. F. Koob 10:30—158. Development of 3-phenyltropane analogs as medications for treat ing cocaine abuse. F. I. Carroll 11:15—159. Immunopharmacotherapy for the treatment of cocaine abuse. K. D. Janda

MONDAY AFTERNOON Convention Center Pharmacokinetics

E. Kyburz, Organizer 1:00—160. How to predict drug absorption. S. D. Kramer 1:35—161. Integrated pharmacokinetic-phar macodynamic modeling as a basis for ra tional drug design. M. Danhof, P. H. van der Graaf, E. A. van Schaick, E. H. Cox, K. P. Zuideveld, A. Cleton 2:10—162. Integrated approach to the phar macokinetic optimization of new candidate drugs. G. Gaviraghi, R. J. Barnaby, M. Pellegatti 2:45—163. Optimizing both safety and effica cy in clinical candidate selection: The approach of Cardiovascular Research, Roche Basel. P. Coassolo 3:20—164. New role of ADME in the pharma ceutical industry. G. Gross, J. Vonderscher

TUESDAY MORNING Convention Center Room R07-R08 General

A. Trainor, Presiding 8:30—183. Synthesis and design of potent analgesic compounds with low liver toxici ty. J. M. Minguez, C. Sunkel, J. AlvarezBuilla, V. Marcheselli, D. Paul, A. Vaccarino, N. G. Bazan 8:50—166. Novel 4-azolyl retinoic acid ana logs: Potent inhibitors of retinoic acid me tabolism enzyme(s). V. C. O. Njar, I. P. Nnane, Α. Μ. Η. Brodie 9:10—167. Comparison of the inhibition pro files of isoform-selective inhibitors against PKC and PKM isoforms. P. G. Goekjian, D. B. Nikiç, M. L. Salin 9:30—168. Novel estrogen receptor-β selec tive antagonists: Asymmetric synthesis and structure-activity relationships of cisand /rans-dialkyltetrahydrochrysenes. M. J. Meyers, J. Sun, K. E. Carlson, B. S. Katzenellenbogen, J. A. Katzenellenbogen 9:50—169. Peptidomimetic antagonists of the α ν β 3 integrin receptor and their in vivo efficacy in animal models of cancer. P. G. Ruminski, T. E. Rogers, J. E. Rico, G. A. Nickols, W. F. Westlin, V. W. Engleman, S. L. Settle, J. L. Keene, S. K. Freeman, C. P. Carron, D. M. Meyer 10:10—170. Testing the connection between telomerase inhibition and cancer cell growth. D. R. Corey

A. Doherty, Organizer

10:30—171. Substituted 2-thienyl-1,8-naphthyridin-4-ones: Their synthesis, cytotoxic ity, and inhibition of tubulin polymerization. S-X. Zhang, K. F. Bastow, Y. Tachibana, S. C. Kuo, E. Hamel, A. Mauger, V. L. Narayanan, Κ. Η. Lee 10:50—172. HTS assay for tubulin ligands with anticancer properties. A. Davis, K. Middleton 11:10—173. Development of a bifunctional chelating agent suitable for radioimmunotherapy using actinium-225. M. W. Brechbiel, K. A. Deal, L. L. Chappell, E. Dadachova, I. Davis, S. Mirzadeh 11:30—174. Novel tricyclic pyridopyrimidine derivatives as potential inhibitors of folaterequiring enzymes. E. C. Taylor, B. Bhatia Carbohydrate Vaccines and Biotechnology cosponsored with Division of Carbohydrate Chemistry (see page 72)

TUESDAY AFTERNOON Section A Convention Center Room R07-R08 * Serotonin Receptor Modulators

A. Robichaud, Organizer 1:00—175. Serotonin receptor modulators: Breakthrough medicines and harbingers of therapeutic opportunities. D. W. Robertson 1:30—176. Structure-activity relationship studies leading to LY334370, a selective 5-HT1F receptor agonist (SSOFRA). J. M. Schaus 2:15—177. RS-127445: A selective, highaffinity, orally bioavailable 5-HT2B receptor antagonist. L. A. Flippin, D. W. Bonhaus 3:00—178. Potent and selective 5-HT6 re ceptor antagonists. S. M. Bromidge 3:45—179. Selective 5-HT4 receptor ligands. R. M. Eglen, R. D. Clark 4:30—180. From SSRIs to 5-HT2C agonists as potential antidepressants and anxiolyt ics. D. Leysen

Section Β Convention Center Room R09 General

A. Trainor, Presiding 1:00—181. Highly potent oc-keto amide inhib itors of cruzain, a cysteine protease of Trypanosoma cruzi. C. Grisostomi, M. Lange, H. Chen, M. E. Cullinane, S. Weston, P. V. Pallai 1:20—182. New approaches to highthroughput synthesis for combinatorial chemistry. B. Moshiri 1:40—165. Discovery of indolocycloheptapyridine inhibitors of farnesyl protein trans ferase by de novo analysis of the X-ray crystal structure of Sch-66336-r-FPT. A. G. Taveras, C. J. Vaccaro, J. Chao, R. J. Doll, V. Girijavallabhan, A. K. Ganguly, C. Strickland, P. Weber, F. Hollinger, M. Snow, W. R. Bishop, R. Patton, P. Kirschmeier, L. James, M. Liu, A. Nomeir, L. Heimark, M. Puar 2:00—184. Discovery and optimization of po tent nonpeptidic glucagon antagonists. G. Ladouceur, J. Cook, E. Doherty, H. Jones, D. Hertzog, T. Hundertmark, M. Korpusik, T. Lease, J. Livingston, M. MacDougall, M. Osterhout, K. Phelan, R. Ro mero, C. Shao, W. Schoen 2:20—185. D-Aspartic acid in osteoarthritic and normal knee cartilage. G. H. Fisher, N. Forbes, N. Lorenzo, A. Mohammed, A. Radif, G. Thompson, K. Vassell, I. Philip 2:40—186. RPR200765A, discovery of a novel P38 inhibitor. F. Halley, I. McLay, A. Collis, J. Souness, A. Ratcliffe, G. Miller 3:00—187. 2-Substituted-6-amino-5-phenyl bicyclo[2.2.2]octanes as monoamine up take inhibitors. H. M. Deutsch, D. M. Collard, S. Javanmard, S. G. Holtzman, R. D. Spealman, M. J. Kuhar, M. M. Schweri Biotechnology and Society in the New Millennium cosponsored with Younger Chemists Committee (see page 63)


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107

MEDI/NUCL/TECHNICAL PROGRAM

WEDNESDAY MORNING Section A Convention Center Room R07-R08 1998 Division of Medicinal Chemistry Predoctoral Fellowship Awards Symposium

A. Trainor, Organizer, Presiding 8:30—188. Synthesis and evaluation of CC1065 and duocarmycin analogs incorpo rating the CPyl alkylation subunit. D. L. Boger, C. W. Boyce 9:00—189. Stopped-flow kinetic studies of the binding of HMG-domain proteins to cisplatin-modified DNA. E. R. Jamieson, S. J. Lippard 9:30—190. Cell-surface glycoform engineer ing: Applications and molecular definition. L. K. Mahal, C. R. Bertozzi 10:00—191. Total synthesis of 7-deoxy-okadaic acid. A. B. Dounay, R. A. Urbanek, S. F. Sabes, C. J. Forsyth 10:30—192. Total synthesis of (+)-lactacystin. C. E. Masse Section Β Convention Center Exhibit Hall Β Poster Session

A. Trainor, Organizer, Presiding 10:00-Noon 193. Synthesis and biological evaluation of hypolipidemic trisubstituted ureas with fibrate and ACAT inhibitory activity. M. R. Player, J. M. Chapman, R. L. Hawke 194. Amide bioisosteres of potent trisubstitut ed ureido phenoxybutyrate antihyperlipidemic agents. Z. Wu, R. L. Hawke, J. A. Salisbury, D. A. Winegar, M. R. Player, J. M. Chapman 195. Mechanism of the antioxidative activity of fluvastatin: Determination of antioxida tive site. Y. Miura, K. Hirota, Y. Oyama, T. Nakamura, H. Nishi, Y. Kokusenya 196. Synthesis of unique structural mimics of β-blocker metabolites. G. Verderone, N. D. Heindel, K. Kardos, L. Yeager, E. Beil, T. Fries, R. S. Niedbala 197. Structure-activity relationship of amino acid derivatives and their potential use as lipoprotein(a) [Lp(a)] lowering agents. H. T. Lee, K. E. Sexton, J. K. Pontrello, W. C. Patt, B. D. Roth, M. A. Spahr, R. Ramharack 198. Sulfonamides as potential Lp(a) lower ing agents. K. E. Sexton, H. T. Lee, J. K. Pontrello, B. D. Roth, M. A. Spahr, R. Ramharack 199. Alternate linkers in a bisamide series of factor Xa inhibitors. T. Goodson Jr., M. R. Wiley, L. C. Weir, J. J. Masters, J. B. Franciskovich, J. M. Tinsley, Y. K. Yee, A. L. Tebbe, J. B. Kyle, G. F. Smith, T. J. Craft, R. D. Towner, D. S. Gifford-Moore, D. K. Herron 200. Thiourea inhibitors of 15-lipoxygenase. K. E. Sexton, W. H. Roark, R. J. Sorenson, J. A. Cornicelli, C. S. Sekerke, K. A. Welch 201. New dicarbonyl cycloalkyl based throm bin inhibitors with improved activity and selectivity compared to (o)-Phe-ProBoroArg dérivâtes. P. Gloanec, A. Rupin, T. Verbeuren, G. De Nanteuil 202. Synthesis of 3'-EPI-K252a. D. E. Gingrich, T. Angeles, R. L. Hudkins 203. /V-Alkoxy-2-(4-iodo-phenylamino)benzamides: O-Alkyl benzhydroxamate esters as a novel class of potent and longacting in vitro MEK inhibitors. S. D. Barrett, A. J. Bridges, W. R. Leopold, S. A. Przybranowski, J. H. Fergus, D. T. Dudley, A. M. Doherty, R. M. Kennedy, D. Marston, W. A. Howard Jr., H. Tecle 204. Design, synthesis, and biological evalution of novel multiloop ligands that selectively inhibit PDGF-dependent receptor tyrosine kinase signaling and human tumor growth in nude mice. Q. Lin, M. A. Blaskovich, J. Sun, S. M. Sebti, A. D. Hamilton 205. Probing the structural determinants of the instability of endostatin employing PME-based molecular dynamics simulations. J. El Yazal, M. T. Halliwill, F. G. Prendergast, Y-P. Pang

1 0 8 JULY 26, 1999 C&EN

206. Synthesis and antitumor activity of duocarmycin derivatives: Modification of affinity moiety to DNA minor groove. Ν. Μ. Amishiro, S. Nagamura, E. Kobayashi, A. Okamoto, K. Gomi, H. Saito 207. What does density-functional and ab in itio theory have to say about the duocar mycin debate? K. N. Kirschner, M. Lee, J. P. Bowen 208. Second-generation peptidomimetic in hibitors of protein famesyl transferase demonstrating improved cellular potency and significant in vivo efficacy. K. Barr, W. Shen, D. Augeri, S. Rosenberg, S-C. Ng, H. Sham, L. Wang, S. J. O'Connor, Β. Κ. Sorensen, S. Fakhoury, D. Janowick, K. Henry, B. Szczepankiewicz, D. Kalvin, J. Larson, G. Donner, A. S. Tasker, G. Sulli van, J. Cohen, E. Devine, S. Cherian, Β. Saeed, Η. Zhang, J. Y. Lee, R. Warner, P. Kovar, P. Ewing, J. Alder, M. Mitten, J. Leal, K. Marsh, J. Bauch, D. J. Hoffman, S. M. Sebti 209. Tricyclic farnesyl protein transferase in hibitors: Crystallographic and calorimetric studies of structure-activity relationships. C. L. Strickland, P. C. Weber, W. T. Windsor, Z. Wu, H. V. Le, M. M. Albanese, C. S. Alvarez, D. Cesarz, J. del Rosario, J. Deskus, A. K. Mallams, F. G. Njoroge, J. J. Piwinski, S. Remiszewski, R. R. Rossman, A. G. Taveras, B. Vibulbhan, R. J. Doll, V. M. Girijavallabhan, A. K. Ganguly 210. Synthesis and structure-activity relation ships of 1-(1(3)H-imidazole-5(4)-yl)methylpyrroles as farnesyl protein transferase inhibitors (FTPI). H. Lee, J. Lee, Y. Shin, W-H. Jung, J. H. Kim, K. Park, M. Kim, K. Moon, H. S. Kim, S. H. Lee, S. Lee, S. Ro, H-H. Chung, J. Koh 211. Ras farnesyl transferase inhibitors: Syn thesis and structure-activity relationships of a new series of histidine derivatives. J. Quin III, J. S. Kaltenbronn, D. Leonard, K. Shuler, D. J. McNamara, J. Sebolt-Leopold, R. Gowan, M. Latash, J. Scholten, K. Zimmerman, C. Shaffer, A. M. Doherty 212. Novel nonthiol inhibitors of farnesyl transferase show potent antitumor proper ties. J. Ohkanda, M. Blaskovich, J. Sun, S. M. Sebti, A. D. Hamilton 213. Structure-activity studies on two histidyl(A/-benzylglycinamide) Ras farnesyl trans ferase inhibitors. K. R. Shuler, D. M. Leo nard, J. S. Kaltenbronn, J. Quin III, Κ. Μ. Smith, D. J. McNamara, J. D. Scholten, C. Shaffer, K. Zimmerman, J. S. SeboltLeopold, M. Latash, R. Gowan, A. M. Doherty 214. Novel ATP-site cyclin-dependent kinase (CDK) inhibitors: Selective CDK inhibitors. R. K. Duvadie, W. K. M. Chong, L. Li, S. S. Chu, Y. M. Yang, J. Nonomiya, K. D. Tucker, C. T. Lewis, D. R. Knighton, R. A. Ferre, K. Lundgren, T. Koudriakova, J. Es cobar, S. Minnick Price, A. Huber, W. Sisson, R. M. Aust, G. M. Verkhivker, L. Schaffer, P. W. Rose 215. Novel ATP-site cyclin-dependent kinase (CDK) inhibitors: Selective inhibitors of CDK4/cyclin D. L. Li, W. K. M. Chong, R. K. Duvadie, S. S. Chu, Y. M. Yang, J. Nonomiya, K. D. Tucker, C. T. Lewis, D. R. Knighton, R. A. Ferre, L. Karen, T. Koudriakova, J. Escobar, S. Minnick Price, A. Huber, W. Sisson, R. M. Aust, G. M. Verkhivker, L. Schaffer, P. W. Rose 216. Synthesis of oligodeoxynucleotideplatinum conjugates. L. Cai, S. Ren 217. Synthesis and SAR of novel azetidinones related to PSA inhibition. Ν. Κ. Harn, B. A. Anderson, A. M. McNulty, B. L. Neubauer, J. R. Rizzo 218. Model for the human androgen receptor ligand binding domain using molecular dy namics simulations. C. A. Marhefka, B. M. Moore II, J. T. Dalton, D. D. Miller 219. Synthesis and pharmacological evalua tion of new 17a-acyloyloxy-4-halo-4pregnene-3,20-dione derivatives as antiandrogens. E. A. Bratoeff, E. Ramirez, M. Cabeza, E. Murillo, G. Flores 220. Development of a radioiodinated non steroidal ligand for the androgen receptor. M. E. Van Dort, D. M. Robins, B. Wayburn, R. L Wahl 221. Design, synthesis, and study of novel pyrimidine nucleoside derivatives as po tential mechanism-based inhibitors of thymidylate synthase (TS). Z. Nie, A. Kamat, T. I. Kalman 222. 2-Amino-4-oxo-5-substituted phenylethylpyrrolo[2,3-d)pyrimidines as thymidylate synthase inhibitors. X. Song, A. Gangjee

223. Synthesis of 9-methyl nonclassical 5-substituted 2,4-diamino furo[2,3-c0pyrimidines as potential antipneumocystis, antitoxoplasma, and antitumor agents. Y. Zheng, A. Gangjee, S. Queener, R. Kisliuk 224. Design and synthesis of 2,4-diaminoand 2-amino-4-oxo-5-methyl-6-arylthiopyrrolo[2,3-d]pyrimidines as dihydrofolate reductase inhibitors. A. Gangjee 225. Synthesis and structure-activity relation ships of phenylpiperazine derivatives: A new series of potent and selective a-1a adrenergic receptor antagonist. G-H. Kuo, C. Prouty, W. Murray, V. Pulito, L. Jolliffe, P. Cheung, S. Varga, M. Evangelisto, J. Wang 226. 3-Oxo-4aza-5a-7b-methylpregnan-20ethers as inhibitors of human type 1 5areductase: Synthesis and structure-activity relationship. G. F. Patel, R. K. Bakshi, G. H. Rasmusson, R. L. Tolman, B. C. Chang, K. P. Ellsworth, G. S. Harris 227. Overlapping function of amino acids in position - 2 and Y° leading to high-affinity nonphosphorylated peptide ligands of Grb2-SH2 domain. Y-Q. Long, F-D. T. Lung, Z-J. Yao, J. H. Voigt, C. R. King, T. R. Burke, Jr., P. P. Roller 228. Synthesis and enzymatic incorporation of a tricyclic pyrazolo-[3,4-c/|pyrimidine nu cleoside triphosphate. P. J. Finn, L. V. Wootton, S. Bernot, W. J. Cummins, C. Smith 229. Reactions of n-alkyl nitrogen mustards with peroxides. L. R. McMahon, F. J. Berg, F. L. Hsu 230. Design and synthesis of novel syloxyacetal glucosides as selective pH-dependent antitumor prodrugs. J. H. Penn, S. A. Svarovsky 231. Metal complexation behavior and cyto toxicity of novel hexadentate chelators. R. P. Planalp, G. Park, M. W. Brechbiel, S. V. Torti 232. Cytotoxic alkaloids from Pogonopus speciosus. A. Ito, Y-H. Lee, H-B. Chai, N. R. Farnsworth, G. A. Cordell, J. M. Pezzuto, A. D. Kinghorn, M. P. Gupta 233. Synthesis and cytotoxicity studies of new benzazolo[3,2-a]quinolinium salts. O. Cox, M. Cordero 234. Total synthesis and biological activity of laulimalide. A. K. Ghosh, Y. Wang 235. Green gold from down under: The search for phytopharmaceuticals from tropical North Queensland, Australia. M. C. Setzer, W. N. Setzer 236. Cytotoxicity of Stauranthus perforates from Monteverde, Costa Rica. W. N. Setzer, J. M. Schmidt 237. Novel dihydronaphthoquinolones from the roots of Ekmanianthe longiflora. S. R. Peraza-Sanchez, H-B. Chai, Y. G. Shin, N. R. Farnsworth, G. A. Cordell, J. M. Pezzuto, A. D. Kinghorn, R. Garcia, M. Mejia, C. R. Fairchild, K. Lane, A. Menendez 238. Polycyclic aromatic compounds as anti cancer agents: Synthesis and biological evaluation of dibenzofluorene derivatives. B. K. Banik, C. Mukhopadhyay, L. C. Hackfeld, I. Banik, F. F. Becker 239. Synthesis and cytotoxic activity of a se ries of diacetylene compounds related to falcarindiol. W. N. Setzer, E. B. Wells, X. Gu 240. Application of the Passerini reaction to the synthesis of a-hydroxy-p-amino amides, acids, and peptidyl a-ketoamide derivatives. J. E. Semple, T. D. Owens, G. L. Araldi, K. Nguyen, Ο. Ε. Levy 241. Novel protocol for the solid-phase syn thesis of peptidyl and peptidomimetic P r argininal derivatives. J. E. Semple, J. A. Gaudette, D. V. Siev 242. Asymmetric synthesis of novel quater nary a-hydroxy-é-lactam dipeptide surrogates. J. E. Semple, J. E. Reiner, Ν. Κ. Minami 243. Phosphonamidate inhibitor of leucine aminopeptidase. P. Kafarski, J. Grembecka, A. Mucha 244. Efficient synthesis of optically pure 4,4difluoroglutamic acid. N. G. J. Richards, Y. Ding


245. Withdrawn. 246. Structural basis of the interaction be tween matriptase and its cognate Kunitztype inhibitor. C-Y. Lin, I. J. Enyedy, S. Wang, R. D. Dickson 247. Bioconjugation without linker or activa tor to polymer platforms with carboxyl and hydroxy moieties. C. A. Martey, D. J. Gelormo, N. D. Heindel, W. A. Longton 248. Receptor clustering using synthetic mul tivalent ligands. J. E. Gestwicki, L. E. Strong, L. L. Kiessling 249. Comparisons of p/Ca and log Ρ values of some carboxylic and phosphonic acids. R. G. Franz 250. Synthesis of a series of triazolyl, pyrazolyl, and pyrimidinyl phosphonic acids. R. G. Franz 251. Improved synthetic route to 6-fluoropurine nucleosides. V. Gurvich, H-Y. Kim, R. P. Hodge, C. M. Harris, T. M. Harris 252. Increased throughput in an in vivo as say by use of parallel synthesis. D. C. OToole, J. J. Freeman Jr., C. Rosado, K. Ang, E. Mayer, A. Leone-Bay 253. Modeling kinetic rates of acyl migration of β-1-acyl glucuronide metabolites with the k-nearest-neighbor and genetic algorithm-partial least-squares QSPR methods. G. S. Ethiraj, S. G. Hege, P. C. Smith, A. Tropsha 254. Design and synthesis of bis-pyridiniumaldoxime reactivators of organophosphate poisoned acetylcholinesterase. T. M. Kollmeyer, F. Hong, P. I. Hammond, S. P. Jones, S. Brimijoin, Y-P. Pang 255. Toward a general approach to stereoselectively β-deuterated and 15N-labeled amino acids: Synthesis of (2S,3S)-[32 H,15N]-phenylalanine. D. W. Barnett, M. J. Panigot, R. W. Curley Jr. 256. Synthesis and in vivo evaluation of 6-fluoro-a-methyl-L-tryptophan. D. Lambin, V. Tadino, C. Olynyk, C. Lemaire, A. Plenevaux, J-F. Pujol, A. Luxen 257. Conformational^ constrained metallopeptide template for melanocortin-1 re ceptor. Y. Shi, H-Z. Cai, W. H. Yang, C. Blood, A. Shadiack, S. Sharma 258. Structure and conformational properties of a functional antagonist of the melanocortin-4 receptor. N. G. J. Richards, R. Thirumoorthy, C. Haskell-Luevano, A. M. Schentrup, A. S. Edison 259. Metallopeptides as conformationally constrained mimics of peptide and protein structural motifs. S. Sharma, H-Z. Cai, W. H. Yang, Y. Shi 260. 3'CMP:RNASE A complex: A model system for optimizing the transferred NOESY experiment for determining bound ligand conformations in small proteins. Y-C. Lee, P. Jackson, D. D. Muccio 261. NMR and CD conformation analysis of cis/trans proline isomers in the neutrophil chemoattractant, /V-acetyl-Pro-Gly-Pro. P. L. Jackson, Y-C. Lee, D. D. Muccio 262. New class of biphenylene dibenzazocinones as potent ligands for the human EP1 prostanoid receptor. P. Lacombe, R. Ruel, M. Abramovitz, C. Godbout, S. Lamontagne, C. Rochette, N. Sawyer, R. Stocco, N. M. Tremblay, K. M. Metiers, M. Labelle 263. Synthesis of 17-phenyl saturated pros taglandin F analogs via a key 13-aldehyde. M. A. deLong, D. L. Soper, J. A. Wos, Y. Wang, M. Dirr, B. De, J. Hartke 264. Novel η-type calcium channel antago nists: SAR studies of PD 0151307 analogs. Y. Song, A. D. Sercel, S. Ingals, D. T. Con nor, B. D. Roth, T. Malone, L-Y. Hu, M. F. Rafferty, W. Cody, J. J. Greer, D. Rock, C. Taylor, S. Stoehr, S. M. Lotarski, M. Vartanian, B. G. Szoke, E. Millerman, K. Tarczy-Hornoch, L. Nadasdi, G. Miljanich 265. Novel η-type calcium channel antagon ists: SAR studies on a series of benzhydrylalkyl amides and identification of PD 0176078 as a potent antagonist. Y. Song, A. D. Sercel, S. Ingals, D. T. Connor, B. D. Roth, L-Y. Hu, T. R. Ryder, M. F. Rafferty, J. J. Geer, D. Rock, C. Taylor, S. Stoehr, S. M. Lotarski, M. Vartanian, B. G. Szoke, E. Millerman, K. Tarczy-Hornoch, J. Wang, S. S. Bowersox, L. Nadasdi, G. Miljanich 266. Novel η-type calcium channel antagon ists: SAR studies on a series of benzhydrylpiperazines. Y. Song, A. D. Sercel, S. Ingals, D. T. Connor, B. D. Roth, T. Malone, M. F. Rafferty, J. J. Geer, D. Rock, C. Tay lor, S. Stoehr, S. M. Lotarski, M. Vartanian, B. G. Szoke, K. Tarczy-Hornoch, E. Millerman, L. Nadasdi, G. Miljanich

267. Naltrindole analogs as potent and selec tive κ-opioid receptor antagonists. W. C. Stevens Jr., R. M. Jones, G. Subramanian, D. M. Ferguson, P. S. Portoghese 268. Extended TIP(P) analogs as opioid re ceptor ligands. V. Kumar, T. F. Murray, J. V. Aldrich 269. 5 Opioid selectivity of N-substituted SNC80 analogs. M. S. Furness, C. M. Dersch, R. Horel, R. B. Rothman, K. C. Rice 270. Synthesis, opioid receptor binding, and activity profiles of novel pyrido- and thienomorphinans. S. Ananthan, S. K. Saini, H. S. Kezar III, P. Davis, F. Porreca, C. M. Dersch, R. B. Rothman 271. Synthesis of a novel 7,14-ethanobridged opiate. H. Yu, L. Wang, J. Flippen-Anderson, K. C. Rice 272. Design and synthesis of novel piperazinyl-indoles as cyclooxygenase-2 inhibi tors. J. L. Moore, M. R. Michaelides, K. Stewart, S. Majest, K. I. Hulkower, V. Klinghofer, R. L. Bell 273. Rofecoxib, (MK-966, Vioxx-»), a new, selective, and orally active cyclooxy genase-2 inhibitor. M. Thérien, P. Prasit, Z. Wang, C. Brideau, C. C. Chan, S. Charleson, W. Cromlish, D. Ethier, J. F. Evans, A. W. Ford-Hutchinson, J. Y. Gauthier, R. Gordon, J. Guay, M. Grosser, S. Kargman, B. Kennedy, Y. Leblanc, S. Léger, J. Mancini, G. P. O'Neill, M. Ouellet, M. D. Percival, H. Perrier, D. Riendeau, I. Rodger, P. Tagari, P. Vickers, E. Wong, L. J. Xu, R. N. Young, R. Zamboni, S. Boyce, N. Rupniak, M. Forrest, D. Visco, D. Patrick 274. /V-(3-Acyloxy-2-benzylpropyl)-/V-(4hydroxy-3-methoxybenzyl)thiourea derivatives as potent vanilloid receptor agonists and analgesics. J . Lee, J. Lee, J-Y. Kim, U. Oh, Y-H. Park, V. E. Marquez, P. M. Blumberg 275. Synthesis and antiviral evaluation of 2-amino- and 2-carboxamido-3-arylsulfonylthiophenes and related compounds. C. E. Stephens, J. W. Sowed Sr., G. Andrei, J. Balzarini, R. Snoeck, E. DeClercq 276. Peptide-based inhibitors of the hepatitis C virus serine protease. E. Ghiro, M. Bailey, G. Fazal, V. Gorys, S. Goulet, T. Halmos, M. Poirier, M. A. Poupart, J. Rancourt, D. Wernic, M. Llinàs-Brunet 277. New potent aromatic inhibitors of influenza virus sialidase. W. J. Brouillette, S. M. AH, J. Finley, M. Luo 278. Aryl alkyl ureas as inhibitors of influenza virus. J. E. Munroe, J. A. Kyle, J. Tang, R. S. Sachs, S. W. Kaldor, J. E. Fritz 279. Solution-phase parallel synthesis of phenolic ethers as inhibitors of influenza neuraminidase. E. S. Johnson, W. J. Brouillette, S. Bantia 280. Novel benzoic acids as influenza neuraminidase inhibitors. W. J. Brouillette, S. N. Bajpai, J. B. Finley, M. Luo 281. Design and synthesis of novel depsipeptide inhibitors of human rhinovirus 3C protease. J. T. Marakovits, S. E. Webber, P. S. Dragovich, T. J. Prins, R. Zhou, S. A. Fuhrman, A. K. Patick, C. E. Ford, E. L. Brown, J. W. Meador, S. T. Woriand, D. A. Matthews, R. Ferre 282. β-Lactam derivatives as inhibitors of human cytomegalovirus protease. J. A. O'Meara, C. Yoakim, W. W. Ogilvie, D. R. Cameron, C. Chabot, C. Grand-Maître, I. Guse, B. Haché, J. Naud, R. Plante, R. Déziel

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CATALYSIS

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283. Synthesis and evaluation of a series of 1 H-benzimidazole pyranosides as antihuman cytomegalovirus agents. F. L. Boyd, E. M. Turner, G. A. Freeman, J. A. Stafford, G. E. Peckham, S. D. Chamberlain, S. S. Gonzales, G. W. Koszalka, L. B. Townsend, J-L. Girardet, J. A. Walker II, M. R. Underwood, D. W. Selleseth, R. J. Harvey, M. G. Davis, R. G. Ferris, Κ. Κ. Biron, J. C. Drach, R. E. Domsife, Ε. Η. Dark, T. C. Burnette, L. W. Frick 284. Disinfectants and virucides for prevent ing AIDS. S-K. Lin 285. Design and synthesis of possible HIV-IN and HIV-RT inhibitors based on a gem-disulfone moiety. M. J. Hadd, J. Gervay 286. Modification of anti-HIV antibody re sponse and peptide solution conforma tions by point substitutions in chimeric gp120 C4-V3 immunogenic peptides. L. D. Spicer, R. deLorimier, H. F. Staats, B. F. Haynes 287. Statistical and computational methods as means for designing highly active diarylsulfones as HIV-1 reverse transcriptase inhibitors. F. P. Zappaterrini, M. Zanger, R. J. Zauhar, W. Wonggornworawad 288. Effect of alkoxy chain length on the in vitro antiviral activity of ganciclovir mono phosphate alkoxypropyl esters. S. Strah, J. R. Beadle, K. A. Aldern, K. Y. Hostetler 289. Structure-activity relationship of quinoline analogs as inhibitors of C. albicans prolyl t-RNA synthetase. X. Y. Yu, J. M. Hill, G. Yu, Y. Yang, A. F. Kluge, D. Keith, J. Finn, P. Gallant, J. Silverman 290. Withdrawn. 291. Development of novel antimalarial agents targeting heme polymerization. J. M. Kim, J. A. Ellman 292. Evaluation of the enzyme kinetics for a new antibacterial drug target. B. S. Pybus, J. L. Mitchell, M. Pierson, M. Sthanam, R. Singh, Y. Luo, Y. Devedjiev, D. DeLucas, D. D. Muccio 293. Cephalosporins with improved β-lactamase inhibitory activity. J. D. Buynak, V. R. Doppalapudi, S. D. Nidamarthy, G. Adam, A. S. Rao 294. Investigation of extracts from 25 Jamai can folklore plants for antibacterial activity: Structure-activity relationship of mikanolide and its derivatives. P. C. Facey, K. O. Pascoe, R. Porter, A. Jones 295. Synthesis of inhibitors of prokaryotic NAD synthetase. W. J. Brouillette, S. T. Weiss, C. G. Brouillette, M. C. Pierson, L. J. DeLucas 296. Structure-activity relationship of biphenylquinoline analogs as inhibitors of S. au reus methionyl-tRNA synthetase. X. Y. Yu, J. M. Hill, G. Yu, Y. Yang, A. F. Kluge, D. Keith, J. Finn, P. Gallant, J. Silverman 297. Combinatorial synthesis of NAD syn thetase inhibitors. J. G. Garcia, C. G. Brouillette, M. C. Pierson, L. J. DeLucas, W. J. Brouillette 298. Synthesis of NAD synthetase inhibitors as potential antibacterial agents. W. J. Brouillette, S. E. Velu, C. G. Brouillette, M. C. Pierson, L. J. DeLucas

Section C Convention Center Room R09 • Agonist/Antagonist Pairs

K. Shiosaki, Organizer 9:00—Introductory Remarks. 9:05—299. GPCR structure and function: Keeping it all in perspective. J. A. Bikker, C. Humblet 9:40—300. Benzodiazepine CCK-A and CCK-B agonists and antagonists. Ε. Ε. Sugg 10:15—301. Do opioid agonist and antago nist ligands interact with identical, overlap ping, or separate recognition sites? P. S. Portoghese 10:50—302. Design and synthesis of a new class of highly potent nonpeptide bradykinin B 2 receptor agonists and antagon ists. Y. Abe, H. Kayakiri, S. Satoh, T. Inoue, Y. Sawada, T. Mizutani, T. Oku, H. Tanaka 11:25—303. Nonpeptide somatostatin agon ists with selectivity for the subtype 4 re ceptor. A. M. Crider, S. Liu, C. Tang, B. Ho, M. Ankersen, C. E. Stidsen Antibiotic Resistance: Vancomycin and Beyond cosponsored with Division of Organic Chemistry (see page 118)

WEDNESDAY AFTERNOON Section A Convention Center Room R07-R08 • Antibiotic Resistance: Vancomycin and Beyond Cosponsored with Division of Organic Chemistry

J. Schwab, J. Ellman, Organizers 1:00—304. Reprogramming the cell wall in vancomycin resistance: Altered specificity of D-,D-ligases. C. T. Walsh 1:50—305. Glycopeptide resistance in glycopeptide antibiotic producing organisms. G. D. Wright 2:40—306. Combating antimicrobial resis tance: New semisynthetic glycopeptide derivatives active against vancomycinresistant organisms. R. C. Thompson 3:30—307. Studies on the glycopeptide anti biotics. D. E. Kahne

Section Β Convention Center Room R09 • Minor Groove Binding Agents

THURSDAY AFTERNOON Convention Center Room R07-R08 Biotechnology in Medicine Cosponsored with Cellulose, Paper & Textile Division and Division of Small Chemical Businesses

A. Christianson, Organizer 1:00—Introductory Remarks. 1:10—318. DOTS resource for genome anno tation and gene expression analysis. G. C. Overton, B. Brunk, J. Crabtree, S. Fischer, M. Gibson, J. Milgram, C. Stoeckert 1:45—319. Identification of drug targets by analysis of gene expression patterns: Neurotransmitters. M. G. Walker, W. Volkmuth, Τ. Μ. Klingler 2:20—320. From database to drug-discov ery: Novel ion channels as therapeutic tar gets. J. Aiyar 2:55—321. Ges, a new member of the Rad/ Gem/Kir/mRem GTPase family, is tran siently induced by angiogenic stimuli and promotes sprouting in endothelial cells. J. Y.Pan 3:30—322. Computational biology: Driven pharmaceutical target discovery. K. Rob inson

K. Janda, Organizer 1:30—308. 7-/V-(2-Mercaptoethyl)mitomycin C: A novel DNA binding agent. H. L. Kohn, S. Wang, Y. Na, V-S. Li 2:15—309. Minor groove as a site for DNA recognition. R. E. Dickerson, M. L. Kopka 3:00—310. Five classes of natural products and five solutions to sequence-selective DNA minor groove recognition. D. L. Boger 3:45—311. Bleomycins: Insights into doublestranded DNA cleavage and repair. S. Hoehn, H. D. Junker, J. Kozarich, C. Turn er, J. Stubbe 4:30—312. Probing interactions in the minor groove by mimicking DNA structure. Ε. Τ. Kool

NUCL DIVISION OF NUCLEAR CHEMISTRY & TECHNOLOGY L. R. Morss, Program Chair

THURSDAY MORNING Convention Center Room R07-R08

• Cell Cycle A. Doherty, Organizer 8:30—313. Exploiting cell cycle regulation for novel therapeutics. N. Pryer 9:10—314. Identification of inhibitors of cyclin-dependent kinases. J. M. Veal, N. Bramson, S. Dickerson, S. Frye, P. Harris, A. Hassell, B. Holmes, R. Hunter, L. Kuyper, K. Lackey, B. Lovejoy, M. Luzzio, V. Montana, W. Rocque, L. Shewchuk, D. Walker 9:50—315. Unique cyclin-dependent kinase (CDK) inhibitors at the ATP-site. W. K. M. Chong, L. Li, R. K. Duvadie, S. S. Chu, Y. M. Yang, J. Nonomiya, K. D. Tucker, D. R. Knighton, R. A. Ferre, Κ. Lundgren, J. Es cobar, S. Minnick Price, A. Huber, T. Koudriakova, J. M. Arruda, W. Sisson, R. M. Aust, G. M. Verkhivker, L. Schaffer, P. W. Rose, C. T. Lewis 10:30—316. Characterization of indenopyrazoles as inhibitors of cyclin-dependent ki nases. S. P. Seitz, P. A. Benfield, J. BoyIan, M. Boisclair, L. Brizuela, C. R. Burton, D. J. Carini, C. H. Chang, S. Cox, P. M. Czemiak, R. H. Grafstrom, R. H. Hoess, J. K. Muckelbauer, D. A. Nugiel, K. A. Rossi, G. L. Trainor, P. Woriand, E. W. Yue 317. Withdrawn.

SOCIAL EVENT: Social Hour, Tue BUSINESS MEETING: Tue

SUNDAY MORNING Section A Convention Center Room 244 A First Accomplishments of U.S. DOE Environmental Management Science Program Tutorial Lectures on U.S. DOE Complexwide Issues Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

P. G. Eller, W. R. Heineman, Organizers, Presiding 9:50—Introductory Remarks. 10:00—1. Complexwide DOE subsurface re mediation problem set. H. T. Hicks 11:00—2. Scientific issues for the DOE weap ons complex cleanup: High-level waste and spent nuclear fuel. T. Fryberger

Section Β Convention Center Room 255 Origin of Elements in the Solar System: Implications of Post-1957 Observations Overview Cosponsored with Division of Geochemistry


Ο. Κ. Manuel, Organizer O. K. Manuel, S. Ramadurai, Presiding 8:30—Introductory Remarks. 8:45—3. State of stellar nucleosynthesis In 1999. G. Burbidge 9:35—Intermission.

JULY 26, 1999 C&EN 1 0 9

NUCL/TECHNICAL PROGRAM

10:00—4. Link of abundances and nuclear properties. P. K. Kuroda 10:30—5. Abundances in supernova 1987A and other supernova. R. A. Chevalier 11:00—6. Elemental abundances in the solar system: An historical perspective. J. W. Larimer 11:30—7. Astrophysical history of the solar system in the last 50 million years. M. N. Vahia, D. Lai

Section C Convention Center Room 227 • Scientific Basis, Regulatory Issues, and Litigation in Radioactive Waste Disposal: Current Problems, Experiences, and Examples Overviews and Technology Cosponsored with Division of Chemistry & The Law

A. Ehrlich, Organizer A. Ehrlich, P. Wong, Presiding 8:30—Introductory Remarks. 8:40—8. Radioactive waste disposal: Techni cal, regulatory, and legal challenges. K. D. Crowley 9:10—9. Radioactive red tape: How politics and overlapping federal and state jurisdic tions thwart sensible solutions to the grow ing problem of radioactive waste disposal. D. A. Codevilla 9:35—10. Nuclear waste generation, storage, and release at the Hanford site, Washing ton. R. Gephart 10:00—Intermission. 10:20—11. The science behind compliance. M. Lerchen, L. Huffman, J. Kovach, N. Welliver, K. Wiemers 10:45—12. Identification and measurement of radionuclides in HLW glass to meet a repository acceptance regulation. Ν. Ε. Bibler, T. L. Fellinger 11:10—13. Scientific basis for estimating ex pected health effects from low-radiation exposures. K. Czerwinski, M. Folkert, W. Thilly, E. Gostjeva 11:35—14. Potential of supercritical fluid pro cesses in the nuclear industry. C. Wai, N. Smart

SUNDAY AFTERNOON Section A Convention Center Room 244 A First Accomplishments of U.S. DOE Environmental Management Science Program Plenary Session Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

P. G. Eller, W. R. Heineman, Presiding 1:30—15. Environmental Management Sci ence Program, one facet of a balanced solution-based investment strategy. G. G. Boyd 2:00—16. Actinide behavior in neutral media. G. R. Choppin 2:45—Intermission. 3:00—17. Molecular-level processes govern ing the interaction of aqueous chromium with iron oxides. G. E. Brown Jr., S. A. Chambers, J. E. Amonette, D. A. Dixon, T. Kendelewicz, S. A. Joyce, J. R. Rustad, S. Thevuthasan, P. Liu, D. Grolimund, N. S. Foster-Mills, S. I. Yi 3:45—18. Use and abuse of analytical chem istry in environmental restoration. J. Janata

Section Β

1 1 0 JULY 26, 1999 C&EN

Convention Center Room 255 Origin of Elements in the Solar System: Implications of Post-1957 Observations Origin of Isotopic Irregularities Cosponsored with Division of Geochemistry

K. L. Kratz, Presiding 1:30—Introductory Remarks. 1:40—19. Isotope abundance anomalies in meteorites: Clues to the yields of individu al nucleosynthesis processes. U. Ott 2:20—20. Experimental studies related to s-process abundances. K. M. Wisshak, F. Voss, F. Kappeler, C. Arlandini 2:50—21. Strange xenon isotope ratios in Jupiter. K. Windier 3:10—Intermission. 3:30—22. Production and β-decay half-lives of very η-rich nuclei. M. Bernas 3:50—23. Isotope anomalies in tellurium in in terstellar diamonds. J. R. De Laeter, R. Maas, R. D. Loss, K. J. R. Rosman, R. S. Lewis, G. R. Huss, E. Anders, G. W. Lugmuir 4:20—24. Nuclear aspects of stellar and ex plosive nucleosynthesis. T. Rauscher 4:50—25. Abundances of hydrogen and heli um isotopes in Jupiter. A. Nolte, C. Lietz

Section C Convention Center Room 227 A Scientific Basis, Regulatory Issues, and Litigation in Radioactive Waste Disposal: Current Problems, Experiences, and Examples Waste Isolation Pilot Plant and Yucca Mountain Cosponsored with Division of Chemistry & The Law

M. Lerchen, J. E. Amonette, Presiding 1:30—26. WIPP actinide solubility model. L. H. Brush, R. C. Moore, S. J. Free, E. J. Nowak 1:55—27. Thermodynamic model for actinide-organic ligand interactions for the Waste Isolation Pilot Plant. R. C. Moore, L. H. Brush, S. J. Free, E. J. Nowak 2:20—28. Environmental Protection Agency regulatory framework as a contributing factor for certification of the Waste Isola tion Pilot Plant. K. M. Trauth, M. M. Gruebel 2:45—Intermission. 3:05—29. Resolution of radionuclide trans port issues at Yucca Mountain, Nevada. J. Bradbury 3:30—30. Yucca Mountain site characteriza tion project. C. E. A. Palmer 3:55—31. Public policy in nuclear-waste dis posal. A. C. Mignerey, C. L. Consiglio, C. A. Hein, S. T. Hewitt, C. J. Hsu, R. J. Kucner, M. H. Loh, N. C. Meenaghan, R. E. Michaud, S. W. Murphy, A. R. Patel, S. C. Reed, D. G. Rubin, P. J. Schwartz, M. E. Sheer, J. R. Starr III 4:20—Concluding Remarks.

SUNDAY EVENING Marriott Bissonet Poster Session • First Accomplishments of U.S. DOE Environmental Management Science Program Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, and Division of Industrial & Engineering Chemistry

L. Rao, A. H. Bond, Presiding 7:00-9:00 32. Fundamental thermodynamics of zirconolite, pyrochlore, and other refractory oxide components of the proposed waste form ceramic for actinides including excess weapons plutonium: A summary. Κ. Β. Helean, R. L. Putnam, A. Navrotsky, J. Boerio-Goates, B. F. Woodfield 33. Functionalized diphosphonic acid ligands for metal ion coordination in supercritical carbon dioxide. A. W. Herlinger, J. A. Griffith, D. R. McAlister, R. E. Barrans Jr. 34. Kinetics of the reduction of Pu(V) by hy drogen peroxide. A. F. Morgenstern, G. R. Choppin

35. Actinide behavior during sludge washing of alkaline radioactive wastes. K. L. Nash, A. H. Bond, M. P. Jensen, J. C. Sullivan, L. Rao 36. Tir-based spectroelectrochemical sensor for paraquat. M. R. Clager, W. R. Heineman, C. J. Seliskar 37. Small-volume remote spectroelectro chemical sensor. M. L. Stegemiller, W. R. Heineman, C. J. Seliskar, T. H. Ridway 38. In situ microanalyzers for metal contami nations. J. W. Wang, B. Tian, J. Wang 39. Environmental Management Science Program results transfer to Department of Energy cleanup activities. M. Mcllwain, D. Hale 40. Join the Division of Nuclear Chemistry & Technology. L. Rao, L. R. Morss 41. Transition metals' bioavailability to wheat: Interactions with cadmium and soil hu mâtes. F. Baraud, T. W-M. Fan, R. M. Higashi 42. Heavy-metal uptake and sequestration via plant chelator production. T. W. M. Fan, R. M. Higashi, A. N. Lane 43. Evaluating surfactant-enhanced nonaqueous phase (DNAPL) recovery using single-well "push-pull" tests. J. A. Field, J. D. Istok, M. Schroth, T. E. Sawyer, M. D. Humphrey 44. Probing interactions of biogenic ligands, complex inorganic mixtures, and humic substances that affect the bioavailability of Cd(ll) to plants. R. Higashi, T. Fan, F. Baraud, A. Lane 45. Degradation of trichloroethylene and carbon tetrachloride at iron oxides and basalt. J. C. Ingram, M. M. Cortez, D. L. Bates, M. O. McCurry 46. Induced sequestration of phenolic compounds by natural sorbents via Mn0 2 and oxidoreductase enzymes by coupling: Comparison of equilibrium and nonequilibrium systems. T. M. Keinath II, H. Selig, C. Y. Payne, J. W. Suh, W. J. Weber Jr. 47. Application of immunochemical methods for the analysis of polynuclear aromatic hydrocarbons in the environment. Q. X. Li, K. Li, S. Thomas, H. Li 48. Recommendations for improving the interim radionuclide soil action levels for the Rocky Flats Cleanup Agreement. B. R. Scott, M. D. Hoover, R. E. Neft, A. F. Fend 49. Radon-222 as a natural tracer for monitoring the remediation of NAPL contamination in the subsurface. M. G. Cantaloub, M. D. Humphrey, J. Istok, L. Semprini 50. Kinetic study of the oxidation of chromium(lll) hydroxide by hydrogen peroxide in basic solutions. C. A. Arrington Jr., G. M. Denison 51. Vibrational spectroscopy of the hydroperoxide anion. C. A. Arrington Jr., R. Lanning, D. Pond 52. Oxidative dissolution of chromium hydroxide by oxygen under hydrothermal conditions. S. J. Buelow, J. R. Robinson, Z. Y. Ding, B. R. Foy, T. Mosher, B. Buckley, R. E. Mclnroy 53. Thermochemical kinetic analysis of thermal pathways for oxidation of organic complexants in high-level wastes. D. M. Camaioni, T. Autrey 54. Changes in the local coordination structure about Ni 2+ , Cu 2+ , Sr2+, Rb+, and Br ions under hydrothermal conditions from in situ XAFS studies. J. G. Darab, M. M. Hoffmann, J. L. Fulton 55. Waste tank sludge simulation and radionuclide retention. J. L. Krumhansl, P. V. Brady, P. C. Zhang, S. G. Arthur, J. Liu 56. Immobilization of strontium during carbonate mineral formation coupled to microbial reduction of Fe(lll) oxide. M. R. Leonardo, V. K. Keith, F. G. Ferris, Ε. Ε. Roden 57. Performance evaluation of a fluid-based heavy noble gas concentration system. W. R. Russ, J. D. Valentine, D. O. Stuenkel, K. C. Gross 58. Deep oxidation of toxic organics by dioxygen: New environmental remediation pro cedures. A. Sen, C. N. Elia


59. Aging behavior and rhenium partitioning in simplified Hanford waste-tank sludges. B. Wakoff, K. L. Nagy 60. Hydroceramic waste forms made from metakaolinite and calcined sodium-bear ing waste: Preliminary studies. M. W. Grutzeck, D. D. Siemer, B. E. Scheetz, C. M. Jantzen 61. Spectroscopic study of the association of contaminant uranium with mild steel corro sion products. G. P. Halada, C. R. Clay ton, A. J. Francis, C. J. Dodge, J. B. Gillow 62. Ceramic studies relating to the use of monazite for actinide storage. R. M. Housley, P. E. D. Morgan, M. L. DeHaan 63. Ionizing radiation-induced catalysis on metal-oxide particles. C. H. F. Peden, Y. Su, J. L. Daschbach, T. B. Fryberger, Y. Wang, M. A. Henderson 64. Radiolytic effects on organic chemicals in high-level wastes. D. M. Camaioni, A. K. Sharma, J. C. Linehan, T. M. Orlando, N. Zevos, D. Meisel 65. Investigation of heavy noble gas solubili ty in trigliceride oils. K. C. Gross, W. R. Russ, J. D. Valentine, D. O. Stuenkel 66. Hydrogen production in the radiolysis of polyethylene. J. A. LaVerne, Z. Chang 67. Degradation of selected polycyclic aro matic hydrocarbons with Fenton's reagent. Z. Qiang, J. H. Chang, C. P. Huang 68. Electroslag remelting process studies for decontamination of stainless steels: Cur rent results. J. A. Van Den Avyle, M. A. Molecke, R. L. Williamson, D. K. Melgaard, U. B. Pal, W. P. Chemicoff, C. J. MacDonald, S. I. Bychkov, S. Podoynitsin, K. G. Kudinov 69. Effect of fine particles on foaming in radioactive-waste treatment. D. T. Wasan, A. D. Nikolov, S. K. Bindal 70. Phase selection, crystal structure, and durability of Cs-silicotitanates. M. L. Balmer, Y. Su, Ε. Bitten, A. Navrotsky, H. Xu, T. Nenoff 71. Electrocatalytic enrichment of isotopes of hydrogen in protio- and deuteroformate in oxidation reactions. G. M. Brown, P. M. Narula, F. V. Sloop, T. J. Meyer 72. Separation and speciation of organic complexants in DOE wastes using Η PLC on zirconia-based stationary phases and thermospray mass spectrometry. J. E. Caton, D. T. Bostick, G. A. Mabbott, P. W. Carr 73. Synergistic effects in the extraction of met al ions by mixtures of dialkylphosphoric acids and crown ethers. M. L. Dietz, A. H. Bond, R. Chiarizia, V. J. Huber, A. W. Her linger, B. P. Hay 74. Crown-ether-doped sol-gel sorbents for Sr2* separation. B. C. Fagan, T. L. Yost, L. R. Allain, Z. Xue, C. E. Barnes, S. Dai 75. Investigation of 2,3-dihydroxyterephthalamides and 3,4-dihydroxysulfonamides as actinide extractants. C. J. Gramer, N. S. Wieland, B. O'Sullivan, K. N. Raymond 76. Extraction of chlorinated aliphatic hydro carbons from groundwater for isotopic analysis of carbon and chlorine. B. D. Holt, N. C. Sturchio, L. J. Heraty 77. Polyvinylferrocence polymers as electroactive ion-exchange materials for separa tion of pertechnetate ion from high nitrate ion-containing wastes: Issues and synthet ic strategies. T. L. Hubler, G. M. Ander son, J. H. Sukamto, M. A. Lilga, S. D. Rassat 78. Ligand-grafted hydrophilic sol-gel sor bents for toxic metal separations. H-J. Im, Y. Yang, L. R. Allain, Z. Xue, C. E. Barnes, S. Dai 79. Direct molecular-imprinting approach to mesoporous sol-gel sorbents. Y. Ju, M. C. Burleigh, S. Dai, C. E. Barnes, Z. L. Xue 80. Evaluation of binding selectivities of caged crown ligands toward metal cations by using electrospray ionization quadrupole ion trap mass spectometry. A. P. Marchand, H-S. Chong, K. A. Kumar, S. Alihodzic, S. M. Blair, J. S. Brodbelt 81. Synthesis and alkali metal picrate extrac tion capabilities of novel, cage-functionalized, pyridine-containing crown ethers and cryptands. A. P. Marchand, H-S. Chong, S. Alihodzic, W. H. Watson, S. G. Bodige 82. Combined ionic exchange and ligand modification approaches to highly selec tive mesoporous silica. S. D. Waezsada, S. Dai, C. E. Barnes, Z. L. Xue 83. Extraction of cesium and strontium with supercritical fluid carbon dioxide. C. M. Wai

84. Syntheses of analogs of fluorofructose. M. Spassova, P. J. Kothari, W. G. Bornmann, R. D. Finn 85. INAA and PIXE analysis of CabornWelborn ceramics. J. Shergur, J. D. Rob ertson, D. Pollack 86. Realization of a uranium oxide standard material "BOLET" by impregnation. M. Crozet, V. Dubois, G. Lamarque, J. Delion

MONDAY MORNING Section A Convention Center Room 244 • First Accomplishments of U.S. DOE Environmental Management Science Program Actinides Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

M. P. Neu, A. R. Felmy, Presiding 8:30—87. Uranium aluminate speciation re lated to high-level waste tank remediation. S. F. Agnew, D. L. Clark, R. J. Donohoe, P. B. Duval, J. C. Gordon, D. W. Keogh, D. E. Morris, M. P. Neu, C. D. Tait 8:55—88. Structure and stability of actinides (U, Np, Pu) under strongly alkaline radio active waste tank conditions. M. P. Neu, D. L. Clark, S. D. Conradson, R. J. Dono hoe, J. C. Gordon, D. W. Keogh, D. E. Morris, R. D. Rogers, B. L. Scott, C. D. Tait 9:20—89. Displacement of Sr and trivalent actinides from strong organic chelates present in tank waste: Improved thermo dynamic models. A. R. Felmy, D. A. Dix on, M. J. Mason 9:45—90. Electrochemical and structural properties of actinide polyoxoanion com plexes. M. R. Antonio, L. Soderholm, C. W. Williams 10:10—Intermission. 10:20—91. Aqueous electrochemical mecha nisms in mediated dissolution of actinide residues. D. E. Morris, C. J. Burns, W. H. Smith, D. L. Blanchard Jr., T. Diaz 10:45—92. X-ray absorption fine structure spectroscopy determination of the binding mechanism of actinide surrogate anions to self-assembled monolayers on mesoporous supports. S. D. Kelly, Κ. Μ. Kemner, G. E. Fryxell, J. Liu, T. A. Hauser 11:10—93. Speciation of uranium and pluto nium in wasteform glasses by X-ray ab sorption fine structure spectroscopy. L. L. Davis, P. G. Allen, J. J. Bûcher, D. L. Caulder, I. M. Craig, J. G. Darab, Ν. Μ. Edelstein, H. Li, P. Liu, W. Lukens, H. Nitsche, L. Rao, D. K. Shuh, D. Strachan 11:35—94. Decontamination of uraniumcontaminated metallic surfaces with urani um recovery. A. J. Francis, C. J. Dodge, J. B. Gillow, G. P. Halada, C. R. Clayton

*


•

CATALYSIS

•


A

ENVIRONMENTAL ISSUES M MATERIALS •

PETROCHEMICALS

*


Section Β

MONDAY EVENING

MONDAY AFTERNOON


Section A

Section A

Origin of Elements in the Solar System: Implications of Post-1957 Observations Origin of Isotopic Irregularities


• First Accomplishments of U.S. DOE Environmental Management Science Cosponsored with Division of Geochemistry Program Separations M. W. Rowe, Presiding

8:30—Introductory Remarks. 8:40—95. Xenology, FUN anomalies, and the plutonium-244 story. P. K. Kuroda, W. A. Meyers 9:30—Intermission. 9:50—96. On the importance of experimental studies of neutron-rich nuclei to provide reliable input for r-process calculations. G. Lhersonneau, B. Pfeiffer, K. L. Kratz 10:20—97. Dependence of variations of iso topic ratios of molybdenum in iron meteor ites on nucleosynthesis. Q. Lu, A. Masuda 10:50—98. Neutron capture cross section measurements for the analysis of the s-process. R. S. Rundberg, M. M. Fowler, R. C. Haight, G. G. Miller, P. D. Palmer, E. H. Seabury, J. L Ullmann, J. B. Wilhelmy, P. Koehler, F. Kappeler 11:10—99. On the synthesis of the heaviest elements. P. J. Armbruster

Section C Convention Center Room 231 • Scientific Basis, Regulatory Issues, and Litigation in Radioactive Waste Disposal: Current Problems, Experiences, and Examples Radioactively Contaminated Sites: Cleanup Approaches and Risk Assessment Cosponsored with Division of Chemistry & The Law

K. D. Crowley, R. Gephart, Presiding 8:30—Introductory Remarks. 8:40—100. Chemical characterization of sol ubility and leaching controls on NRC site decommissioning management plan wastes. A. R. Felmy, V. L. LeGore 9:10—101. In situ radionuclide stabilization: Scientific basis for minimally invasive treatment techniques. J. C. Seaman, P. M. Bertsch 9:35—102. Monitored natural attenuation studies of radionuclides and heavy metals at the DOE's Savannah River Site. S. M. Serkiz, D. I. Kaplan, M. Findley, J. Emley, N. Bell, E. G. Topp 10:00—Intermission. 10:20—103. Assessing the environmental availability of uranium in soils and sedi ments. J. E. Amonette, G. R. Holdren, K. M. Krupka, C. W. Lindenmeier, A. B. Amonette 10:45—104. Impact of mineralogy in the U(VI)-Ca-P04 system on the environmen tal availability of uranium: Consequences for radioactive waste management. A. G. Sowder, S. B. Clark, R. A. Fjeld 11:10—105. Science in support of CERCLA: A case study at the Idaho National Envi ronmental & Engineering Laboratory. R. A. Fjeld, A. W. Elzerman, J. T. Coates, J. D. Navratil 11:35—106. Utility of chemical partitioning and speciation information in radioactive waste management decisions. S. B. Clark, S. M. Loyland, J. Navratil

Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

K. L. Nash, G. D. Jarvinen, Presiding 1:30—107. New anion-exchange resins for improved separations of nuclear materials. M. E. Barr, G. D. Jarvinen, S. F. Marsh, E. W. Moody, R. M. Chamberlin, R. A. Bartsch, W. Zhao 1:55—108. Cage-functionalized, nitrogencontaining macrocycles and podands: Po tential new host systems for extraction of NaOH from wastes. A. P. Marchand, H-S. Chong, A. S. McKim, K. Krishnudu, K. S. Ravikumar, V. S. Kumar, M. Takhi, B. A. Moyer, C. K. Chambliss, J. C. Bryan 2:20—109. Calix[4]arene crown-6 ethers: Recent developments in enhanced ces ium-selective extradants. R. A. Sachleben, B. A. Moyer, J. C. Bryan, T. J. Haverlock, N. L. Engel, B. Franconville, A. Urvoas 2:45—110. Use of carbonate and 1,2dihydroxy-3,5-benzenedisulfonic acid as ligands for removal of Th(IV) and U(VI) from water with ligand-modified polyelectrolyte-enhanced ultrafiltration. U. Dharmawardana, S. D. Christian, R. W. Taylor, J. F. Scamehorn, C. E. A. Pal mer, D. C. Hoffman 3:10—Intermission. 3:20—111. Removal of pertechnetate anions from simulated aqueous radioactive tank wastes using supported zero-valent iron. J. G. Darab, A. B. Amonette, R. D. Orr, D. S. Burke, S. M. Ponder, T. E. Mallouk, D. L Caulder, P. Liu, W. W. Lukens, I. M. Craig, L. Rao, J. J. Bûcher, N. M. Edelstein, D. K. Shuh 3:45—112. Use of inorganic ion exchangers for nuclear waste remediation and industrial separations. A. Clearfield, P. Sylvester, E. Bluhm, A. Bortun, L. Bortun 4:10—113. Synthesis, characterization, ion exchange, and ion selectivity of novel microporous Cs0 0 .5-NaOo.5-Si02-Ti0 2 -XH 2 0 (X = transition-metal oxides) materials. T. M. Nenoff, M. D. Nyman, M. L. Balmer, Y. Su, A. Navrotsky, H. Xu 4:35—114. Heterogeneous extractions using supercritical carbon dioxide. T. M. McCleskey, E. R. Bimbaum, D. L. Apodaca

Convention Center Exhibit Hall A Sci-Mix A First Accomplishments of U.S. DOE Environmental Management Science Program Cosponsored with Division of Industrial & Engineering Chemistry

L. R. Morss, Presiding 1. See previous listing.

Section Β Convention Center Room 244 G. T. Seaborg Memorial

Ο. Κ. Manuel, Organizer P. J. Armbruster, Ο. Κ. Manuel, Presiding 8:00—Introductory Remarks. 8:10—121. Glenn T. Seaborg. P. J. Arm bruster

TUESDAY MORNING Section A Convention Center Room 244 A First Accomplishments of U.S. DOE Environmental Management Science Program Analytical Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

C. W. Wilkerson Jr., R. E. Russo, Presiding

8:30—122. Metal-ion analysis using fluorophore-tagged metal complexation ligands and the "laboratory-on-a-chip." G. E. Col lins, Q. Lu 8:55—123. Molecular imprinting on sol-gel materials. S. Dai, Μ. Ο Burleigh, Y. H. Ju, S. D. Waezsada, Z. L. Xue, C. E. Barnes 9:20—124. Cation-π interactions in antibody binding of polynuclear aromatic hydrocar bons. J-L. Pellequer, B. Zhao, H-l. Kao, A. E. Karu, V. A. Roberts 9:45—125. Modeling micro-hotplate chemi cal gas sensors. T. J. McAvoy, J. Ding, R. Adomaitis, S. Semancik, R. Cavicchi 10:10—Intermission. Section Β 10:20—126. Microarrays as platforms for gas microsensor development and efficient Convention Center materials research. S. Semancik, R. E. Room 255 Cavicchi, R. M. Walton, J. S. Suehle 10:45—127. Synthesis of 1,3-alternate Origin of Elements in the Solar System: calix[4]-di(anthrylmethyl)aza-crown-6: A Implications of Post-1957 Observations highly selective optical sensor for cesium. Origin of Elemental and Isotopic R. Dabestani, H-F. Ji, G. M. Brown Irregularities 11:10—128. Calix[4]arene-based Cs + selec tive optical sensor. H-F. Ji, G. M. Brown, Cosponsored with Division of Geochemistry R. Dabestani G. Burbidge, Presiding 11:35—129. Electrochemical corrosion stud ies in high-temperature subcritical and su 1:30—Introductory Remarks. percritical aqueous environments. S. N. 1:40—115. Condensation and fractionation Lvov, X. Y. Zhou, X. Wei, S. M. Ulyanov, of the elements in the solar nebula. J. W. D. D. Macdonald Larimer 2:30—116. Heterogeneous accretion of the Section Β Η chondrite parent body. S. F. Wolf, M. E. Convention Center Lipschutz Room 255 2:50—117. Elemental and isotopic variations in noble gases. B. Li, J. T. Lee Origin of Elements in the Solar System: 3:10—Intermission. Implications of Post-1957 Observations 3:30—118. Nucleosynthesis: Probing the Age Dating early universe. V. E. Viola 4:00—119. Possible role of pep weak inter Cosponsored with Division of Geochemistry actions in the early history of Earth. T. E. M. N. Vahia, Presiding Ward 4:30—120. Indication of earlier condensates 8:30—Introductory Remarks. from a solar-composition gas. Y. Xie 8:40—130. Chronology of early solar system


events: Dating with short-lived nuclides. J. N. Goswami 9:30—Intermission. 9:50—131. Measurement of the " T i half-life and its significance for supernova explo sions. I. Ahmad, J. P. Greene, W. Kutschera, M. Paul

JULY 26, 1999 C&EN 1 1 1

NUCL/ORGN/TECHNICAL PROGRAM

10:20—132. On the half-life of " T i in young supernova remnants. E. B. Norman, E. Browne 10:50—133. Abundance of 182Hf and the sin gle supernova model of the solar system. S. Ramadurai 11:10—134. Extinct Pu-244 in meteorites: Chronology of early solar system informa tion. M. W. Rowe 11:35—135. Search for natural Pu-244 in deep-sea sediment: Progress report. K. Sakamoto, Y. Hashimoto, T. Nakanishi

Section C Convention Center Room 227 Creating Young Nuclear Chemists Cosponsored with Younger Chemists Committee

H. Hall, K. Boering, Organizers, Presiding 8:30—Introductory Remarks. 8:40—136. ACS Division of Nuclear Chemis try & Technology's "Summer Schools in Nuclear and Radiochemistry." P. A. Baisden 9:10—137. Twenty-five years of the Summer Schools in Nuclear Chemistry. W. F. Kinard 9:40—138. DOE/ACS Summer School at Brookhaven National Laboratory. J. T. Boger 10:10—Intermission. 10:30—139. Actinide Sciences Summer School Program at LLNL. L. J. Terminello 11:00—140. Nuclear chemistry in context: A multimedia approach. S. J. Yennello 11:30—141. OMEGA gas-sampling system and radiochemical diagnostics for Ν IF. M. A. Stoyer, G. B. Hudson, R. W. Lougheed, Τ. Ο Sangster

TUESDAY AFTERNOON Section A Convention Center Room 244 A First Accomplishments of U.S. DOE Environmental Management Science Program Analytical Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

R. Hirsch, M. J. Sepaniak, Presiding 1:30—142. Novel spectroelectrochemical sensor for ferrocyanide in Hanford waste simulant. C. J. Seliskar, A. Slaterbeck, Y. Shi, M. Maizels, S. Ross, M. Stegemiller, T. H. Ridgway, W. R. Heineman, S. A. Bryan 1:55—143. Strategies to immobilize chemi cally selective reagent phases to enhance microsensor performance. M. Sepaniak, T. Gibson, H. Jeremy, T. Christopher, D. Panos 2:20—144. Influence of film preparation on the selectivity of thin films of nickel hexacyanoferrate. K. M. Jeerage, M. Lukman, D. T. Schwartz 2:45—145. Mass spectrometric fingerprinting of tank wastes using tunable, ultrafast in frared lasers. D. R. Ermer, R. F. Haglund Jr, M. R. Papantonakis, M. Baltz-Knor, W. P. Hess 3:10—Intermission. 3:20—146. Real-time broad spectrum char acterization of hazardous waste by mem brane introduction mass spectrometry. C. W. Wilkerson Jr., P. H. Hemberger, M. E. Cisper, T. M. Allen 3:45—147. Improving direct characterization of solid-waste forms using laser ablation with inductively coupled plasma mass spectrometry. R. E. Russo, O. V. Borisov, X.Mao 4:10—148. Analysis and decontamination of concrete by laser ablation. M. Savina, Y. Wang, Z. Xu, C. Reed, M. Pellin 4:35—149. Detection of analytes using adsorption-induced and photoinduced stress in semiconductor microstructures. P. Datskos, M. J. Sepaniak

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JULY 26, 1999 C&EN

Section Β Convention Center Room 255 Origin of Elements in the Solar System: Implications of Post-1957 Observations Age Dating and Production of Nuclei Cosponsored with Division of Geochemistry

V. E. Viola, Presiding 1:30—Introductory Remarks. 1:40—150. Astrophysical r-process: From B2FH to FK2L. K. L. Kratz, P. Moeller, F. K. Thielemann 2:30—151. Isotopic record of early solar sys tem processes in iron meteorites. E. C. Al exander Jr. 3:00—152. Decay of 19 N. D. W. Anthony, D. J. Morrissey, P. Lofy, P. F. Mantica Jr., J. I. Prisciandaro 3:20—Intermission. 3:40—153. Ce-Nd-Sr isotope systematics of a terrestrial rock, the eucrite Millbillie and lunar samples. M. Tanimizu, T. Tanaka 4:05—154. Measuring the astrophysical rate of the 21Na(p, y)2?Mg reaction. N. Bateman, J. M. D'Auria 4:35—155. Role of the η = 28 and η = 40 closed shells in the production of neutronrich Ca-Ti-Cr-Fe-Ni elements in the uni verse. O. Sorlin

Section C Convention Center Room 227 Creating Young Nuclear Chemists Cosponsored with Younger Chemists Committee

H. Hall, K. Boering, Organizers, Presiding 1:30—156. Conversing with the nuclei: Mag netic resonance and spin radial distribu tion functions. Κ. Τ. Mueller 2:00—157. Techniques in nuclear spectros copy. J. Pfohl 2:30—158. β-Decay studies of neutron-rich nuclides near the η = 40 subshell closure. J. I. Prisciandaro, P. F. Mantica Jr., M. Huhta, A. M. Oros-Peusquens, D. W. An thony, P. A. Lofy, R. M. Ronningen, W. B. Walters 3:00—Intermission. 3:20—159. Half-life measurement for the rpprocess waiting point nuclide 80Zr. J. J. Ressler, W. B. Walters, M. Wiescher, A. Aprahamian 3:50—160. The war for talent: Career oppor tunities outside traditional chemistry. A. C. Veeck 4:20—Concluding Remarks.

WEDNESDAY MORNING Section A Convention Center Room 244 • First Accomplishments of U.S. DOE Environmental Management Science Program Physical Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

D. Meisel, P. E. Haustein, Presiding 8:30—161. Fundamental investigations of the remediation of trace element contami nants in aqueous solution by zero-valent iron. J. A. Yarmoff, S. R. Qiu, H-F. Lai, C. Amrhein, M. J. Roberson, M. Hunt 8:55—162. Radiolytic effects in homogeneous and heterogeneous high-level simulants. D. Meisel, D. M. Camaioni, T. Orlando 9:2fJ—163. Interaction of water vapor with uranium oxide surfaces. M. N. Hedhili, B. V. Yakshinskiy, R. Dobrozemsky, S. R. Qiu, J. A. Yarmoff, T. E. Madey 9:45—164. Characterization of colloidal phases in tank wastes. J. Liu, G. Lummeta, J. W. Virden, G. L Graff, B. C. Bunker, J. L Krumhansl 10:10—Intermission. 10:20—165. 3-D mathematical model of ra dioactive waste glass melter. P. Schill

10:45—166. Fluorescence spectroscopic study of gadolinium in sodium-aluminoborosilicate glass. Z. Wang, H. Li, L. Li, A. G. Joly, D. M. Strachan, M. Qian, L. L. Davis, J. G. Darab 11:10—167. Spectroscopic studies of f-elements in silicates. Z. Assefa, R. G. Haire, N. A. Stump 11:35—168. Radiation-induced formation and decay of peroxynitrite in solid alkali ni trates. S. V. Lymar, E. N. Yurchenko, O. V. Gerasimov, J. F. Wishart

Section Β Convention Center Room 255 Origin of Elements in the Solar System: Implications of Post-1957 Observations The Sun and Other Stars Cosponsored with Division of Geochemistry

M. Ebihara, Presiding 8:30—Introductory Remarks. 8:40—169. Observations with the Hubble Telescope. A. Frank 9:30—Intermission. 9:50—170. Rapid proton captures in the atmo sphere of accreting neutron stars. H. Schatz, L. Bildsten, A. Cumming, M. Wiescher 10:20—171. Miniblackhole at the solar cen ter and isotopic abundances in the primi tive solar nebula. S. Ramadurai 10:50—172. On the origin of excess 15N in the solar wind. Ο. Κ. Manuel 11:10—173. Solar cosmic-ray (SEP) interac tions in regolith breccias and carbona ceous chondrites. M. N. Rao 11:35—174. Heterogeneous accretion of the sun and the inner planets. G. Hwaung


4:10—181. Nuclear-stimulated desorption at the surfaces of model SNF materials: Experiments and computer simulations. P. E. Haustein 4:35—182. Etching of refractory metals using a novel atmospheric pressure plasma. J. Park, I. Henins, G. S. Selwyn, J. Y. Jeong, V. Tu, R. F. Hicks

Section Β Convention Center Room 255 Origin of Elements in the Solar System: Implications of Post-1957 Observations The Sun and Other Stars Cosponsored with Division of Geochemistry

H. Schatz, Presiding 1:30—Introductory Remarks. 1:40—183. Solar abundances and the stan dard solar model. N. Grevesse, A. J. Sau vai 2:30—184. Critical evaluation of CI chon drites as the solar system standard of ele mental abundances. M. Ebihara, K. Shinotsuka, H. Ozaki, X. Kazunori, X. Hiromasa 3:00—Intermission. 3:15—185. Sensitivity of solar oscillation fre quencies to element abundances and com position gradients. J. A. Guzik, C. Neuforge 3:45—186. Inverse and forward helioseismology: Supplementary and complimenta ry approaches to understanding the interi or composition and structure of the pres ent sun. C. A. Rouse 4:15—187. Possible binary origin of the solar system. M. N. Vahia 4:40—188. Birth of planetary systems direct ly from supernovae. G. M. Brown

THURSDAY MORNING

Convention Center Room 244 A First Accomplishments of U.S. DOE Environmental Management Science Program Materials Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

C. J. Seliskar, D. L. Caulder, Presiding 1:30—175. Alkali-hydrogen exchange reac tions between Na-AI-Si glass and water at high values of chemical affinity: Implica tions for waste-disposal media. J. P. Icenhower, B. P. McGrail, T. Thevuthasan, M. Engelhard, J. G. Darab, D. R. Baer, D. K. Shuh 1:55—176. Functionalized mesoporous silica sorbents for the selective removal of copper(ll) from aqueous solutions. M. C. Bur leigh, S. Dai, Z. L. Xue, C. E. Barnes 2:20—177. Chemistry and hydrodynamics of spinel settling in molten glass. P. Hrma, P. Izak, J. Klouzek, M. Mika, L. Nemec, P. Schill 2:45—178. Optical spectroscopic study of neodymium in sodium-alumino-borosilicate glasses. L. Li, H. Li, D. M. Strachan, M. Qian, L. L. Davis, J. G. Darab, Z. Wang 3:10—Intermission. 3:20—179. Nonisothermal crystallization of spinel from a high-level waste feed. P. Izak, P. Hrma, M. J. Schweiger 3:45—180. Speciation of hafnium in peralkaline and peraluminous wasteform glasses using EXAFS spectroscopy. D. L. Caul der, P. G. Allen, J. J. Bûcher, I. M. Craig, J. G. Darab, L. L. Davis, N. M. Edelstein, H. Li, L. Li, P. Liu, W. Lukens, H. Nitsche, L. Rao, D. K. Shuh, D. Strachan


Section A Convention Center Room R01 A First Accomplishments of U.S. DOE Environmental Management Science Program Geo/Biochemical Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

C. C. Ainsworth, M. Trehy, Presiding 8:00—189. Plutonium speciation and its ef fects on environmental migration. M. P. Neu, W. H. Runde, D. L. Clark, S. D. Conradson, D. W. Efurd, D. R. Janecky, J. P. Kaszuba, C. D. Tait, R. G. Haire 8:25—190. Hanford sediment Cs exchange in the presence of high [OH] and nitrate concentrations. C. C. Ainsworth, J. M. Zachara, K. Wagnon 8:50—191. Sustained bacterial reduction of Co(lll)EDTA in the presence of competing geochemical oxidation during dynamic flow. S. C. Brooks, S. L. Carroll, P. M. Jardine 9:15—192. Mechanism of electro-osmotic flow in soils. J-H. Chang, Z. Qiang, C. P. Huang 9:40—Intermission. 9:50—193. Pseudomonas fluorescens and uranyl mobility in the subsurface. R. Bencheikh-Latmani, J. O. Leckie 10:15—194. Rapid turnover of microbial indi cator species in polluted groundwater dur ing bioremediation. D. C. Brown, M. L. Lowe, R. Holley-Shanks, D. Maeder, Y-H. Rogers, F. Brockman, F. T. Robb 10:40—195. Mechanisms and enhancement of plant metabolism of chlorinated hydro carbons. S. E. Strand, S. Doty, X. Wang, T. Shang, L. A. Newman, M. P. Gordon 11:05—196. Migration and entrapment of DNAPLs in chemically heterogeneous aquifer environments. S. A. Bradford, L. M. Abriola, A. H. Demond, D. L. Lord

Section B

Section Β



Origin of Elements in the Solar System: Implications of Post-1957 Observations Summary

Origin of Elements in the Solar System: Implications of Post-1957 Observations Cosponsored with Division of Geochemistry

Cosponsored with Division of Geochemistry

L. R. Morss, Organizer,

J. N. Goswami, J. W. Larimer, Presiding

1:30—Introductory Remarks. 1:45—207. Ascertaining the origin of ele ments in the solar system: Now where to look and what to measure. R. G. Downing 3:30—208. Future of NASA's space science program. C. B. Pilcher 4:20—Concluding Remarks.

9:00—Introductory Remarks. 9:10—197. Bipolar outflows and the evolu tion of stars. A. Frank 10:00—Intermission. 10:15—198. Chemical and isotopic irregular ities in the solar system. Ο. Κ. Manuel

Presiding


Section A Convention Center Room R01 • First Accomplishments of U.S. DOE Environmental Management Science Program Inorganic Cosponsored with Division of Analytical Chemistry, Division of Environmental Chemistry, Division of Industrial & Engineering Chemistry, and Division of Physical Chemistry

W. W. Lukens Jr., N. G. Petrik, Presiding 1:00—199. Chemistry of reduced technetium in base. W. W. Lukens, P. G. Allen, J. J. Bûcher, N. M. Edelstein, D. Κ. Shuh 1:25—200. Development of synthetic strate gies for the preparation of Tc complexes potentially relevant to tank waste and of methodology to immobilize Tc on solid supports. C. J. Burns, M. G. Fickes, B. L. Scott 1:50—201. Fundamental chemistry, charac terization, and separation of technetium complexes in Hanford waste. J. G. Ber nard, N. C. Schroeder, D. L Clark, K. R. Ashley, D. L Blanchard Jr., S. D. Conradson 2:15—202. Measuring and modeling the sol ubility of Cr(lll) compounds in concentrat ed NaOH and NaOH/NaN0 3 solutions: Application to pretreatment of high-level waste sludges. D. Rai, L. Rao, A. R. Felmy, N. J. Hess 2:40—Intermission. 2:50—203. In situ XAFS studies of reacting hydrothermal solutions that are relevant to the treatment of the Hanford tank wastes. M. M. Hoffmann, J. G. Darab, J. L. Fulton 3:15—204. Interfacial radiolysis effects rele vant to spent nuclear fuel and mixed radio active waste storage. T. M. Orlando, N. G. Petrik, D. M. Camaioni, S. C. Marschman 3:40—205. Environmental applications of selfassembled monolayers on mesoporous supports. G. E. Fryxell, T. S. Zemanian, Y. Lin, J. Liu, J. C. Bimbaum, K. Alford, T. A. Hauser 4:05—206. Ferragels: Supported zero-valent iron as a remédiant for aqueous metal ion wastes. S. M. Ponder, B. Schrick, N. I. Kovtyukhova, J. G. Darab, T. E. Mallouk


•

CATALYSIS

•


•


• *

PETROCHEMICALS PHARMACEUTICALS, MEDICINE & BIOLOGICAL CHEMISTRY

10:20—28. Nitration and new energetic ma terials. S. G. K. Prakash, G. A. Olah 11:10—29. Symbiotic chemistry of aliphatic and heterocyclic nitrocompounds. V. V. Semenov, A. A. Gakh 12:00—Concluding Remarks. Organic and Inorganic Synthesis via Boranes cosponsored with Division of Inorganic Chemistry (see page 98)

SUNDAY AFTERNOON Section A Convention Center La Nouvelle Ballroom A/B Legacy of Sir Derek Barton

Section C

THURSDAY AFTERNOON

*

10:30—10. Crystal engineering of diolefin packing and polymerization through the use of charge-transfer interactions. T. Hanks, M. Warmoth, J. Elliott, R. Bailey, W. Pennington 10:50—11. Solid-phase synthesis of pyrrolo[3,4-b]pyridines, benzo[c][2,7]naphthyridine5(6H)one, and related pyridine-fused heterocycles. A. Bhandarl, B. Li, M. Gallop 11:10—12. Fast scale-up using solid-phase chemistry. S. P. Raillard, G. Ji, A. D. Mann, T. A. Baer 11:30—13. Development and application of a poly(ethylene glycol)-supported triarylphosphine reagent: Expanding the sphere of liquid-phase organic synthesis. F. Sieber, P. Wentworth Jr., J. D. Toker, K. D. Janda

ORGN

Molecular Recognition, Host-Guest, Receptors, and Self-Assembly R. L. Halcomb, S. Mallik,

DIVISION OF ORGANIC CHEMISTRY S. S. Hall, Program Chair

SOCIAL EVENTS: Tetrahedron Prtzs Reception, Mon A. C. Cope Awards Reception, Tue BUSINESS MEETING: Sun

SUNDAY MORNING Section A Convention Center La Nouvelle Ballroom A/B Legacy of Sir Derek Barton

P. D. Magnus, A. K. Ganguly, Organizers B. Willis, J. Wright, Presiding 8:20—Introductory Remarks. B. Willis 8:30—1. Progress and problems in stereocontrolled synthesis. G. Stork 9:20—2. New strategies for the stereoselec tive synthesis of highly functionalized cy clic systems: Total synthesis of a new powerful inhibitor of tubulin polymerization. L. Ghosez 10:10—3. Discovery of SCH 66336: A novel anticancer agent. A. K. Ganguly 11:00—Introductory Remarks. J. Wright 11:05—4. Progress toward the total synthe sis of eveminomicin 13,384-1. K. C. Nlcolaou, H. J. Mitchell, R. M. Rodriguez Sarmiento, K. C. Fylaktakidou, H. Suzuki, O. J. Baudoin 11:55—Concluding Remarks. J. Wright Section Β

Organizer

Presiding

8:00—14. Protein recognition using transi tion-metal complexes. S. Mallik, B. C. Roy, M. A. Fazal, S. Sun 8:20—15. Peptide-anchored amphiphilic fullerenes for stable Langmuir-Blodgett films. P. Tundo, A. Perosa, M. Selva, L Valli 8:40—16. β-Sheet dimers from backbonesubstituted D,L-cyciopeptides. M. P. Isler, J. Sànchez-Quesada, M. S. Vollmer, M. R. Ghadiri 9:00—17. Amino acid derivatives in β-cyclodextrin: Structure and dynamics. J. L. Clark, J. M. Alexander, T. J. Brett, J. J. Stezowski 9:20—18. Solid-state photochemical reac tions in supramolecular systems: Structur al studies of β-cyclodextrin complexes with various coumarins. T. J. Brett, J. M. Alex ander, J. L. Clark, G. S. Harbison, J. J. Stezowski 9:40—19. Convergent functional groups: In tramolecular acyl transfer through a 34membered ring. J. Rebek Jr., C. M. Rojas 10:00—20. Selective membrane transport of terephthalate salts using a bis(crown) carrier. B. D. Smith, S. J. Gardiner, L. A. Banaszynski 10:20—21. Mechanically interlocking auxilia ries: The synthesis of "impossible" mole cules. D. A. Leigh, S. M. Lacy, S. G. Stitchell, A. M. Wood 10:40—22. Thermodynamic template-dir ected synthesis of dynamic rotaxanes by imine exchange. J. F. Stoddart, S. J. Rowan 11:00—23. Rotaxane formation under ther modynamic control. J. F. Stoddart, S. J. Cantrill, S. J. Rowan 11:20—24. Rotaxane formation with a binaphthyl-derived crown ether. J. F. Stod dart, A. M. Heiss, S. J. Cantrill, M. C. T. Fyfe, A. J. P. White, D. J. Williams 11:40—25. Process of self-assembly: Pro posed mechanism for the growth of organ ic thin films with a directional order by mo lecular beam deposition. C. Cai, Y. Tao, M. Boesch, B. Mueller, A. Kuendig, C. Bosshard, I. Biaggio, P. Guenter


Section D

Solid-Phase and Solution-Phase Syntheses and Techniques


R. L. Halcomb,

Organizer

L. S. Kallander,

Presiding

M Civilian Applications of Chemistry of Organic Nitrocompounds: A Russian-American Symposium

8:50—5. New reactions on non-cross-linked polystyrene support. E. Enholm, J. S. Lombardi, Μ. Ε. Gallagher, Κ. Μ. Moran, J. P. Schulte 9:10—6. Non-cross-linked polymer-support ed allylstannane reagent. M. E. Gallagh er, E. J. Enholm, K. M. Moran, J. S. Lom bard!, J. P. Schulte 9:30—7. Acetal chemistry on a non-crosslinked polystyrene support. J. S. Lombardi, E. J. Enholm 9:50—8. Phase-transfer catalysis between two solid phases: Reduction of aryl nitro groups on solid support. A. Hari, B. L. Miller 10:10—9. Ytterbium(lll) triflate-catalyzed tan dem cyclization reaction: Application in solid-phase synthesis. W. Xie, W. Zhang, P. G. Wang

A. A. Gakh, S. Mallik, Organizers, Presiding 8:30—Introductory Remarks. 8:40—26. Computer molecular design of tar get nitrocompounds. T. S. Pivina, N. S. Zefirov 9:30—27. Trinitrotoluene: A destructive sub stance or creative molecule? V. A. Tartakovsky, S. A. Shevelev, L. A. Rusanov

J. Wright, S. W. McCombie, Presiding 1:00—Introductory Remarks. J. Wright 1:05—30. Studies on the synthesis of antitu mor indole alkaloids. P. D. Magnus 1:50—31. A good drug is hard to find, a per fect one takes longer. R. N. Young 2:35—Introductory Remarks. S. W. McCombie 2:40—32. Penicillin biosynthesis. J. E. Bald win 3:25—33. Some recollections of Bartonian chemistry. S. Z. Zard 4:10—34. Genetically programmed synthesis of natural products. A. I. Scott 4:55—Concluding Remarks. S. W. Mc Combie

Section Β Convention Center Room R02-R03 Synthetic Organic Chemistry for the 21st Century Cosponsored with Younger Chemists Committee

J. M. Schwab, Organizer, Presiding 1:10—Introductory Remarks. 1:15—35. New olefin carbonylation reactions for organic synthesis. J. L. Leighton 2:00—36. Transition-metal-catalyzed ap proaches to structurally diverse phos phorus- and sulfur-containing motifs. P. R. Hanson, J. M. Dougherty, D. A. Probst, R. E. Robinson, K. R. Sprott, D. S. Stoianova 2:45—37. Iterative approaches to fused ether natural products. J. D. Rainier, S. P. Allwein, J. Cox, H. Wang 3:30—38. Total synthesis of the antitumor agent mucocin using a temporary silicontethered, ring-closing metathesis crosscoupling reaction. P. A. Evans, V. S. Murthy 4:15—39. Asymmetric catalysis with "planarchiral" heterocycles. G. C. Fu 5:00—Concluding Remarks. Section C Convention Center Room R04-R05 M Anisotropic Organic Materials Crystals and Polymers R. Glaser, P. Kaszynski, R. Glaser,

Organizers

Presiding

1:10—Introductory Remarks. 1:15—40. Organic and organic-inorganic hy brid materials for nanophotonics: Nanoscale optical science and technology. P. N. Prasad, M. Lai, C. Friend, A. Biswas, J. Swiatkewicz, K. Kim, S. J. Chung, J. Winiarz, D. Jakubczyk, Y. Shen, L. Levy, T. C. Lin 2:00—41. Fabrication of organic microcrystals: Their optical properties and applica tions. H. Oikawa, H. Kasai, H. Nakanishi 2:45—42. Novel small-molecule and macromolecular efficient light-emitting materials. F. Wudl 3:30—43. Characterization of nonlinear opti cal materials for photonic application. W. Haase, S. Grossmann, T. Weyrauch 4:15—44. Photoinduced multipolar anisotropy: From nonlinear optics as a goal to non linear optics as a tool. J. Zyss, S. Brasselet, I. Ledoux, E. Toussaere 5:00—Concluding Remarks.


JULY 26, 1999 C&EN

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ORGN/TECHNICAL PROGRAM

Section D

S U N D A Y EVENING


Section A

M Civilian Applications of Chemistry of Organic Nitrocompounds: A Russian-American Symposium A. A. Gakh, S. Mallik,

Presiding

1:20—Introductory Remarks. 1:25—45. Chemical conversion of energetic materials to higher value products. A. R. Mitchell, M. D. Coburn, R. D. Schmidt, P. F. Pagoria, G. S. Lee 2:00—46. New methods in the synthesis of nitrosubstituted heterocyclic compounds. P. F. Pagoria, G. S. Lee, R. 0. Schmidt, A. R. Mitchell 2:35—47. Synthesis and chemical transfor mations of some nitrobenzoazoles. A. V. Samet, V. N. Marshalkin, V. V. Semenov, A. C. Buchanan III, A. A. Gakh 3:10—48. Nitro-1,2-benzoisothiazolesand isothiazolones from polynitroaromatic com pounds and related chemistry. S. G. Zlotln, E. A. Serebryakov, P. G. Kislitsin, L D. Konyushkin, V. V. Semenov, A. C. Buchanan III, A. A. Gakh 3:45—49. Observations on the practicality of nitroazines as energetic materials. R. D. Chapman, J. W. Fronabarger, W. S. Wil son, L. H. Merwin, G. S. Ostrom 4:20—50. Oxidation with aqueous nitric acid: From technology development to pilot-scale process optimization. A. Astrat'ev, V. Marchukov, V. Suschev, A. Aleksandrov 4:55—Concluding Remarks. Section Ε Convention Center La Nouvelle Ballroom C Saccharides, Oligosaccharides, Cell-Surface Recognition, Fatty Acids, and Lipids R. L. Halcomb, R. M. Black,

Organizer

Presiding

1:30—51. Solution dynamics of cellulose oli gomers. L. A. Flugge, G. Walford-Thies, J. M. Owens, P. A. Petillo 1:50—52. Synthesis of two hyaluronan trisaccharides. B. K. S. Yeung, P. A. Petillo 2:10—53. Synthesis of multivalent carbohy drate architectures with intersaccharide carbamate linkages. P. Y. Chong, P. A. Petillo 2:30—54. Synthesis of carbohydrate-based ligands designed to bind gp120. D. M. Scofield, J. Gervay 2:50—55. Conformational potential surface of the pyranose ring and its role in the re activity of glycosylate reactions. A. Berc es, D. Whitfield, T. Nukada 3:10—56. Carbohydrate sulfotransferase in hibition: Directed libraries and rational de sign as tools for inhibitor discovery. J. I. Armstrong, A. R. Portley, D. M. Nierengarten, B. N. Cook, K. G. Bowman, C. R. Bertozzi 3:30—57. Exploiting differences in sialoside expression for selective targeting of MRI contrast reagents. G. A. Lemieux, K. J. Yarema, C. L. Jacobs, C. R. Bertozzi 3:50—58. Synthesis of carbocyclic D-fructofuranoid. Y. ΑΙ-Abed, M. Seepersaud, R. Bucala 4:10—59. Total synthesis of a 9-hydroxy-13oxotridec-11-enoate (HOT-PC) of 2-lysophosphatidylcholine. Y. Deng, R. G. Salomon Organic and Inorganic Synthesis via Boranes cosponsored with Division of Inorganic Chemistry (see page 98)

1 1 4 JULY 26, 1999 C&EN

Hilton Riverside Grand Salon C/D Selected State-of-the-Art Organic Chemistry Posters, Including Symposia Posters Practical, Scalable Syntheses, Stereoselective Reactions and Syntheses, Total Syntheses of Complex Molecules, Alkaloids, Antibiotics, Antimicrotubules, and Natural Products R. L. Halcomb, Organizer,

Presiding

6:00-8:00 60. Reactions of 4,6-dinitro-1,2-benzoisothiazoles and isothiazolones with /V-nucleophiles. S. G. Zlotin, P. G. Kislitsin, A. I. Gerasyuto, L. D. Konyushkin 61. Convenient synthesis of aminopyridones from nitroacetamide. V. P. Kysliy, A. V. Samet, V. V. Semenov 62. Catalytic nitration by nitrogen oxides in the nitric acid solutions. A. A. Astrat'ev, V. Suschev 63. Novel routes to C ^ " and bimetallic fullerides. M. C. Baird, D. M. Thompson, M. N. Bengough, G. D. Enright 64. Synthesis of a C44H26 hydrocarbon with the carbon framework represented on the surface of C 60 by nonpyrolytic method. K. K. Wang, H-R. Zhang 65. High-yield, nonpyrolytic synthesis of corannulene. A. Sygula, P. W. Rabideau 66. Synthesis, spectral characterization, and biological applications of lysosensor yellow/blue, a novel fluorescent acidotropic probe. Z. Diwu, C-S. Chen, C. Zhang, D. H. Klaubert, R. P. Haugland 67. Dehydrobenzoannulene-dimethyldihydropyrene hybrids: Spectroscopic probes for the study of weakly diatropic macrocycles. M. M. Haley, D. B. Kimball, R. H. Mitchell, T. R. Ward 68. Control of structure formation of 1,3,5triazines through intermolecular hydrogen bonding and CT interactions. D. Janietz, D. Goldmann, C. Schmidt, J. H. Wendorff 69. Highly dipole-parallel-aligned organic mo lecular crystals: Design and realization of prototypes. R. Glaser, M. Lewis 70. First nematic calamitic liquid crystals with negative birefringence. V. Reiffenrath, M. Bremer 71. Systematic structural modifications to a liquid-crystal monomer: A study. D. L. Gin, B. C. Baxter 72. Fluorescent polycatenar liquid crystals with cross-linkable side chains. D. L. Gin, B. Hoag 73. Salting benzenes. R. W. Gurney, L. D. Bastin, S. Ham, B. Kahr 74. Highly polar and quadrupolar molecular materials based on c/oso-borates. P. Kaszynski, A. G. Douglass, J. E. Harvey, S. Pakhomov 75. Directed design of an achiral antiferroelectric phase. D. M. Walba, E. Kôrblova, R. Shao, J. E. Maclennan, D. R. Link, N. A. Clark 76. Comparison of 12- and 10-vertex p-carboranes as structural elements for liquid crystals. P. Kaszynski, S. Pakhomov, A. G. Douglass 77. Main-chain ferroelectric liquid-crystal polymers by acyclic diene metathesis polymerization. D. M. Walba, L. Xiao, P. Keller, R. Shao, N. A. Clark 78. Unimolecular rectification down to 105 Κ and spectroscopy of hexadecylquinolinium tricyanoquinodimethanide. B. Chen, J. W. Baldwin, R. M. Metzger 79. Synthesis and characterization of a new type of discotic liquid crystals. P. Kaszyn ski, J. M. Farrar 80. Order-disorder and order-order-transi tions in smectic C* liquid-crystalline diblock copolymers. M. Anthamatten, P. T. Hammond 81. Optical properties of organic wide-bandgap semiconductors under high pressure. S. Guha, W. Graupner, S. Yang, Q. Cai, C. M. Martin, M. Chandrasekhar, H. R. Chandrasekhar, R. Glaser, G. Leising 82. Gelation of organic liquids by tethered dyad supergelators: Temperature-depen dent 1H-NMR spectra and relaxation mea surements. D. C. Duncan, D. G. Whitten, B. I. Swanson 83. Photoconductive mechanism study of anthraquinone-series bisazo pigments by ESR. Z. Huang, J. Pan, Q. Yu

84. Controllable molecular shuttle. J. F. Stoddart, S. Wenger, R. Dress, O. Kocian, V. Balzani, A. Credi, E. Ishow 85. Molecular shuttles by the protecting group approach. J. F. Stoddart, J. Cao, G. R. L. Cousins, M. C. T. Fyfe, P. T. Glink 86. Molecular motion-assisted charge sepa ration in porphyrinic rotaxanes. J-P. Sau vage, M-J. Blanco, J-C. Chambron, V. Heitz 87. DFT study of the cation and anion radi cals of β-ketocarboxamide azomethine dyes. F. Abu-Hasanayn, T. R. Welter, S. S. Chen 88. Unusual (^stereoselectivity switching in Z-E photoisomerization of substituted cyclooctenes. T. Inoue, K. Matsuyama, Y. Inoue 89. Asymmetric photoreactions within chirally modified zeolites. A. Joy, V. Ramamurthy, S. Hamstead, J. Dubin 90. Chiral induction in the Norrish type II re action of 2-alkoxybenzophenones in zeo lite. K. J. Ponchot, V. Ramamurthy 91. Oligosaccharide synthesis via iterative alkynol cyclizations. F. E. McDonald, K. S. Reddy, Y. Diaz 92. Selective rhenium-catalyzed oxidation of secondary alcohols with DMSO: A one-pot oxidative ketalization. J. B. Arterburn, M. C. Perry 93. Generation and reactions of allyl-, propargyl-, and thiomethylmanganese re agents. M. Hojo, Y. Baba, Y. Funahashi, H. Harada, A. Hosomi 94. Total synthesis of strychnine via a cobaltmediated [2+2+2] cycloaddition. Κ. P. C. Vollhardt, M. J. Eichberg, R. L. Dorta, K. Lamottke 95. Chirality transfer in the allenic [2+2+1] cy cloaddition. K. M. Brummond, A. D. Kerekes 96. Diastereoselective synthesis of both sym metrical (Ε,Ε)- and (Z,Z)-conjugated dienes based on stereodefined alkenylboronate esters. N. G. Bhat, C. Martinez 97. Stereospecific synthesis of both (£)- and (2)-1,3-alkenynes based on stereodefined alkenylboronate esters. N. G. Bhat, C. Martinez 98. Addition of allylboronates to β-ketoacids. G. W. Kabalka, K. Yang, Z. Wang 99. One-step, three-component reaction among organoboronic acids, amines, and carbohydrates. N. A. Petasis, X. Yao, I. A. Zavialov 100. Efficient synthesis of oligophenylene rods en route to new 3-D architectures. R. M. Strongin, M. W. Read, D. M. Willis, P. T. Lewis, J. O. Escobedo, K. J. Hébert 101. Novel ammonium ionophores based on thiazolo-benzocrown ethers. H-S. Kim, Y. K. Koh, J-H. Choi, D-H. Lee 102. Rotaxane assemblies: Threading the beads. H. W. Gibson, W. S. Bryant 103. First enantioselective syntheses of inherently chiral nonracemic calix[4]resorcinarene derivatives. P. C. Bulman Page, E. P. Sampler, H. Heaney 104. Solid- and solution-state carbon-13 NMR studies of interlocked molecules. J. F. Stoddart, D. G. Amirsakis, M. A. Garcia-Garibay, S. J. Rowan 105. Design of organic gelators based on a family of bis-ureas. R. E. Melendez, A. J. Carr, K. Sada, A. D. Hamilton 106. Control of polymer structure and function through intramolecular self-assembly. V. Rotello, F. Ilhan 107. Arylphosphate binding by regioisomeric dicationic β-cyclodextrin derivatives. S. L. Hauser, E. W. Johanson, H. P. Green, P. J. Smith 108. Binding and catenane formation of alkoxycarbonyl-substituted BPP34C10 de rivatives. J. F. Stoddart, S. J. Rowan, M. Pérez-Alvarez, D. A. Schiraldi, A. J. P. White, D. J. Williams 109. Macrocyclic receptor for visual color detection of saccharides. R. M. Strongin, C. J. Davis, P. T. Lewis, M. E. McCarroll, M. W. Read


110. Syntheses and properties of chiral calixarene analogs bridged by cystine unit. K. Ito, Y. Ohba 111. [2]Pseudorotaxane formation between dialkylammonium ions and tribenzo[27]crown-9. J. F. Stoddart, A. M. Heiss, S. J. Cantrill, M. C. T. Fyfe 112. Probing the reversibility of hemicarcerand formation. J. F. Stoddart, S. Ro, S. J. Rowan, D. J. Cram 113. Crown ether cluster molecules. J. F. Stoddart, D. A. Fulton, S. J. Cantrill 114. Supramolecular bundles based on matching tritopic recognition sites. J. F. Stoddart, M. C. T. Fyfe, J. N. Lowe 115. Noncovalent recognition of a functional group type: The selective binding of secondary amides by benzylic amide macrocycles. D. A. Leigh, A. J. Wilson, Α. Μ. Ζ. Slawin, T. J. Kidd 116. Cationic substituent effects on the rate of a Cope rearrangement. K. M. Morgan, E. N. Hattersley, A. A. Einsmann, C. M. Beck, S. H. Shin, R. J. Carra, M. B. Kraynyak, P. F. Godenschwager 117. Exo-olefin ring insertion followed by a one-carbon ring expansion via alkoxy rad icals. R. E. Maleczka Jr., E. L. Ruggles 118. Anionic cycloaromatization of 2-(6-substituted-3-hexen-1,5-diynyl)benzonitriles initiated by methoxide addition. M-J. Wu, C-F. Lin 119. Novel 3-aza-Grob fragmentation in hy dride reduction of ether-protected aromat ic lactams. J-J. Wang, W-P. Hu 120. Catalytic asymmetric epoxidation of stilbene using chiral salen complex immobi lized in Mn-AIMCM-41. P. Piaggio, C. Langham, P. McMorn, P. C. BulmanPage, D. Bethell, F. E. Hancock, G. J. Hutchings 121. Kinetic resolution of diepoxides with chiral (salen) cobalt catalysts. R. Nonokawa, T. Satoh, K. Yokota, T. Kakuchi 122. Remote asymmetric induction: Synthe sis of β-amino acids. Η. Ε. Sailes, A. Whit ing, J. P. Watts 123. Bidentate chelation controlled asymmet ric synthesis of α-hydroxy esters. H-D. Kim, J. E. Jung, H. Ho, Y. K. Kim 124. Significant effects of nonconjugated re mote substituents in catalytic asymmetric epoxidation. D. Yang, J . Chen, Y-C. Yip, K-K. Cheung 125. Chiral auxiliaries for asymmetric radical cyclization reactions. D. Yang, M. Xu, X-Y. Ye, M-Y. Bian 126. Structural snapshots of bis(amido)magnesium-mediated enolizations and aldol additions. K. W. Henderson, J. F. Al lan, A. R. Kennedy 127. Practical synthesis of AG-7352, an opti cally active new antitumor agent. K. Chiba, Y. Tsuzuki, K. Tomita, K. Mizuno, Y. Sato 128. Efficient preparation of (S)-3,3,3trifluoro-2-hydroxy-2-methylpropanoic acid via resolution of diastereomeric amides/ esters. K. Takahashi, S. Kato, T. Mimura, T. Ogasa, S-l. Mohri, M. Kasai 129. Practical synthesis of mono- or disubstituted 2,5-dihydroxyquinones: Synthesis of rapanone. R. M. Black, Η. Β. Wood 130. Improved route to multitargeted antifolate LY231514. B. J. Slattery, D. P. Kjell 131. Practical convergent synthesis of SERM 2, LY326315. D. Mitchell, L. A. Hay, J. A. Dodge, Κ. Κ. Ellis, T. M. Koenig, C. W. Lugar ill, Ε. Ε. Strouse 132. Practical, efficient synthesis of β-amino tertiary thiols via aminolysis ring-opening of thiiranes. Q. Dong, X. Fang, J. Schroeder, D. S. Garvey 133. Practical synthesis of derivatizable 3'-0(carboxyalkyl)fluorescein methyl ester la bels. J. A. Moore, M. Adamczyk, J. Grote 134. Novel synthetic approach to the potential antibacterial agent 2-pyridone's nuclei via the key 3-fluoro-4-hydroxypyridone interme diate. C-N. Hsiao, R. Kurukulasuriya 135. Preparation of chiral allenylmetal re agents from enantioenriched allenyl io dides and propargylic mesylates: A com parison of indium, bismuth, and tin deriva tives. J. A. Marshall, C. M. Grant 136. Asymmetric conjugate addition of sulfonyl carbanions to chiral oxazolines. A. I. Meyers, L. F. Basil 137. General strategy for the synthesis of saturated eight-membered ring natural products. K. R. Buszek, I. Ghosh, Y. Jeong, N. Sato, P. C. Sill, P. L. Muifto 138. Highly β-selective epoxidation of Δ5unsaturated steroids catalyzed by an am monium ketone. D. Yang, G-S. Jiao, Y-C. Yip, M-K. Wong

139. Catalytic asymmetric synthesis of enantioenriched cyclopropylmethanols. A. B. Charette, C. Molinaro, C. Brochu 140. Asymmetric synthesis of benzomorphans via chiral 2,3-dihydro-4-pyridones as building blocks. Y-M. Zhang, D. L. Comins, S. P. Joseph 141. Anomeric oxygen to carbon rearrange ments in organic synthesis. S. V. Ley, E. W. Tate, D. J. Dixon 142. π-Allyltricarbonyliron lactone complexes in a diastereoselective Mukaiyama aldol reaction. S. V. Ley Jr., E. A. Wright 143. Highly stereoselective synthesis of 1,3amino alcohols: Remote substituent effect. J-M. Huang, T-P. Loh, S-H. Goh 144. Chemoenzymatic, asymmetric total syn thesis of (-)-podophyllotoxin and (-)-picropodophyllin. D. B. Berkowitz, S. Choi, J-H. Maeng 145. Synthesis of the angiotensin-converting enzyme inhibitors H-A58365A and (-)A58365B from a common intermediate. D. L. J. Clive, D. M. Coltart, Y. Zhou 146. Stereospecific synthesis of a GS4104 metabolite: Determination of absolute ste reochemistry and influenza neuraminidase inhibitory activity. W. Lew, P. A. Escarpe, D. B. Mendel, D. J. Sweeny, C. U. Kim 147. Asymmetric total synthesis of fluvirucinine A v Y-G. Suh, S-A. Kim, J-K. Jung, D-Y. Shin, K-H. Min, B-A. Goo 148. Lanthanide triflates-catalyzed Mn(lll)based oxidative free-radical cyclization re actions: Enantioselective total synthesis of (-)-triptolide, (-)-triptonide, and (+)triptophenolide. D. Yang, X-Y. Ye, S. Gu, M. Xu 149. Synthesis of potent new analogs of cryptophycin 1. J. W. Leahy, Κ. Μ. Gardinier 150. Design and synthesis of novel macrocyclic taxoids. X. Geng, C. P. Borella, M. L. Miller, S. Lin, S. Chakravarty, I. Ojima 151. Cytotoxic alkaloids motuporamines A-C: Synthesis and structural verification. W. P. D. Goldring, L. Weiler 152. En route to the first atropisomerselective synthesis of axially chiral dimeric carbazole alkaloids. S. Tasler, G. Bringmann 153. Annotinine revisited: A new pentacyclo[7.3.3.0 113 .0 212 .0 5 ' 13 ]pentadecane ester and other products derived from an notinine. W. A. Ayer, M. Wichlacz, L. S. Trifonov 154. Highly efficient approach to the synthe sis of enantiopure (-)-indolizidine 223AB via rhodium-catalyzed hydroformylation. P. Zhang, I. Ojima 155. Total synthesis of tryprostatin A and B, and enantiomers. S. Zhao, T. Gan, P. Yu, J. M. Cook 156. General approach for the synthesis of ajmaline and sarpagine indole alkaloids: Enantiospecific total synthesis of norsuaveoline via asymmetric Pictet-Spengler re action. T. Wang, J. M. Cook 157. New alkaloids from Thalictrum acutifolium. J. Su, C. Lin 158. Synthesis of elvirol methyl ether. T-L. Ho, M-F. Ho 159. Cyclization reactions to flavonoids and benzofurans. S. R. Pulley, W. Jiang, Z. Liu 160. Synthesis of two cytotoxic sterols from soft corals. L. Zeng, J. Su, J. Cui 161. Modification of the diene moiety of maytansine and its homologs. B. T. Schaneberg, A. T. Sneden

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PETROCHEMICALS

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162. Synthesis of unnatural substrates as mechanistic probes of the penicillin biosynthetic pathway. J. E. Baldwin, D. H. Martyres, R. M. Adlington, V. Lee, P. L. Roach 163. Synthesis, cytotoxicities, and spectro scopic studies of DNA interactions with 6,9-[[(2-dimethylamino)ethyl]amino]benz [p]isoquinoline-5,10-dione and its 1- and 3-methylated analogs. A. P. Krapcho, W. Leenstra, D. J. Waterhouse 164. Stereoselective synthesis of thalidomide analogs. F. A. Luzzio, E. M. Thomas, W. D. Figg 165. Relative magnitudes of steric effects in reactions of chlorine, bromine, and iodine with representative acyclic alkenes. D. J. Nelson, T. C. Pemg

Section Β Convention Center Room R02-R03 National Institutes of Health Grantsmanship Workshop Panel Discussion by Organic Chemists (Experienced NIH Grantees, Peer Reviewers, and NIH Administrators)

J. M. Schwab, Organizer, Presiding 8:00—Introductory Remarks. 8:10—Panel Discussion. 9:50—Concluding Remarks.

MONDAY MORNING Section A Convention Center La Nouvelle Ballroom A/B Nakanishi Prize Metal-Mediated Reactions and Syntheses

R. L. Halcomb, Organizer S. R. Pulley, P. S. Anderson, Presiding 8:10—166. Progress toward biaryl ethers us ing benzannulation. S. R. Pulley, S. Sen 8:30—167. Chiral-chelated /V-heterocyclic carbene complexes. T. V. RajanBabu, D. S. Clyne, J. Jin, E. Genest 8:50—168. Titanocene-catalyzed cycloisomerization of enynes and dienynes. S. J. Sturla, N. M. Kablaoui, S. L. Buchwald 9:10—169. Reactions of 3,4-bisstannyl furanones and related compounds. J. B. Sweeney, R. Mabon, A. M. E. Richecoeur, N. Carter 9:30—170. Low-temperature NMR structure identification of the active catalyst and of a diastereomeric transient olefin-catalyst adduct in a ruthenium-BINAP-catalyzed hy drogénation. S. H. Bergens, J. A. Wiles, C. J. A. Daley 9:50—171. Heterogeneous manganese catalyst based on triazacyclononane: Selective epoxidation and a new entry to cisdiols. P. A. Jacobs, D. E. De Vos, S. De Wildeman, B. F. Sels 10:10—172. Enantiospecific synthesis of allylamines via the regioselective rhodiumcatalyzed allylic amination reaction. P. A. Evans, J. D. Nelson, J. E. Robinson 10:30—173. Quaternary carbon-carbon bond formations: Diastereoselectivity in the reactions of aryllead tricarboxylates. J. P. Konopelski, G. I. Elliott 10:50—Introductory Remarks. P. S. Anderson 11:00—174. Award Address. Two millennia of lead toxicity: Have we learned our lesson, at last? J. R. Knowles 12:00—Concluding Remarks.

Section Β Convention Center Room R02-R03

9:00—176. Allenic [2+2+1] cycloaddition: Ap plication to biologically relevant molecules. K. M. Brummond 9:45—177. Activated sulfoxides in glycosidic coupling. D. Y. Gin 10:30—178. Reactions of silacyclopropanes as new methods for stereoselective organ ic synthesis. K. A. Woerpel, A. K. Franz, W. S. Palmer, J. T. Shaw 11:15—179. Catalytic asymmetric epoxida tion of olefins via dioxiranes. Y. Shi 12:00—Concluding Remarks.

Section C Convention Center Room R04-R05 M Fullerenes Cosponsored with Division of Chemical Education and Materials Chemistry Secretariat

A. L. Smith, R. C. Haddon, Organizers R. C. Haddon, Presiding 8:25—Introductory Remarks. 8:30—180. Electrochemical transformations of fullerene derivatives. L. Echegoyen 9:05—181. Fullerenes in materials chemistry. F. Wudl, K. Hutchison, J. Gao, Y. Rubin 9:40—182. C 6 0 as a building block for nanoscale architectures: Self-assembling Ceo nanorods and vesicles, DNA/C6o hy brids, and Ceo i n nanotrucks. J. M. Tour 10:15—183. Reactions of fullerenes using helium NMR. M. Saunders, R. J. Cross Jr., H. A. Jimenez-Vazquez, A. Khong 10:50—184. Fullerenes in biology and medi cine. S. R. Wilson 11:25—185. Synthesis and photophysics of new types of fullerene-porphyrin dyads. D. I. Schuster 12:00—Concluding Remarks. Section D Convention Center Room R06 Diels-Alder, Annulations, Other Cycloadditions, Retrocycloadditions, and Rearrangements R. L. Halcomb, K. M. Morgan,

Organizer Presiding

8:40—186. Diels-Alder reactions of vinylimidazoles. C. J. Lovely, H. Seshadri 9:00—187. Dihalo-substituted cyclopentanones: Synthetic equivalents of cyclobutenes in Diels-Alder reactions. M. Harmata, L. Shao 9:20—188. Formal cycloaddition reactions of vinylogous amides with α,β-unsaturated iminiums: An approach to piperidinyl heterocycles. R. P. Hsung, L-L. Wei, H. M. Sklenicka, C. J. Douglas, M. J. McLaugh lin, J. A. Mulder, L. J. Yao 9:40—189. Double Michael route to highly substituted and functionalized cyclic ke tones. R. B. Grossman, D. S. Pendharkar, B. O. Patrick 10:00—190. Nitro compounds in the double annulation route to trans-fused bicyclic compounds. R. B. Grossman, R. M. Rasne, B. O. Patrick 10:20—191. Double annulation route to fused bicyclic compounds containing three contiguous quaternary centers. R. B. Grossman, A. J. Skaggs, B. O. Patrick 10:40—192. Tetrahydrofuran synthesis: 5-Endo-trig cyclization violates Baldwin's ring closure rule? W-C. Zhang, C-J. Li 11:00—193. Novel condensation, fragmen tation approach to furan-containing natur al products. J. D. Rainier, Q. Xu, A. Kennedy 11:20—194. Tocopherol-acetaminophen re action: A new [1,4]-rearrangement discov ered in vitamin Ε chemistry. T. Rosenau, P. Kosma, W. D. Habicher

Section Ε Convention Center Room R01 Tetrahedral Carbon's 125th Anniversary Cosponsored with Division of the History of Chemistry

P. J. Ramberg, Organizer P. R. Jones, Presiding 8:30—Introductory Remarks. 8:35—195. One hundred twenty-five years of stereochemistry: Introductory remarks. P. J. Ramberg 9:25—196. From one dimension to three: Chemical models before 1874. C. Ritter 10:15—197. Handling the tetrahedron: The use of mechanical molecular models in chemical research. E. Francoeur 11:05—198. Stereochemical representation by wedges and a one-wedge convention. S-K. Lin 11:55—Concluding Remarks. Organic and Inorganic Synthesis via Boranes cosponsored with Division of Inorganic Chemistry (see page 100)

MONDAY AFTERNOON Section A Convention Center La Nouvelle Ballroom A/B Tetrahedron Prize for Creativity in Organic Synthesis

H. Wasserman, R. L. Halcomb, Organizers H. Wasserman, Presiding 1:00—Introductory Remarks. 1:05—199. New methods for constructing polycyclic natural products. L. E. Overman 1:55—200. Reflections on the awesome power of chemical synthesis. S. J. Danishefsky 2:45—Introductory Remarks. 2:50—201. Award Address (Tetrahedron Prize for Creativity in Organic Synthesis, sponsored by Elsevier Science). Unex pected and the unpredictable in organic synthesis. T. Mukaiyama 3:50—Introductory Remarks. 3:55—202. Award Address (Tetrahedron Prize for Creativity in Organic Synthesis, sponsored by Elsevier Science). Studies in asymmetric catalysis. D. A. Evans 4:55—Concluding Remarks.

Section Β Convention Center Room R02-R03 M Anisotropic Organic Materials Liquid Crystals

P. Kaszynski, R. Glaser, Organizers P. Kaszynski, Presiding 1:10—Introductory Remarks. 1:15—203. Synthesis and applications of fer roelectric and antiferroelectric liquid crys tals and gels. J. W. Goodby, M. Hird, K. J. Toyne, R. A. Lewis, A. Beer, S-E. Lee, M. Glendenning 2:00—204. Design of smectic liquid-crystal phases using layer interface clinicity. D. M. Walba, E. Korblova, R. Shao, J. E. Maclennan, D. R. Link, N. A. Clark 2:45—205. Molecular engineering for ferroelectricity in liquid crystals. D. Guillon 3:30—206. Optical switching of ferroelectric liquid crystals using chiral photochromic dopants. R. P. Lemieux 4:15—207. Nearest neighbor interactions in liquid crystals: Approaches to frustration and polar order. T. M. Swager 5:00—Concluding Remarks.

Synthetic Organic Chemistry for the 21st Century Cosponsored with Younger Chemists Committee

J. M. Schwab, Organizer, Presiding 8:10—Introductory Remarks. 8:15—175. Asymmetric catalysis of acyl transfer with minimal folded peptides. S. J. Miller


JULY 26, 1999 C&EN 1 1 5

ORGN/TECHNICAL PROGRAM

Section C Convention Center Room R04-R05

4:05—228. Arthur Hantzsch, Adolf Claus, and the concept of "structural identity". P. J. Ramberg 4:55—Concluding Remarks.

M Fullerenes Cosponsored with Division of Chemical Education and Materials Chemistry Secretariat

Organic and Inorganic Synthesis via Boranes cosponsored with Division of Inorganic Chemistry (see page 100)

L. Echegoyen, Presiding

MONDAY EVENING

1:20—Introductory Remarks. 1:25—208. New fullerene chemistry. C. A. Reed, R. D. Bolskar, P. D. W. Boyd, M. Hodgson 2:00—209. Recent advances in the chemical functionalization of Ceo and approaches to endohedral fullerene complexes. Y. Rubin, G. Schick, T. Jarrosson 2:35—210. Preparation and characterization of reduced fullerenes. M. S. Meier, R. C. Haddon, H. P. Spielmann, R. G. Bergosh, M. Gallagher, B. R. Weedon 3:10—211. Geodesic polyarenes: Answering questions and challenges in the fullerene field by bits and pieces. L. T. Scott 3:45—212. Synthesis of all-carbon fullerene derivatives. R. M. Strongin 4:20—213. Synthesis of carbon frameworks represented on fullerene surfaces. P. W. Rabideau 4:55—Concluding Remarks. Section D

Section A Convention Center Room R02-R03 Η Civilian Applications of Chemistry of Organic Nitrocompounds Panel Discussion (Including the Invited Symposium Speakers)

A. A. Gakh, S. Mallik, Organizers, Presiding 6:00—Introductory Remarks. 6:10—Panel Discussion. 7:50—Concluding Remarks.

Section Β Convention Center Exhibit Hall A Sci-Mix


Selected State-of-the-Art Organic Chemistry Posters, Including Symposia Posters

Mimics, Mimetics, Peptidomimetics, Artificial Biomolecules, Enzyme Inhibitors, and Biosynthesis

8:00-10:30 60-126. See previous listings.

R. L. Halcomb, D. B. Berkowitz,

R. L. Halcomb, Organizer, Presiding

Organizer

9:00—238. Highly efficient, saturated, red or ganic light-emitting devices based on phos phorescent platinum(ll) porphyrins. R. C. Kwong, S. Sibley, M. A. Baldo, S. R. For rest, M. E. Thompson 9:20—239. Optical sensor for determination of blood sodium based on a new fluoroionophore. H. He, M. A. Mortellaro, M. J. P. Leiner, R. J. Fraatz 9:40—240. Synthesis and properties of poly([8]-annulene)-based materials: Revis iting tetra(2,3-thienylene)s. M. J. Marsella, R. J. Reid 10:00—241. Searching for new soluble or ganic semiconductors: Unexpected reac tivity of substituted benzodithiophenes. S. L. Gilat, H. E. Katz, W. Li 10:20—242. Photochemical p/Ca modulation and gated photochromic properties of a novel diarylethene switch. S. H. Kawai, S. L. Gilat, J-M. Lehn 10:40—243. Organic "magic rods": The syn thesis of rotaxanes under thermodynamic control. D. A. Leigh, A. J. Wilson, T. J. Kidd 11:00—244. Effects of tethers on oligo(phenylene ethynylene) conformation. J. S. Moore, M. S. Gin 11:20—245. New ordered 2-D side-chain polymer architecture with polydiacetylene functionality through diacetylene align ment on a hydroxylated polyamide back bone. G. Wang, R. I. Hollingsworth 11:40—246. Oligoacetylenic sulfides. A. W. M. Lee, A. B. W. Yeung, M. S. M. Yuen, H. Zhang, X. Zhao 12:00—247. Fluid dynamics and chemistry on the microscale. R. F. Ismagilov, P. J. A. Kenis, A. D. Stroock, J. C. McDonald, H. A. Stone, G. M. Whitesides

Section C

TUESDAY MORNING

Presiding

1:15—214. (a-Monofluoro)alkylphosphonates: Convergent synthesis and study. D. B. Berkowitz, M. Bose, G. Peris 1:35—215. Synthesis of cyclopentadienyl tricarbonyl technetium phenyl-tropane derivatives by direct double ligand transfer with ferrocene precursors. R. R. Cesati III, G. Tamagnan, R. M. Baldwin, S. S. Zoghbi, R. B. Innés, J. A. Katzenellenbogen 1:55—216. Reengineering ligand receptor specificity by reciprocal alterations at binding contact sites. R. Tedesco, J. A. Thomas, B. S. Katzenellenbogen, J. A. Katzenellenbogen 2:15—217. Light-gated helix bundle ion channel: Progress toward the synthesis. B. A. Salvatore, G. Li, B. Erdogan, M. E. Jones 2:35—218. Sulfoximine-containing peptides. C. Boim, G. Moll, J. D. Kahmann, S. Wagner 2:55—219. Practical synthesis of azabicyclo[X.Y.O]alkane amino acids and their incorporation into mimics of peptide structure. F. Gosselin, W. D. Lubell 3:15—220. Synthesis of a cascade polyolcontaining mefa-carboranyl-1 -aminocyclobutanecarboxylic acid as a potential BNCT agent. G. W. Kabalka, R. R. Srivastava, G. Li, B. C. Das 3:35—221. Synthesis of amino acid-derived phosphonamidic anhydrides. P. R. Hanson, K. T. Sprott 3:55—222. Installation and examination of the o>(1-fluoro)vinyl trigger for AADC suicide inactivation. D. B. Berkowitz, R. de la Salud-Bea, J. M. McFadden 4:15—223. Biosynthesis of epAaristolochene and vetispiradiene: Stereoselective synthesis of [13,13-2H2]-FPP and [13,13,132 H3]-FPP. R. M. Coates, D. J. Schenk 4:35—224. Synthesis of thioether phospholipids with variable headgroups as selective phospholipase A2 inhibitors. J. Hajdu, K. Watt, S. M. Wu, A. Qureshi

Section Ε Convention Center Room R01 Tetrahedral Carbon's 125th Anniversary Cosponsored with Division of the History of Chemistry

P. R. Jones, Presiding 1:30—Introductory Remarks. 1:35—225. Van't Hoff, Kekule, and the MillsNixon effect. J. S. Siegel 2:25—228. History of optical activity in crys tals. B. Kahr 3:15—227. Ugly symmetry. S-K. Lin

1 1 6 JULY 26, 1999 C&EN

Section A Convention Center La Nouvelle Ballroom A/B

Convention Center Room R04-R05 Theory, Calculations, Carbenes, Mechanisms, and Strain

Arthur C. Cope Award and Arthur C. Cope Scholar Awards Self-Assembly and Molecular and Surface Recognition in Biology and Chemistry

R. L. Halcomb, Organizer D. P. Curran, Presiding 8:00—Introductory Remarks. 8:05—229. Award Address (Arthur C. Cope Scholar Award). Molecular-level devices and machines. J. F. Stoddart 8:45—230. Award Address (Arthur C. Cope Scholar Award). Cage molecules that trap atoms and molecules. M. Saunders, R. J. Cross Jr., A. Khong, R. Shimshi 9:25—231. Award Address (Arthur C. Cope Scholar Award). Exploring recognition and signaling with synthetic multivalent ligands. L. L. Kiessling 10:05—232. Award Address (Arthur C. Cope Scholar Award). Protein surface rec ognition by synthetic receptors. A. D. Hamilton, H-S. Park, Q. Lin, R. Jain 10:45—233. Award Address (Arthur C. Cope Scholar Award). Chemical and biological cell surface engineering. C. R. Bertozzi 11:25—234. Award Address (Arthur C. Cope Scholar Award). Self-organized autocatalytic peptide networks. M. R. Ghadiri 12:05—Concluding Remarks.

Section Β Convention Center Room R02-R03 Anisotropic Materials, Materials, Molecular Devices, Switches, Gadgets, and Optics

R. L. Halcomb, Organizer R. M. Strongin, Presiding 8:00—235. New stilbazolium lead(ll) iodide with large second-order optical nonlinearity and simultaneous photoluminescence be havior. A. M. Guloy, Z. Tang, V. Srdanov 8:20—236. New type of nonlinear optical ma terials based on strong head-to-tail hydro gen bonding. C. Cai, M. Boesch, Y. Tao, B. Mueller, A. Kuendig, C. Bosshard, I. Liakatas, I. Biaggio, P. Guenter 8:40—237. Thermally stable hole-trans porting materials, based on a fluorene core. D. E. Loy, B. E. Koene, M. E. Thompson

R. L. Halcomb, Organizer B. Gordillo, Presiding 8:15—248. Density-functional studies of disaccharide complexes. N. C. Braier 8:35—249. Lewis acids in electrophilic aro matic substitution reactions: An important role in activation of aromatic rings. K. S. Kim, P. Tarakeshwar 8:55—250. Partitioning of essentially free, deaminatively generated carbocations. R. W. Darbeau, E. H. White 9:15—251. Planar bithiophenes by dipolar stabilization: A computational study. M. Pomerantz 9:35—252. Reaction of chromium-complexed arènes with anions, cations, and radicals: A theoretical study. C. A. Merlic, B. N. Hietbrink, K. N. Houk 9:55—253. Stepwise ring-openings of cyclopropylcarbenes. J. M. Cummins, M. Jones Jr. 10:15—254. Lithium diisopropylamide-mediated enolizations: Solvent-independent rates and solvent-dependent mechanisms. D. B. Collum, X. Sun 10:35—255. Remarkable electrophilic addition to 1-methoxy-1,3-cyclohexadiene. J. V. McClusky, S. L. Emery, C. H. Fies, E. J. Hester 10:55—256. Pericyclic routes to strained molecules: Theoretical and experimental studies. R. P. Johnson, L. A. Boddington, A. Z. Bradley, M. G. Kociolek, W. Li, J. Mabry, H. R. Mayne, R. White 11:15—257. Competition between ammonolysis and nucleophilic substitution in the reaction of ammonia with methyl 2-bromobutanoate. M. R. Bautista, D. M. Forkey, J. G. Russell 11:35—258. Mechanism of transfer of carboxylic acids from aqueous sodium chloride solutions to cyclohexane. H. F. AlModhaf, M. F. Hegazi, S. A. Amer, A-S. I. Abu-Shady Chemistry of Fullerenes and Related Carbon Nanostructures cosponsored with Materials Chemistry Secretariat (see page 64)


TUESDAY AFTERNOON Section A Convention Center La Nouvelle Ballroom A/B Arthur C. Cope Award and Arthur C. Cope Scholar Awards Merging of Biology and Chemistry

M. R. Johnson, Presiding 1:05—Introductory Remarks. 1:10—259. Award Address (Arthur C. Cope Scholar Award). Design of enzyme inhibitors. D. H. Rich 1:50—260. Award Address (Arthur C. Cope Scholar Award). Chemical and biological tools to study and exploit the estrogen receptor. J. A. Katzenellenbogen 2:30—261. Award Address (Arthur C. Cope Scholar Award). Merging of chemistry with biology. K. D. Janda 3:10—262. Award Address (Arthur C. Cope Scholar Award). Mechanistic studies of protein fibrillization relevant to Alzheimer's and Parkinson's diseases. P. T. Lansbury Jr. 3:50—Introductory Remarks. 4:00—263. Award Address (Arthur C. Cope Award). Use of catalytic antibodies in peptide synthesis. R. F. Hirschmann 5:00—Concluding Remarks.

Section Β Convention Center Room R02-R03 Dendrimers: Supramolecular Recognition and Self-Assembly

R. L. Halcomb, Organizer C. J. Abelt, Presiding 1:10—264. Noncovalent surface modification of dendrimers possessing embedded met al nanoparticles: Applications to environ mentally friendly catalysis. V. Chechik, M. Zhao, R. M. Crooks 1:30—265. Generation-dependent fluores cence properties of dendritic polymers. L. A. Baker, R. M. Crooks 1:50—266. Molecular recognition and cataly sis in the core of a carbosilane dendrimer. J. Ν. Η. Reek, G. E. Oosterom, R. van Heerbeek, P. C. J. Kamer, P. W. N. van Leeuwen 2:10—267. Divergent self-assembly of rotaxane-like dendrimers by slippage. J. F. Stoddart, A. M. Elizarov 2:30—268. Intramolecular hydrogen-bonded dendrimers. J. R. Parquette, B. Huang 2:50—269. Self-assembly of ethylene diamine-based dendrons around a cobalt(lll) center. V. V. Narayanan, E. C. Wiener Section C Convention Center Room R04-R05 Electron Transfer, Photochemistry, Radicals, and Organometallic Radical Chemistry R. L. Halcomb, R. M. Bolzan,

Organizer Presiding

1:20—270. Electrochemical coupling of catharanthine with vindoline. I-U. Haque, M. I. Javed 1:40—271. Mechanistic singlet oxygen chemistry in zeolites. E. L. Clennan, W. Zhou, J. P. Sram 2:00—272. β-Ketocarboxamide azomethine dyes: A possible case of nonadiabatic en ergy transfer. F. Abu-Hasanayn 2:20—273. Synthesis of intramolecular mod els for intermolecular aggregates of aryl cinnamate chromophores in liquid-crystal line polymers. R. O. Al-Kaysi, D. Creed 2:40—274. Novel near-IR two-photonabsorbing chromophores. K. D. Belfield, K. J. Schafer, B. A. Reinhardt, D. J. Hagan, E. W. Van Stryland, R. Nègres 3:00—275. Photolytic generation of the 1,2,4-triazolyl cation. H. H. Gibson Jr., R. A. Abramovitch, J. T. Sierra 3:20—276. Photoaffinity labeling with azides. S. A. Fleming, J. Young, K. Weenig 3:40—277. Photochemistry of monothiobenzoyl derivatives of methyl benzylidene-aD-glucopyranosides. C. J. Abelt, A. L. Schreiber

4:00—278. Mechanism study of free-radical S H 2' reactions by leaving-group effects and secondary α-deuterium kinetic isotope effect. Y-W. Wu 4:20—279. Application of non-steady-state method to study the temperature effect on the real deuterium kinetic isotope effect of the proton transfer reaction of 9,10dimethylanthracene radical cation with 2,6-dimethylpyridine. Y. Zhao, Y. Lu, Ζ. Shen, V. D. Parker 4:40—280. Reactivity of chromium arene complexes toward radical addition. M. M. Miller, C. A. Medic

296. Pauson-Khand reaction of aryl enynes. C. J. Lovely, H. Seshadri 297. Activation of the metal-sulfur bond and thiolate scavenging in Suzuki crosscoupling reactions with thioesters through a proposed alkylative displacement. C. G. Savarin, L. S. Liebeskind 298. Palladium-catalyzed carbon-carbon bondforming reactions of silanols. K. Hirabayashi, J. Kawashima, Y. Nishihara, A. Mori, T. Hiyama 299. Palladium-mediated facile and general synthesis of /v^-aryl 2'-deoxyadenosine analogs. M. K. Lakshman, J. C. Keeler, J. H. Hilmer, J. Q. Martin Chemistry of Fullerenes and Related 300. Tridentate SCS-palladium(ll) complex Carbon Nanostructures cosponsored with es: New, highly stable, recyclable cata Materials Chemistry Secretariat (see page lysts for the Heck reaction. P. L. Osburn, 64) D. E. Bergbreiter, Y-S. Liu 301. Novel synthesis of 3-substituted indoles TUESDAY EVENING and carbazoles. B. C. Sôderberg, M. R. Turner, T. L. Scott Hilton Riverside 302. Formation of benzo[g(/7/]fluoranthenes Grand Salon C/D from palladium-catalyzed intramolecular Poster Session coupling. P. Shevlin, L. Wang 303. Some new features of the ring-closing Photochemistry, Radicals, metathesis reaction: Pyrrolidinone and Metal-Mediated Reactions, Molecular hindered cyclopentenol synthesis. T. R. Recognition, Theory, Mechanisms, Hoye, H. Zhao Saccharides, Lipids, Combinatorial 304. Ring-closing metathesis strategy to cyChemistry, DNA, Protein, Peptides, clic C^symmetric sulfamide compounds. Peptidomimetics, Enzyme Inhibitors, and P. R. Hanson, J. M. Dougherty, D. A. Biosynthesis Probst, R. E. Robinson R. L. Halcomb, Organizer, Presiding305. Ring-closing metathesis strategy to structurally diverse phosphorus com6:00-8:00 pounds. P. R. Hanson, J. M. Dougherty, 281. Weak hydrogen bonding between acetK. T. Sprott, D. S. Stoianova ylenic groups: The formation of diamond306. Family of polycationic, water-soluble, oid nets. E. Galoppini, R. Gilardi, W. Guo oligomeric, π-stacked conformers. A. 282. Intramolecular photocycloaddition of Cammers-Goodwin, H. R. Mulla tethered chromophores. W. Zhang, R. 307. Synthesis and characterization of 1,6Chebolu, E. Galoppini diols and 1,4-dicarboxylic acids of the 283. Synthesis of donor/acceptor molecules tricyclo[7.5.0.02,8]tetradecane system. X. for the study of electron transfer through siTang, Y. Ahmed, M. S. Mashuta, R. M. lane chains. W. Xiao, W. Xu, D. Wiedenfeld Buchanan, K. G. Taylor 284. Singlet oxygen ene reaction of tiglic acid 308. Relative rates of polymerization in a se utilizing an aqueous solvent. K. L. Stenries of diolefin charge-transfer complexes. saas, B. C. Means T. Hanks, M. Scanlon, M. Warmoth, W. 285. Electron-transfer-mediated isomerizaPennington, R. Bailey tion reactions in zeolites. P. Lakshmi309. Inclusion complexes of 1,3,5-triaroylnarasimhan, V. Ramamurthy, L. Johnston benzene derivatives: Synthesis and struc 286. Photo-Fries reaction within zeolites: Se tural characterization. F. C. Pigge, F. lectivity in product formation. M. Warrier, Ghasedi, Z. Zheng, N. P. Rath V. Ramamurthy 310. New insights in the conformational be 287. Zeolite as a spectroscopic matrix. S. R. havior of hexasulfonated calix[6]arenes in Uppili, R. Vaidyanathan solution. J. C. Alvarez, A. E. Kaifer 288. Radical reactions of ferrocenyl systems. 311. Synthesis of the first hexameric caviC. J. Lovely, H. Seshadri tand, a molecule composed of six resor289. Terminal diphenyl effect on the rate of cinol units. E. Roman, C. Peinador, A. E. 5-exo radical cyclization. C. Wang, G. A. Kaifer Russell 312. Quantum chemical investigation of the 290. Are bisazoesters true enediyne mimics? unusual seven-member ring containing Evidence for generation of 1,4-diradicals hemiacetal derivatives of 30-hydroxyfrom nonenediyne precursors. V. Srlnivafriedelan-3-on-28-al: The anomeric effect san, D. E. Budil in a triterpenoid oxepane. R. S. Lumpkin, 291. Nitration and nitrozation of morpholine E. A. Burleson, W. N. Setzer by peroxynitrite in the presence of carbon 313. Ab initio study of aromaticity and mag dioxide. R. M. Bolzan, R. M. Uppu, G. L. netic properties of [n]cyclacenes. K. S. Squadrito, W. A. Pryor Kim, H. S. Choi, S. B. Suh, K. S. Oh 292. Chromium(0)-mediated [6+2+2] cy 314. Stereoselective reduction and oxidation cloadditions: Scope and synthetic utility. J. by calculation and experiment. J. M. H. Rigby, C. R. Heap Goodman, M. D. Mackey, P. C. Wolsten293. Preparation of 1,3-dienes by nickelholme-Hogg catalyzed three-component couplings. X. 315. Electronic effects in the conformational Qi, J. Montgomery analysis of 2-p-X-anilino-2-thio-4,6-dimeth294. Desymmetrization of hydroxydienes and yl-1,3,2X5-dioxaphosphorinanes. B. Gordilhydroxydiynes via intramolecular hydrosilo, Z. J. Dominguez ly I at ion. D. Bonafoux, I. Ojima 316. Conformational analysis of highly hin 295. Novel three-step conversion of amino dered thiophosphoramidates. B. Gordillo, acids to /V-heterocycles. N. A. Petasis, W. Z. J. Dominguez, M. T. Cortez Keung 317. Local HSAB principle in the kinetics of the conjugate addition of p-substituted thiophenols to cyclohexenone. B. Gordillo, R. Meza, M. Galvân 318. Versatile route to enediyne building * AGRICULTURAL blocks. G. B. Jones, J. M. Wright, G. Hynd, G. W. Plourde, A. Sharma CHEMISTRY 319. Carbodiimide reaction with substituted • CATALYSIS acetylenes: Stepwise or [2+3] cycloaddition? D. G. Kovacs, J. E. Jackson • CHEMISTRY & 320. /V-Carboxyanhydrides as intermediates COMPUTERS in the preparation of /V-(carbonylamino)amino acids. F. J. Welberth A ENVIRONMENTAL 321. Spontaneous hydrolysis reactions of ISSUES cis- and frans-p-methoxy-betamethylstyrene oxides. R. S. Mohan, K. GavardiM MATERIALS nas, D. L. Whalen • PETROCHEMICALS 322. Synthesis of glycopeptide mimetics using the technique of chemoselective liga* PHARMACEUTICALS, tion. L. A. Marcaurelle, E. C. Rodriguez, C. R. Bertozzi MEDICINE & BIOLOGICAL

CHEMISTOY

323. Molecular recognition by macrocyclic sugar clusters having oligosaccharides in aqueous media. O. Hayashida, Y. Aoyama 324. Exploring receptor interactions with materials generated via metathesis reactions. L. E. Strong, J. E. Gestwicki, L. L. Kiessling 325. Glycosylacylsulfonamides: New glycosylating agents. L. L. Kiessling, R. J. Hinklin 326. Synthesis of TEG-linked phenyl boronic acids and their binding to saccharides. X. Y. Frisby, J. Gervay 327. Aggregation of benzenoid phospholipids in bilayer assemblies: Synthesis and characterization. S. Marappan, P. K. J. Kinnunen 328. Simple methodologies for the selective deuterium and 14C labeling at the tertiary centers of branched dicarboxylic fatty acid FAD-C44. K. V. Ramakrishna, C. Bieniarz, T. P. Kelly 329. Solid-phase synthesis of β-keto esters via sequential Baylis-Hillman and Heck re actions. B. A. Kulkarni, A. Ganesan 330. Ring-closing metathesis reaction on sol id supports. Q. Tang, J. R. Wareing 331. Combinatorial synthesis of tetrahydroisoquinoline ureas and amides via Curtius rearrangement. J. K. Schellhaas, G. L. Bolton, M. W. Creswell, J. C. Hodges, M. Meppen 332. Combinatorial synthesis of a substituted benzazepine library on solid support. G. L. Bolton, J. J. Machak 333. Synthesis of rigid linkers for immobiliza tion of proteins on polystyrene. S. A. Woski, J. B. Vincent, E. B. Yandell, N. Memon, J. A. Swindoll 334. Solid-phase synthesis of an orthogonal ly protected piperazinyl polyazapyridinophane scaffold. K. G. Sprankle, E. E. Swayze 335. Novel-linking strategy for solid-phase organic chemistry with configurationally stable α-amino carbonyl compounds: Syn thesis of enantiopure norephedrines on solid support. F. Gosselin, J. Van Betsbrugge, M. Hatam, W. D. Lubell 336. Solid-phase synthesis of pyrrolo[3,4c]pyrrole-1,3(2H,5H)-cliones. L-C. Dong, M. R. Gowravaram, J. Li, U. Dilip, G. Yao, M. A. Gallop, M. Needels 337. Nonswelling scavenger particles for par allel organic synthesis. Q. Wang, J. J. Kirkland, T. J. Langlois, L. A. Thompson 338. Palladium-catalyzed synthesis of 17-ot4-hydrazidophenylestradiol derivatives and their conversion to organoimidorhenium(V) complexes. J. B. Arterburn, R. V. Kalla, M. C. Perry 339. Use of charge-transfer interactions to control diacetylene solid-state polymeriza tions. T. Hanks, A. Crihfield, D. Phelps, W. Pennington 340. High-throughput synthesis, purification, and analysis of a computationally de signed dihydroisoquinolinone library. J. Zhou, X. Gu, J. Cohen, R. Stanton, J. Eksterowicz, D. Kassel, R. Zambias, C. M. Tarby, K. Gubemator, P. Myers 341. Synthesis of C-glycosyl amino acids and peptides via alkene metathesis. L. L. Kiessling, T. Young 342. Cupric acetate-mediated N-arylation by arylboronic acids: Solid-supported C-N cross-coupling reaction. M. Rafalski, S. Saubem, P. Y. S. Lam, A. P. Combs 343. Copper acetate-mediated N-arylation of cyclic and acyclic secondary amines on solid support. S. Tadesse, M. Rafalski, P. Y. S. Lam, A. P. Combs 344. Solid-phase synthesis of hydroxyethylamine, α-hydroxyamide, and reduced amide isosteres: Novel substrate-based inhibitors of Botulinum neurotoxin A and Β proteases. D. H. Rich, T. K. Oost, C. Sukonpan 345. Solid-phase synthesis of analogs of in testinal ACAT inhibitor RP 64477. S. R. Desai, K. Lee, D. R. Thakker 346. Combinatorial library synthesis of di amine derivatives: A general method. J. Zhou, W. J. Moree, A. Termin, C. M. Tarby


347. Preparation of oxopiperazines utilizing a Ugi multicomponent condensation fol lowed by an intramolecular version of Fukuyama's amine synthesis. C. W. Hum mel, A. D. Piscopio 348. Efficient carbamate synthesis via a three-component coupling. S-l. Kim, R. N. Salvatore, V. L. Flanders, K. W. Jung 349. Efficient synthesis of alkyl carbonates on solid phase. S-l. Kim, D. Ha, K. W. Jung 350. Solid- and solution-phase chemical li brary synthesis using an automated reac tion cassette technology. S. Bhattacharyya, L. Tamanaha, L. Vo, P. Wright, T. Deegan, J. Labadie 351. Convenient set of bidentate pyridine ligands for combinatorial synthesis. F. Wang, A. W. Schwabacher 352. Utility of pentafluorophenyl esters and scavenger resins in parallel synthesis. B. A. Steinbaugh, R. J. Booth, R. M. Ken nedy, J. C. Hodges 353. Solid-support synthesis of macrocycles targeted toward structured RNA. E. A. Jef ferson, Ε. Ε. Swayze 354. Statistical sampling of encoded combi natorial libraries as a measure of library quality. J. Guo, C. Hicks, N. Zhao, W. J. Eagan, G. Lauri, C. L. Cavallaro, R. E. Dolle 355. Solid-phase synthesis of 1,2,4-oxadiazoles. C. K. Sams, J. Lau 356. Rapid parallel synthesis utilizing micro wave irradiation. Β. Μ. Glass, A. P. Combs 357. Solid-phase synthesis of 3-aminobenzisoxazoles and application to the preparation of a directed peptide thrombin inhibitor library. M. R. Wiley, S. D. Lepore 358. Two efficient N-acylation methods of weakly acidic heterocyclic amines mediat ed by solid-supported reagents. K. Kim, K. Le 359. First 2,9-disubstituted guanine library synthesis mediated by solid-supported re agents. K. Kim, W. McComas 360. High-throughput quantitative nitrogen analysis of functionalized solid supports. T. T. Romoff, N. Shah, J. Fukuda, C. Zhou, S. Raillard, W. L Fitch 361. Reverse-phase flash technique for qual itative and quantitative analysis of sol ution-phase combinatorial library arrays. S. Ghassemi, P. C. Rahn 362. Combinatorial library approach for the identification of synthetic receptors target ing vancomycin-resistant bacteria. L. S. Kallander, R. Xu, G. Greiveldinger, L E. Marenus, A. Cooper, J. A. Ellman 363. Convenient method for generating aryl epoxides and their use in the rapid analog synthesis of a β-amino alcohol library. J. C. Barrow, K. L. Glass 364. Nonaqueous diazotization of purine nu cleosides: Mechanistic considerations and improved procedures with sodium nitrite or tert-butyl nitrite. P. Francom, S. Shibuya, M. J. Robins 365. Universal bases in peptide nucleic ac ids. S. A. Woski, H. Challa, M. L. Styers 366. Stereoselective route to 1,2-dideoxy-p1-aryl-D-ribofuranoses. S. A. Woski, U. Wichai 367. Chemical synthesis and structural char acterization of a nitrous acid interstrand cross-linked duplex DNA. E. A. Harwood, S. T. Sigurdsson, N. B. F. Edfelt, B. R. Reid, P. B. Hopkins 368. DNA binding of azinomycin analog. K. S. Gates, H. Zang 369. Preparation and characterization of a nonadjacent cyclobutane thymine dimer of the type implicated in UV-induced - 1 frameshift mutagenesis. J. M. Lingbeck, J-S. Taylor 370. Colorimetric detection of PCR amplicons using gold nanoparticle oligonucleo tide probes. G. Viswanadham, R. Elghanian, C. A. Mirkin, R. L. Letsinger 371. Synthesis of 1'-(7-azaindolyl)-2'-deoxyriboside and its phosphoramidite. H. Yu, K. Wang 372. Synthesis and site-specific incorporation of pseudouridine into model RNA hairpins. P. J. Grohar, C. S. Chow 373. Selective inhibition, separation, and pu rification of serine proteases: A strategy based on a photoremovable inhibitor. N. A. Porter, J. W. Thuring, H. Li 374. Synthesis of hydrophobic peptides and their use in the preparation of peptide bun dles. A. G. Kalivretenos, I. M. Restrepo

JULY 26, 1999 C&EN 1 1 7

ORGNATECHNICAL PROGRAM

375. Application of an /V-hydroxymethyl group to configurationally stable α-amino aldehyde derivatives. Y. G. Kim, D. W. You, J. S. Oh, D. H. Lee, S. I. Hyun 376. Exploration of a novel dimerizer se quence in creating constrained peptide li braries when anchored to terminal ends of a selected motif. T. L. Gururaja, T. Lin, D. C. Anderson 377. New chromophores for phototriggers: Extending the p-hydroxyphenacyl cage for glutamate and GABA. R. S. Givens, P. G. Conrad, J. F. W. Weber, K. Kandler 378. Synthetic studies toward furanomycin. R. Standaert, M. P. VanBrunt 379. Novel helical structure in oligomers of homochiral α-aminoxy acids. D. Yang, J . Qu, B. Li, F-F. Ng, Y-D. Wu, D-P. Wang 380. Design of macrocyclic serine protease in hibitors using a screen based on enzymatic cyclization. Κ. Κ. Haman, P. A. Bartlett 381. β-Strand formation in the solid-state via template-promoted hydrogen-bonding in teractions. Q. Yu, L. Liable-Sands, G. P. A. Yap, A. L Rheingold, A. S. Borovik 382. Nonpeptide nuclear localization signal (NLS) mimics: Synthesis and importin binding assay. M. D. Connolly, R. F. Standaert 383. Synthesis and evaluation of photoregulated phosphoamino acid mimics. S. B. Park, R. F. Standaert 384. 1,2,3-Trisubstituted cyclopropanes as conformationally restricted peptide mim ics: Enhanced binding SRC SH2 domain ligands. S. F. Martin, J. P. Davidson 385. New, efficient routes to aminosugars and azasugars, and their derivatives. T. Wang, S. Lin, X. Wu, X. Geng, I. Ojima 386. Novel N - 0 turn structures in peptides containing α-aminoxy acids. D. Yang, F-F. Ng, B. Li, J. Qu, Y-L Yan, Y-D. Wu, D-P. Wang 387. Selective export of proteins from the nu cleus using analogs of leptomycin Β. Κ. W. Vogel, J. H. Bayle, G. R. Crabtree, T. J. Wandless 388. Cyclohexanone monoxygenase with heterocyclic ketones: Substrate accep tance study. M. D. Mihovilovic, B. Muller, M. M. Kayser, J. D. Stewart, H. Frûlich, P. Stanetty, H. Spreitzer 389. First use of amano P30 lipase to achieve amidation and hydrolysis in a single pot. J. Grote, M. Adamczyk 390. Inhibition of angiotensin-converting enzyme (ACE) by silanediol analogs of the hydrated carbonyl. S. M. Sieburth, G. W. Hewitt, T. Nittoli, A. Mutahi, L. Guo 391. Phosphonate mimics of fructose 6-phosphate: Synthesis and enzymatic evaluation. D. B. Berkowitz, D. Bhuniya, M. Bose, B. Badet, M-A. Badet-Denisot, A. Desir-Chassagne 392. New π-triggers for Trojan horse inactivation of PLP enzymes. D. B. Berkowitz, W-J. Jahng, R. de la Salud-Bea, J. M. McFadden

WEDNESDAY MORNING Section A Convention Center La Nouvelle Ballroom A/B * Antibiotic Resistance: Vancomycin and Beyond Cosponsored with Division of Medicinal Chemistry

J. M. Schwab, J. Ellman, Organizers J. Ellman, Presiding 8:15—Introductory Remarks. 8:20—393. Vancomycin: Synthetic and mechanistic studies. D. L. Boger 9:15—394. Synthesis of peptide antibiotics of the vancomycin class. D. A. Evans 10:10—395. Total synthesis of vancomycin. K. C. Nicolaou, T. Bando, C. N. C. Boddy, S. Brâse, X. J. Chu, R. Hughes, N. F. Jain, A. E. Koumbis, H. Li, H. J. Mitchell, S. Natarajan, J. M. Ramanjulu, F. F. Rubsam, M. E. Solomon, M. Takayanagi, T. Y. Yue, N. Winssinger 11:05—396. Vancomycin group antibiotics: Biosynthesis and cooperativity in their action against resistant bacteria. D. H. Williams 12:00—Concluding Remarks.

1 1 8 JULY 26, 1999 C&EN

Section Β

Section D



Organic and Inorganic Synthesis via Boranes Cosponsored with Division of Inorganic Chemistry

Protein, Peptides, and Amino Acids

R. L. Halcomb, Organizer J. A. Shin, Presiding


8:40—412. Targeting the DNA major groove with dimeric helical proteins. J. A. Shin, A. R. Lajmi, M. E. Lovrencic, T. R. Wallace 9:00—413. Oxidative modification of phosphoglucose isomerase with chloroamineT: A kinetic study. R. E. Rodriguez, Β. Ε. Jackson 9:20—414. Efficient introduction of aryl bro mide functionality into proteins in vivo. N. Sharma, D. A. Tirrell 9:40—415. Template-constrained cyclic pep tides based on NGR and RGD for binding ανβ3· R. P. Cheng, M. A. Scialdone, W. F. DeGrado 10:00—416. Stabilization of leucine zipper coiled coils by introduction of trifluoroleucine. Y. Tang, D. A. Tirrell 10:20—417. Adhesive peptides containing dihydroxyproline. C. M. Taylor, C. A. Weir 10:40—418. Preparation and incorporation into small peptides of phosphohistidine an alogs: Study of prokaryotic two-component signal transduction systems. M. C. Pirrung, T. Pei, S. J. Drabik, K. V. Gothelf 11:00—419. Efficient construction of a-hydroxy-p-aminoamides and peptidyl α-ketoamides via the Passerini reaction: New synthetic technology. J. E. Semple 11:20—420. Organophosphorus analogs of S-adenosyl-L-methionine. P. B. Sampson, J. F. Honek 11:40—421. Microwave-assisted simplification of the Akabori method of peptide analysis. Y-H. Ing, B. N. Pramanik, A. K. Bose, A. Bhattacharjee, N. Lavlinskaia, C. Sareen

Practical, Efficient, Scalable, Cost-Effective Syntheses Process R&D, Pilot Plant, and Industrial Production

Chemistry of Fullerenes and Related Carbon Nanostructures cosponsored with Materials Chemistry Secretariat (see page 64)

R. L Halcomb, Organizer F. J. Weiberth, Presiding

WEDNESDAY AFTERNOON

H. C. Brown, P. V. Ramachandran, Organizers P. V. Ramachandran, Presiding 8:20—Introductory Remarks. 8:30—397. Alkene syntheses via organoboranes. A. Pelter 9:00—401. Synthesis of heterocyclic com pounds by domino-hydroformylation-allylboration-hydroformylation reactions. R. W. Hoffmann, D. Bruckner, V. J. Gerusz, J. Kruger 9:30—399. Designer Lewis acid catalysts of boron. H. Yamamoto 10:00—400. Stereocontrolled synthesis of concanamycin F using chiral boron enolates. I. Paterson, V. A. Doughty, M. D. McLeod 10:30—398. Rhodium-catalyzed addition of organoboronic acids to aldehydes and enones. N. Miyaura 11:00—402. Hydrometallation and carbometallation of alkynyl- and alkenylboranes and hydroboration of alkynyl- and alkenylmetals. E-l. Negishi 11:30—403. Boranes in developing of tumortargeting agents for boron neutron capture therapy. A. H. Soloway, W. Tjarks, J-C. Zhuo, R. F. Barth 12:00—Concluding Remarks.

Section C

8:30—404. Synthesis of squalamine via nov el spermidine equivalents. W. A. Kinney, B. Shao, X. Zhang, A. L. Weis, T. Bakos, I. Alferiev 8:50—405. Properly tuned first fluoridecatalyzed TGME-mediated amination pro cess for chloroimidazoles: Inexpensive technology for antihistaminic norastemizole. Y. Hong, C. H. Senanayake, T. Xiang, H. S. Wilkinson, R. P. Bakale, A. R. Jurgens, M. F. Pippert, H. Butler, S. A. Wald 9:10—406. Chiral mandelic acid template provided a highly practical solution for (S)oxybutynin synthesis. C. H. Senanayake, P. T. Grover, S. A. Wald 9:30—407. Tandem asymmetric conjugate cuprate addition-alkylation synthesis of nonracemic indanes. L. N. Pridgen, K. Huang, C. Kowalski, N. Baine, W. Clark, Y. Andemichael, A. Eldridge, I. Lantos, R. Mills, C. DeBrosse, K. Tubman, S. Shilcrat 9:50—408. New synthetic routes to 3-(1piperazinyl)-1,2-benzisothiazole: Nucleus for atypical antipsychotic drugs. S. W. Walinsky, D. E. Fox, J. F. Lambert, T. G. Sinay 10:10—409. Process development of a roxifiban intermediate: Dynamic enzymatic resolution using thiolesters. J. A. Pesti, J. Yin, L-H. Zhang, L. Anzalone 1:30—410. Practical asymmetric synthesis of an endothelin receptor antagonist. Z. Song, M. Zhao, R. Tillyer, R. Desmond, D. M. Tschaen, P. Devine, L Frey, R. Heid, B. Foster, J. Li, R. Volante, U. H. Dolling, E. J. J. Grabowski, P. J. Reider, S. Okada, Y. Kato, E. Mano 1:50—411. Practical synthesis of the broad spectrum carbapenem antibiotic MK-0826. B. Pipik, K. Wiedbrauk, F. R. Tsay, K. M. J. Brands, J. M. Williams, U. H. Dolling, P. J. Reider

Section A Convention Center La Nouvelle Ballroom A/B Technical Achievements in Organic Chemistry Awards Outstanding BS- and MS-Level Organic Chemists Who Have Contributed Significantly to Their Company's Success Cosponsored with Younger Chemists Committee

A. W. Czarnik, Organizer, Presiding 1:00—Introductory Remarks. 1:05—422. Modified Lewis acids as RHstable ionic conductors for use in lowmodulus polyurethanes. W. B. Vreeland 1:30—423. Automation in screening and op timization of reaction conditions in chemi cal process development. L-J. Ping, J. Hiebl, L. C. Hsu, E. C. Webb 2:00—424. High-throughput purification of solution-phase periodinane-mediated oxi dation reactions utilizing a novel thiosuifate resin. J. J. Parlow, B. L. Case, T. A. Dice, M. S. South 2:30—425. Synthetic studies in the search for novel phosphatase inhibitors. P. J. Dollings, F. O. Adebayo, M. M. Antane, W. Baeder, C. E. Caufield, A. Dietrich, A. H. Katz, R. E. McDevitt, S. Pan, L. Seestaller, J. R. Taylor, C. M. Moxham 3:00—426. Total synthesis of (S)-3/v-[/V-(benzothiophene-2-carbonyl)-L-leucinyl]amino[15Λ/)-1 /V-[3-(2-pyridyl)phenylacetyl]aminobutan-2-one-[2,3,4-13C]: A selective inhib itor of cathepsin K. A. J. Villani, X. Peng, D. Saunders, D. Yamashita, J. R. Heys 3:30—427. Design and synthesis of novel selectin inhibitors. P. M. Thakker, N. Kaila, S. Tarn


4:00—428. Synthesis of azetidinyl oxazolidinones: A new class of potent and highly water-soluble antibacterial agents. R. L. Hoffman 4:30—429. Preparation of 1,3,4-trisubstituted and 1,2,3,4-tetrasubstituted pyrroles and their anti-inflammatory activity. J. L. Bullington, J. C. Cameron, G. R. Heintzelman, D. E. Cavender, S. A. Wadsworth, G. C. Olini, B. Fahmy, J. H. Dodd, J. J. Siekierka 5:00—430. Selected highlights from a career in pharmaceutical research. H. S. Wong, I. Monkovic, D. Vyas, J. Golik, D. A. Benigni, K. L. Shultis, T. Kaneko 5:30—Concluding Remarks.

Section Β Convention Center Room R02-R03 Organic and Inorganic Synthesis via Boranes Cosponsored with Division of Inorganic Chemistry

D. Matteson, Presiding 1:00—Introductory Remarks. 1:05—431. Synthesis of amine derivatives from organoboronic acids. N. A. Petasis 1:35—432. Solventless Suzuki-coupling re actions on alumina. G. W. Kabalka, C. M. Hair, J. L. Noms, R. M. Pagni 2:05—433. New asymmetric organoborane conversions with 10-TMS-9-BBD systems. J. A. Soderquist, K. Matos, C. H. Burgos, C.Lai 2:35—434. Synthesis of conjugated dienes, diene-allenes, enediynes, enyne-allenes, and related compounds via organoboranes. Κ. Κ. Wang 3:05—435. Tris(pentafluorophenyl)boroncatalyzed reduction of alcohols and ethers with hydrosilanes. Y. Yamamoto, V. Gevorgyan, J. X. Liu 3:35—436. Catalytic asymmetric borane re duction of α-functionalized ketones. Β. Τ. Cho, Y. S. Chun 4:05—437. Organoboranes for fluoro-organic syntheses: Transition-metal-catalyzed hydroborations of perfluoroalkyl(aryl)ethylenes. P. V. Ramachandran, M. P. Jennings 4:35—438. Borohydride exchange resinnickel boride: A versatile reagent for or ganic synthesis. N. M. Yoon 5:05—Concluding Remarks.

Section C Convention Center Room R04-R05 Molecular Recognition, Host-Guest, Receptors, and Self-Assembly

R. L. Halcomb, Organizer O. Phanstiel IV, Presiding 1:10—439. Nanoconstruction in water using 1,1-cycloalkane diamide diacids. O. Phan stiel IV, M. Richardson, F. W. Breitbiel III, D. Seconi 1:30—440. Design, synthesis, and selfassociation behavior of water-soluble fa cial amphiphiles. L. Isaacs, D. Witt, J. C. Fettinger 1:50—441. Bulk solvent "temptation" in the self-assembly of deep-cavity cavitands. B. C. Gibb, C. L. D. Gibb, H. Xi, E. D. Stevens 2:10—442. Self-assembled cylindrical hexamer encircling two toluene molecules. R. B. Grossman, M. A. Varner, B. O. Patrick 2:30—443. Solid-state and solution structure of a G-tetraplex in organic solvents. S. L. Forman, J. T. Davis, J. C. Fettinger 2:50—444. Mechanism of metal and ligand exchange in the supramolecular complex: lsoguanosine10-Cs+. M. Cai, J. T. Davis 3:10—445. Diazatrithia-crown ethers con taining two 8-hydroxyquinoline side arms as transition-metal ion sensors. J. S. Bradshaw, R. T. Bronson, P. B. Savage, K. E. Krakowiak, R. M. Izatt 3:30—446. New series of metal-ion-sensitive squaraine-based fluorescent chemosensors. E. U. Akkaya, G. Dilek 3:50—447. Cooperative, fluorescent chemosensors for dicarboxylic and amino acids. R. J. Moran, T. E. Glass 4:10—448. Design, synthesis, and study of a novel potassium sensor. W-S. Xia, R. H. Schmehl, C-J. Li 4:30—449. Similarity rule and complementa rity rule. S-K. Lin

Section D Convention Center Room R06 Asymmetric Techniques, Reactions, and Syntheses R. L. Halcomb, X. Zhang,

Organizer

Presiding

1:20—450. Recent advances in asymmetric catalytic C-C bond-forming reactions. X. Zhang, P. Cao, B. Wang, X. Hu 1:40—451. New systems for catalytic asymmetric epoxidation. P. C. Bulman Page, G. A. Rassias, D. Bethell 2:00—452. Perfluoroalkyl-BINOLs for asymmetric catalysis. Y. Tian, K. S. Chan 2:20—453. First identification of a rutheniumalkoxide catalyst species in catalytic enantioselective ketone hydrogénation. S. H. Bergens, C. J. A. Daley, J. A. Wiles 2:40—454. New strategies for the asymmetric hydrocarboxylation and hydro-hydroxymethylation of vinyl arènes. C. M. Crudden, A. Chen, L. Ren 3:00—455. Diastereoselectivity in the methylation, reduction, and Grignard reaction of 3-aryl-3a,4,5,6,7,7a-hexahydro-1,2benzisoxazol-4-ones and 3-aryl-3a,5,6,6atetrahydro-4H-cyclopenta-1,2-isoxazol-4ones. H. R. Kim, E. K. Ryu, H. J. Park, S. I. Shin, D. J. Jeon 3:20—456. Synthesis and application of novel c/s-decalin-type chiral ligands. M. C. Kozlowski, C. A. Evans, J. W. Skudlarek, X. Li 3:40—457. Asymmetric titanium-catalyzed reduction of imines. S. L. Buchwald, M. C. Hansen 4:00—458. New amine-imine ligands in asymmetric palladium-catalyzed allylic alkylates. D. V. McGrath, H. Chen, J. A. Sweet, J. M. Cavallari 4:20—459. Proline-based P,N ligands in palladium-catalyzed asymmetric π-allylic additions and Heck reactions. S. R. Gilbertson, D. Xie, Z. Fu 4:40—460. Developing new chiral phosphines for transition-metal-catalyzed asymmetric hydrogénations. X. Zhang, W. Li, Q. Hu, B. Wang, Z. Zhang

Section Ε Convention Center Room R01 Fullerenes, Novel Aromatics, and Aromatic Chemistry

R. L. Halcomb, Organizer A. Necula, Presiding 1:30—461. Thermal carbene deinsertion of five-membered rings. L. T. Scott, A. Necula 1:50—462. Toward sixfold functionalization of fullerene Ceo w i t h fully addressable oc tahedral locations. W. Qian, Y. Rubin 2:10—463. Nonpyrolytic approach to ful lerene substructures. D. J. Marquardt, T. Mitchell 2:30—464. Thermoreversible materials based on fullerene Diels-Alder methodolo gy. V. Rotello, F. Ilhan 2:50—465. Cooperative interactions in heli cally folded phenylene ethynylene oli gomers. R. B. Prince, L. Brunsveld, E. W. Meijer, J. S. Moore

*

AGRICULTURAJL CHEMISTRY

• •


A


M • *

PHARMACEiniCALS, MEDICINE & BIOLOGICAL CHEMISTRY

3:10—466. Derivatives of /V-benzyl-2phenylpyridinium bromide as models for the face-to-face, edge-to-center π-stacking motif: Solution and solid-state studies. A. Cammers-Goodwin, C. B. Martin, H. R. Mulla, P. G. Willis, B. O. Patrick 3:30—467. Stepwise assembly of sitespecifically functionalized dehydrobenzoannulenes: Syntheses, characterization, and their chemistry. M. M. Haley, J. J. Pak 3:50—468. Cycloaromatization reactions for the synthesis of fused aromatic systems. J. E. Anthony, D. M. Bowles, G. J. Pal mer, C. A. Landis • Antibiotic Resistance: Vancomycin and Beyond cosponsored with Division of Medicinal Chemistry (see page 109) Chemistry of Fullerenes and Related Carbon Nanostructures cosponsored with Materials Chemistry Secretariat (see page 64)

WEDNESDAY EVENING Hilton Riverside Grand Salon C/D Poster Session Heterocycle, Aromatics, New Reactions and Techniques, Environmentally Friendly Reactions, Asymmetric Reactions, Syntheses Targeted Toward Complex Molecules, Structure Elucidation, and NMR Spectroscopy

R. L. Halcomb, Organizer, Presiding 6:00-8:00 469. Synthesis and reactions of 5-hydroxy2,3-dihydrobenzofurans: New model com pounds for bioantioxidants. U. Schâdel, W. D. Habicher 470. Heterocycles in peptide chemistry. S. J . Hollis, J. N. Iley, R. C. F. Jones 471. Preparation of pyrrolin-2-ones and 4,5dihydrodipyrrinones by oxidation with hydrogen peroxide. C. Pichon-Santander, A. I. Scott 472. Synthesis of helical heterocyclic strands and progress toward their chiral induction and polymerization. J-M. Lehn, Κ. Μ. Gardinier 473. Pyrylium salts via electrophilic cyclization: Applications for 3-arylisoquinoline syntheses. J. D. Tovar, T. M. Swager 474. Synthesis and application of 2-styryl-6/ 7-bromothiazolo[4,5-6]quinoxaline-based fluorescent dyes. D. W. Rangnekar, N. D. Sonawane, R. W. Sabnis 475. Toward a reaction model for the oneflask synthesis of porphyrins. G. R. Geler III, J. S. Lindsey 476. DFT proton affinity study of cyclic vinyl ethers and cycloalkenes. T. D. Power, J. F. Sebastian 477. Synthesis of labeled piperidines: Appli cation toward the synthesis of deuterated loratadine and desloratadine. G. C. Bignan, P. McNamara, J. I. Lee 478. Introducing fluorine into thiophene ring using the Schiemann reaction. F. Kobarfard, J. M. Kaufmann 479. Analysis of ring-nitrogen electron densi ty in acridine derivatives. E. R. Johnson, M. D. Mosher 480. Synthesis and characterization of 3,1,4benzoxadiazepin-2,5-diones. P. K. Bridson, Y. Hu 481. Iterative solid-phase synthesis of oligomeric heterocycles. B. B. Wang, L. J. Higgins, S. P. Rowe, P. J. Smith 482. Free-base porphyrin and its mesotetrahalogenated derivatives. K. A. Nguy en, R. Pachter 483. Synthesis and properties of longwavelength BF2-dipyrromethene fluores cent dyes. J. Chen, A. Burghart, K. Burgess 484. Fluorescent tags designed for throughbond energy transfer. A. Burghart, L. Thoresen, J. Chen, H. Kim, K. Burgess 485. Synthesis of thiazolines from secondary and tertiary amides: Spectroscopic studies and applications. A. B. Charette, C. Berthelette, P. Chua 486. Reactions of 5-arylthianthreniumyl perchlorates with potassium fert-butoxide in dimethyl sulfoxide: Complete regioselective synthesis of 2-(arylsulfinyl)diphenyl sulfides. J. Kim, K. S. Kim, K. Kim

487. Neesiinosides A and B: Two new diphyllin glycosides from Justicia neesii ramamoorthy. G. V. Subbaraju, D. Rajasekhar, J. I. Jimenez 488. Synthesis of 1,7-bis (4-hydroxyphenyl)3-hydroxy-1,3-heptadiene-5-one, an anti platelet metabolite of A. blepharocalyx K. Schum. S. Venkateswarlu, M. S. Ramachandra, M. Rambabu, G. V. Subbaraju 489. Hydrolysis reactions of Λ/,Ο-diacetyl de rivatives of carcinogenic NHOHGIu-P-1 and NHOHGIu-P-2. K. Toth, M. Novak 490. Tetrahydroquinolines generated from anthranilic alcohols. D. T. Parker, B. Mugrage, T. S. Parker, H. Li, C. Boehm 491. Chemical oxidation of thiophenes to thiophene oxide cycloadducts found as bacterial metabolites. A. W. T. King, D. R. Boyd, N. D. Sharma 492. Direct synthesis of metalla-aromatics and valence isomers from functionalized, nucleophilic 3-vinylcyclopropenes. M. M. Haley, R. 0. Giibertson, E. A. Bercot, T. L. Lau 493. Boron trifluoride mediated synthesis of 3-methyl-1,2-dihydronapthalenes. G. W. Kabalka, R. R. Malladi, N-S. U, D. Tejedor 494. Mechanistic investigation into the forma tion of polycyclic aromatic hydrocarbons from pyrolysis of biomass model com pounds. J. R. Ammann, P. F. Britt, A. C. Buchanan III 495. Synthesis of polychlorinated biphenyls (PCB) and metabolites: Tools to investi gate their metabolic activation. H-J. Lehmler, L. W. Robertson, Â. Κ. Ε. Bergman, C. P. Brock, B. Patrick 496. 6-Halo benzo[a]pyrene 7,8-dihydrodiol analogs: Synthesis, chiral separation, and CD properties. B. Zajc, R. Grahek, A. Kocijan, M. K. Lakshman, J. Koômrij, J. Lah 497. Simple, efficient synthesis of 2-(/Vphenylamino)benzoic acids. J. Magano, M. H. Chen, S. J. Kesten, H. Lee, E. Njolito, J. K. Pontrello 498. Synthesis of 11H-benzo[6]fluoren-11ols and related polyaromatic compounds via biradicals generated from benzoenyneallenes. K. K. Wang, H-R. Zhang, H. Li 499. Conjugate base of benzocyclobutadiene: Synthesis and energetics. S. R. Kass, K. M. Broadus 500. New, two-step method for indenoannulation of polycyclic aromatic hydrocarbons. L. T. Scott, D. V. Preda 501. Macrophomate synthase: Unusual enzyme catalyzing multiple reactions from 2-pyrone to benzoate. H. Oikawa, K. Watanabe, K. Yagi, S. Ohashi, T. Mie, A. Ichihara, M. Honma 502. Novel synthesis of 2-pyrones from carbon dioxide and unsaturated ketones in the presence of an ethylzinc carbamate. M. Zhou, Y. Yoshida, S. Ishii, H. Noguchi 503.Synthesisof1,2-diphenyl-/\Aphenylaminoethanones using microwave irradiation in the absence of solvents. R. Alba, L. Ballester, L. Alfonso, A. Marrero, A. Loupy 504. Graphite-catalyzed acylative cleavage of ethers and sulfides with acyl halides. M. Kodomari, Y. Suzuki, M. Matsushima 505. Conversion of alcohols to halides using a filterable source of phenylphosphine. J. F. Sagal, M. P. Pollastri, G. Chang 506. Development of early-transition-metal phosphametallocenes as nucleophilic catalysts. T. K. Hollis, L-S. Wang 507. Bidentate organoaluminum Lewis acid: Development and application in organic synthesis. K. Maruoka, M. Takahashi, T. Ooi 508. Novel, nonaqueous method for regeneration of aldehydes from bisulfite adducts. M. J. Semo, D. P. Kjell, B. J. Slattery 509. Synthesis of functionalized guanidines and bisguanidines from an aromatic amine. W. C. Stevens Jr., P. S. Portoghese 510. Trisubstituted alkene synthesis using the Baylis-Hillman adducts: Stereoselective synthesis of (£)- and (Z)-tertiary allyl amines and (E)-allyl nitrates. D. Basavaiah, S. H. Rachakonda, R. M. Reddy, N. Kumaragurubaran


511. Electrophilic fluorination of aromatic amines using /V-fluoro-N-hydroxy-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate). J. H. Tidwell, J. R. Cowan 512. Highly efficient aminohydroxylation of unsaturated carboxylic acids. V. V. Fokin, W. C. Pringle, K. B. Sharpless 513. Simple, convenient synthesis of β-aminoketones from amides via domino pro cess. A. Gomtsyan 514. Rapid decolorization of reaction mix tures using prepacked disposable cartridg es. S. Ghassemi, P. C. Rahn 515. Effects of solvent type and strength in flash separations. J. R. Bickler, P. C. Rahn 516. Novel protection of carbonyl com pounds: Scandium triflate-catalyzed effi cient, selective cleavage of ketals and ac etate. R. J . Lu, M. A. Eissenstat 517. Enolate dianions via reductive ring opening of 2-methyleneoxetanes. A. R. Howell, M. Hashemzadeh 518. 2,3-Dichloro-5,6-dicyanobenzoquinoneinduced carbon-carbon bond-coupling re actions with carbon nucleophiles at the benzylic center of electron-rich benzyl alkyl ethers. Y-C. Xu, S. X. Liang, D. T. Kohlman 519. Remote functionalization of steroids with chromyl acetates. E. J. Parish, T. L. Boos, N. Aksara 520. Synthesis of 4-methylene-4-ene-3-one steroid dinners. E. J. Parish, Z. Rao, H. Sun 521. Novel synthetic approaches to cholest4,6-dien-3-one: An important intermediate in steroid synthesis. E. J. Parish, H. Sun, Z. Rao 522. Novel epoxidation reaction of olefins us ing the combination of chloramine-M, benzaldehyde, and BTEAC. D. Yang, C. Zhang, X-C. Wang 523. N-Arylations with triphenylbismuthane. R. J. Sorenson 524. Treatment of certain osubstituted benzaldehydes with nitronium tetrafluoroborate in acetonitrile gives nitrated α,α-bisacetamido toluenes. D. Liu, R. A. Hill 525. Preparation of /V-acyl derivatives of ami no acids from acyl chlorides and amino acids in the presence of cationic surfac tants: A variation of the Schotten-Baumann method of benzolyation of amino ac ids. B. S. Jursic, D. M. Neumann 526. Dechlorination of organic compounds with zinc dust in the presence of alkali metal halides. B. S. Jursic, C. Melara 527. Novel reaction of exo norbornene oxide with trifluoromethylsulfenyl chloride. S. Munavalli, D. K. Rohrbaugh, D. I. Rossman, F. J. Berg, H. D. Durst 528. Reaction of trifluoromethylthiocopper with styrene oxide. S. Munavalli, D. K. Rohrbaugh, D. I. Rossman, L. R. McMahon, H. D. Durst 529. Organomagnesium reactions in an aqueous environment. B. S. Jursic, L. K. Ragas 530. Tetrahydropyran synthesis: Indium chloride-mediated tandem allylation-cyclization. G. S. Viswanathan, J. Yang, C. K. Keh, C-J. Li 531. Tetrahydropyran synthesis: Indium chloride-mediated cross-coupling. J . Yang, G. S. Viswanathan, C-J. Li 532. Tetrahydropyran synthesis: Indiummediated synthesis of bergenin and deriv atives. X-G. Hua, C-J. Li 533. Indium- and indium halide-mediated re actions in water: Synthetic study of gonioheptolides. S. Venkatraman, C-J. Li 534. Synthesis of 3-aminodigoxigenin and 3-aminodigitoxigenin probes. J. Grote, M. Adamczyk 535. Simple method to utilize primary amides as the nitrogen source in the catalytic asymmetric aminohydroxylation of olefins. Z. P. Demko, M. Bartsch, Κ. Β. Sharpless 536. Boron-mediated double aldol reaction of carboxylic esters. S. Masamune, A. Abiko, J-F. Liu, D. C. Buske, S. Moriyama 537. Synthesis and preliminary testing of (fl)and (S)-8-(2-diphenylphosphino-1 -naphthyl)quinoline: A novel ligand for asymmet ric catalysis. K. M. Marcantonio, M. C. Kozlowski 538. Spontaneous resolution and intercon version of enantiomers in 2-imino-5-phenyl-4-oxazolidinone (Pemoline). P. J. Bonk, Y. Pan, S. S. Ulrey, L. J. Suarez, J. L Schmit

JULY 26, 1999 C&EN 1 1 9

ORGN/PETR/TECHNICAL PROGRAM

539. Synthesis of bicyclic cyclopropylamines from intramolecular cyclopropanation of amino acid derivatives. B. Cao, D. Xiao, M. M. Joulllé 540. Highly diastereoselective asymmetric thio-Claisen rearrangements. S. He, S. A. Kozmin, V. H. Rawal 541. Novel Cp*Rh complex for asymmetric transfer hydrogénation of the C=N bond with high enantioselectivity. J . Mao, D. C. Baker 542. Design and synthesis of symmetrical turn structures using imines. G. Noronha, Κ. Τ. Nguyen 543. Asymmetric catalysis using high-sym metry complexes. H. M. L. Davies, S. A. Panaro, T. Nagashima, K. Norman 544. Enantioselective Diels-Alder reactions: Effect of the achiral template on selectivity and reactivity. M. P. Sibi, J-X. Chen 545. Enantioselective total synthesis of deoxyfrenolicin and related pyranonaphthoquinone natural products via DDQ-induced, stereoselective C-C bond coupling of naphthopyrans with carbon nucleophiles. Y-C. Xu, D. T. Kohlman, C. Erikkson 546. Advantage of c/s-isopropylidene acetals as tether control groups for the asymmet ric synthesis of decalins. A. Melekhov, S. Legoupy, P. Forgione, M. L. Lee, A. Fallis 547. Enantioselective 1,2-aziridinomitosene synthesis via a chemoselective carbonhydrogen insertion reaction of a metal car bone. G. A. Sulikowski, S. Lee, W-M. Lee 548. Synthetic approach to the novel cholecystokinin (CCK)-B receptor antagonist tetronothiodin. P. C. Bulman Page, K. J. Batchelor, S. J. Hindley 549. Tedanolide and 13-deoxytedanolide: Synthesis of the common C(1)-C(11) subunit. S. A. Lodise, A. B. Smith III 550. Quinone approach to the synthesis of aflatoxin B2. W. E. Noland, B. L. Kedrowski 551. Advances in the total synthesis of amphidinolide A. R. E. Maleczka Jr., L. R. Terrell, J. Ward III 552. Convenient, chemoselective method for the O-methylation of hydroxypyridines. D. D. Johnson, M. Adamczyk, R. E. Reddy 553. Convenient method for the preparation of 3-hydroxy-4,5-substituted pyridines: Ap plication to the synthesis of racemic deoxypyridinoline. D. D. Johnson, M. Adam czyk, R. E. Reddy 554. Efficient chiral synthesis of natural deoxypyridinoline. R. E. Reddy, M. Adam czyk, D. D. Johnson 555. Thyroxine reagent for resolution of hydroxyamino acids: Application to the syn thesis of natural pyridinoline. R. E. Reddy, M. Adamczyk, D. D. Johnson 556. Synthesis of estradiol-mimetic haptens and conjugates. Y-Y. Chen, M. Adamczyk, P. G. Mattingly, J. A. Moore 557. Intramolecular [2+2] thermal keteneallene cycloadditions: Studies toward the synthesis of CP-225,917. K. L. McCaleb, R. L. Halcomb 558. Studies toward the total syntheses of polyene-containing natural products. N. Henaff, A. Whiting 559. Convergent synthetic approach to thyrsiferyl 23-acetate. I. C. Gonzalez, C. J. Forsyth 560. Novel synthesis of the decalin core of dysidiolide. D. Demeke, C. J. Forsyth 561. Studies directed toward a total synthe sis of methyllycaconitine. G. A. Kraus, E. V. Dneprovskaia 562. Bioactive fungal metabolites CP263,114 and CP-225,917: Progress to ward the synthesis. G. A. Sulikowski, R. M. Corbett, F. Agnelli, R. Pongdee 563. Progress on the total synthesis of apoptolidin. G. A. Sulikowski, B. Jin, W-M. Lee, B.Wu 564. Synthesis and characterization of a re action intermediate analog of biotin car boxylase. R. M. Strongin, D. R. Amspacher, C. Z. Blanchard, F. R. Fronczek, M. C. Saraiva, G. L. Waldrop 565. Studies toward the total synthesis of L-755,807: A novel nonpeptide bradykinin inhibitor. A. J. Clark, J. M. Ellard 566. Enantioselective synthesis of the potent antitumor agent hydroxymethylacylfulvene (HMAF). K. M. Brummond, J . Lu 567. Synthetic studies toward tetrahydrocan nabinol and its analogs. P. J. Parsons, T. D. Sparks, M. Finnen 568. Chemical approach to the biosynthesis of manumycin group metabolites. Y. Hu, H. G. Floss

1 2 0 JULY 26, 1999 C&EN

569. Syntheses and properties of mono- and dipyrenylperfluoroalkanes. D. Wiedenfeld, S. Niyogi, D. Chakrabarti 570. Structural elucidation of descladinose azithromycin-3,6-(4-azacyclohexyl) ketal by 1- and 2-D NMR spectroscopy. M. L. Minich, K. M. Lundy 571. Unexpected deshielding effect at the α-carbons of β-thiolactones. Y. G. Kim, H. B. Lee, B-S. Lee, H-Y. Park 572. 2-lmidazolines in annulation studies. P. A. Dimopoulos, R. C. F. Jones 573. Hetero [4+2] and [2+2] cycloaddition re actions of electron-deficient allenamine and ynamines. L-L. Wei, R. P. Hsung, C. A. Zificsak, H. Xiong, C. J. Douglas, G. M. Golding, T. W. Pierson 574. Synthesis of 5,6-dihydro-4-hydroxy-2pyrones via formal hetero Diels-Alder re actions. K. Liu, L. Xu, A. B. Jones

10:00—592. Are there directing effects in orthometallation? Mechanistic investigations of simple aromatic substrates. S. T. Chadwick, R. A. Rennels, D. B. Collum 10:20—593. One-pot, one-operation [3+3] annulation approach to benzothiazines. M. Harmata, N. Pavri 10:40—594. Palladium(ll)-catalyzed synthe sis of eight-membered ring heterocycles via intermolecular cyclocarbonylation re actions. B. M. El AH, G. Vasapollo, A. Scarpa, G. Mele 11:00—595. Palladium-catalyzed coupling of aryl bromides with aryl boranes, alkenes, and alkynes to produce biaryls, substituted alkenes, and alkynes. D. De, D. J. Krogstad 11:20—596. Desymmetrizations on phos phorus templates using ring-closing met athesis. P. R. Hanson, D. S. Stoianova

THURSDAY MORNING


Section C Section A Convention Center Room R02-R03

Combinatorial Chemistry Techniques, Including Catalyst and Ligand Discovery, and Library Generation

Total Syntheses of Complex Molecules of Biological Interest

R. L. Halcomb, Organizer K. Kim, Presiding

R. L. Halcomb, Organizer M. S. Hemenway, Presiding 8:00—575. Microbial hydroxylation of N-substituted 7-azabicyclo[2.2.1]heptanes and its application to a total synthesis of epibatidine. M. S. Hemenway, H. F. Olivo 8:20—576. Total synthesis of tamandarin A. B. Liang, P. Portonovo, M. D. Vera, W-C. Chen, D. Xiao, M. M. Joullié 8:40—577. Total synthesis of zaragozic acid A based on the acetal [1,2]-Wittig rearrangement. K. Tomooka, M. Kikuchi, K. Igawa, M. Suzuki, T. Nakai 9:00—578. Total synthesis of (+)-amphidinolide K. D. R. Williams, K. G. Meyer 9:20—579. Nickel catalysis in the stereoselective preparation of quinolizidine, pyrrolizidine, and indolizidine alkaloids: Enantioselective total synthesis of (+)-allopumiliotoxin 267A. X-Q. Tang, J. Montgomery 9:40—580. Synthesis of (-)-alantrypinone. D. J. Hart, N. Magomedov 10:00—581. Total synthesis of elaiolide. I. Paterson, H-G. Lombart, C. Allerton 10:20—582. Regiospecific-directed ortho metallation route to chromenes: The first two total syntheses of plicadin, a coumestan from Psoralea plicata. V. A. Snieckus, B. A. Chauder, A. V. Kalinin 10:40—583. Azalide 3,6-ketals: Discovery of a novel class of azalide antibiotics. M. L. Minich, K. M. Lundy, R. J. Rafka, B. J. Morton 11:00—584. Synthetic pathways to cleistopholine and related analogs. A. P. Krapcho, M. Ellis 11:20—585. Synthesis toward [MeOTic5]didemnin B. J. E. Tarver Jr., A. J. Pfizenmayer, M. D. Vera, X. Ding, B. Liang, M. M. Joullié 11:40—586. Approach to the total synthesis of cylindrospermopsin. S. M. Weinreb, S. P. Keen, G. R. Heintzelman, W-K. Fang

Section Β Convention Center Room R04 Metal-Mediated Reactions and Syntheses

R. L. Halcomb, Organizer P. R. Hanson, Presiding 8:20—587. Temperature-dependent [2+2] and [2+2+2] cycloaddition of oxa- and azabenzonorbomadienes with alkynes cata lyzed by nickel complexes. T. Sambaiah, D. J. Huang, C. H. Cheng 8:40—588. Carboxylation and esterification of functionalized arylcopper reagents. G. W. Ebert, W. L. Juda, R. H. Kosakowski, B. Ma, K. E. Cummings, L. Dong 9:00—589. Homo- and cross-coupling reac tions of alkynylsilanes mediated by a copper(l) salt. Y. Nishihara, K. Ikegashira, K. Hirabayashi, A. Mori, T. Hiyama 9:20—590. Preparation and application of electron-poor benzylidene Fischer carbene complexes. V. P. Uptak, W. D. Wulff 9:40—591. Zirconium-mediated allylations: A diastereoselective approach to the myriaporones. R. E. Taylor, J. P. Ciavarri, B. R. Hearn

8:30—597. Chemoselective purification me diated by solid-supported reagents: The application to purine library synthesis. K. Kim, W. McComas 8:50—598. Synthesis of covalent dimer mol ecules and libraries to explore cellular sig nal transduction initiation. A. S. Wagman, K. B. Pfister, V. Shyamala, W. M. Kavanaugh, H. Khoja, J. M. Nuss, S. Unger, R. N. Zuckermann 9:10—599. Synthesis of catalyticaily active polymers by means of ROMP. C. Bolm, C. Tanyeli, C. L. Dinter, A. Seger, A. Grenz 9:30—600. Combinatorial synthesis of hapalosin mimetics. J. Nielsen, J. A. Olsen, K. J. Jensen 9:50—601. Solid-phase syntheses of a 4,7diamino-3,4-dihydro-2-quinolinone library. Y. Pel, J. Deng, S. Lu 10:10—602. New approach for preparation of 2,3,7-trisubstituted tetrahydroisoquinoline libraries on solid phase. Y. Ni, K. Motesharei, V. Krchnak, M. Lebl 10:30—603. Parallel synthesis of alkyl tetrazole derivatives using solid-support chem istry. D. P. Matthews, J. E. Green, A. J. Shuker 10:50—604. Solid-support synthesis of nitro gen-containing heterocycles on aldehydefunctionalized resins. A. Mazurov, O. Issakova, N. Sepetov 11:10—605. Photogenerated acids in solu tion: Applications in light-directed deprotection of acid-labile protection groups. J. P. Pellois, E. Leproust, X. Gao, X. Zhou

Section D Convention Center Room R08 Nucleic Acids, Oligonucleosides/tides, DNA Intercalators, Binders, Cleavers, and Mimics

R. L. Halcomb, Organizer A. M. Baranger, Presiding 8:10—606. Comparison of the contributions of stacking interactions and hydrogen bonds to the stability of a protein-RNA complex. A. M. Baranger, J. S. Shiels, S. J. Nolan, J. Tuite, K. C. Cecere 8:30—607. Single- and double-proton trans fer in the aggregate between cytosine and guaninediazonium ion. R. Glaser, M. Lewis 8:50—608. Arrayed primer extension on DNA microchips (APEX): Molecular com putation of satisfaction (SAT) problems. M. C. Pirrung, R. V. Connors, A. L. Odenbaugh, M. P. Montague-Smith, N. G. Walcott, J. J. Tollett


9:10—609. Hybridization properties and polymerase acceptance of nitropiperonyl deoxyriboside: Photochemical DNA back bone cleavage. M. C. Pirrung, X. Zhao, S. V. Harris 9:30—610. Deoxynucleic guanidine (DNG), a positively charged DNA analog: Effect of modulating the overall postive charge on DNG oligomers upon binding affinity and specificity with complimentary and mis matched DNA targets. T. C. Bruice, B. A. Linkletter 9:50—611. DNA cleavage by neocarzinostatin at bulged sites. I. Goldberg, F. Gu 10:10—612. Chemistry of thiol-mediated DNA cleavage by polysulfides. T. Chatterji, K. Mitra, K. S. Gates 10:30—613. Development of a fluorescent method for studying interactions between RNA and aminoglycoside antibiotics. B. Llano-Sotelo, C. S. Chow 10:50—614. Modular nucleic acid surro gates: α-Helical peptide nucleic acids. P. P. Garner, S. Dey, Y. Huang, X. Zhang 11:10—615. Synthesis of nucleosides and oligonucleotides containing adducts of ac rolein and vinyl chloride. L. V. Nechev, C. M. Harris, T. M. Harris 11:30—616. Ruthenium coordination com plexes as nucleoside mimics: Structural in vestigations. Y. Tor, C. W. Thomas

THURSDAY AFTERNOON Section A Convention Center Room R02-R03 Synthesis Targeted Toward Complex Molecules of Biological Interest

R. L. Halcomb, Organizer, Presiding 1:00—617. Progress toward the synthesis of biochemically active natural products: Zaragozic acid, phomactin, and pinnaic acid. R. L. Halcomb 1:20—618. Progress toward the total synthe sis of ingenol and highly functionalized bio logically active analogs of ingenol. J. D. Winkler, S. J. Harrison 1:40—619. Synthetic studies toward the novel shellfish toxin azaspiracid. C. J. Forsyth, J. Aiguade-Bosch, A. B. Dounay, J. Hao 2:00—620. Studies toward a total synthesis of callipeltoside A. T. R. Hoye, H. Zhao 2:20—621. Synthetic efforts toward the total synthesis of myriaporone 1. R. E. Taylor, J. P. Ciavarri, B. R. Hearn 2:40—622. Synthetic studies toward nodulisporic acid A. P. D. Magnus, T. E. Mansley 3:00—623. Studies toward the total synthesis of the marine natural product diazonamide A. P. D. Magnus, J. D. Kreisberg 3:20—624. General strategy for the synthe sis of Strychnos alkaloids. S. He, V. H. Rawal 3:40—625. Synthetic approaches to strictamine and geissoschizine using the Heck cyclization methodology. V. B. Birman, V. H. Rawal 4:00—626. Facile synthetic approach to imidazolidinone biocides. S. D. Worley, D. B. Elrod 4:20—627. Studies toward the total synthe sis of martinelline and martinellic acid. C. Lovely, H. Mahmud

Section Β Convention Center Room R04 New Reactions, Techniques, Methodology, and Environmentally Friendly Reactions and Techniques

R. L. Halcomb, Organizer F. S. Schultz, C-J. Li, Presiding 1:00—628. Efficient approach to phosphoryl ation and phosphorothioylation. W. J. Stec, J. Baraniak, K. Domanski, P. Guga, B. Karwowski, A. Sierzchala 1:20—629. Organic methyl carbonates as ef ficient and selective methylating agents: A new environmentally friendly route to anisoles, aryl propionic acids, and /V-methyl anilines. P. Tundo, M. Selva, A. Perosa 1:40—630. Heterogeneous acid-catalyzed esterification in a low dielectric constant medium under microwave and thermal conditions. K. G. Kabza, J. L. McGrath, J. E. Gestwicki, B. R. Chapados

2:00—631. Acetal formation via addition of alcohols to vinyl ethers under mild condi tions promoted by SGD alumina. F. S. Schultz 2:20—632. Stereoselective synthesis of 2-aryl-3-hydroxytetrahydrofurans from a-alkylP-(triethylsilyl)oxyaldehydes and aryldiazomethanes. S. R. Angle, M. L. Neitzel 2:40—633. Design, synthesis, and utilization of a new class of cleavable amphiphile for C-X bond formation in water. G. Noronha, Κ. Τ. Nguyen 3:00—634. Synthesis of diversely functionalized lactones and lactams via regioselective oxidations of alkylidene cyclohexenes. M. C. Mcintosh, S-P. Hong 3:20—635. Ceric ammonium nitrate-mediated reactions in nonaqueous media. M. H. AM, M. Niedbalski, J. Cipriano 3:40—636. Organic reactions in water: Re cent advances in metal-mediated carboncarbon bond formations. W-C. Zhang, Y. Meng, S. Venkatraman, X-G. Hua, C-J. Li Section C Convention Center Room R05 Borane-Mediated Reactions, Syntheses, and Techniques R. L. Halcomb, N. G. Bhat,

Organizer

Presiding

1:10—637. Hydroboration and diboration of unsaturated compounds leading to boronrich organoboranes, carboranes, and heteroboranes. W. Siebert, V. Beez, A. Bethâuser, M. Bluhm, T. Deforth, B. Gangnus, P. Greiwe, R. Hettrich, W. Lôsslein, A. Maderna, T. Sackner, H. Stock, H. Pritzkow 1:30—638. Radical carbon-carbon coupling reactions via organoboranes. P. I. Dalko, C. Cadot, J. Cossy 1:50—639. Alkylborane as selective reducing and hydroborating agents. J . S. Cha, J. M. Kim, O. O. Kwon 2:10—640. Experimental verification of the model for asymmetric amplification observed with diisopinocampheylchloroborane (lpc2BCI). C. W. Moeder, J. R. Sowa Jr., M. A. Whitener 2:30—641. First general synthesis of N-unsubstituted imine-borane adducts stable at room temperature. G-M. Chen, H. C. Brown 2:50—642. Dioxane-monochloroborane: A new, highly reactive hydroborating agent. J. V. B. Kanth, H. C. Brown 3:10—643. Novel synthesis of (2)-2-(1-trimethylsilyl-1 -alkenyl)-1,3,2-dioxaborinanes: Their applications to organic syntheses. N. G. Bhat, C. Martinez

Section D

SUNDAY AFTERNOON


Section A

Poster Session Heterocycle, Aromatics, New Reactions and Techniques, Environmentally Friendly Reactions, Asymmetric Reactions, Syntheses Targeted Toward Complex Molecules, Structure Elucidation, and NMR Spectroscopy R. L. Halcomb, S. Mallik,

Organizer

Presiding

1:00-4:20 644. Reactions of cage-annulated 2-methyl5-(trifluoromethanesulfonyloxy)furans with lithium diisopropylamide: Evidence for nucleophilic reactivity of LDA. A. P. Marchand, I. N. N. Namboothiri 645. Unexpected formation of a tetrazine ylide: Synthesis, molecular structure, and thermolysis of 3,6-diphenyl-1-propylsulfenamido-1,2,4,5-tetrazine. P. Kaszynski, V. G. Young Jr. 646. New synthesis of isoquinoline-3-carboxylates. J . Hiebl, H. Kollmann 647. Synthesis of 3-aryl and 3-heterocyclic quinoxalin-2-ylamines via palladium-catalyzed cross-coupling reactions. J . J . Li, W-S. Yue 648. Synthetic approaches to γ-carbolines. J. H. Wynne, W. M. Stalick 649. Synthesis, characterization, and deriva tives of perhydro-1,3,5-tris(alkylpolyalkoxyl)-S-triazines. T. J. Wolak, P. E. Ad ams 650. Synthetic effort toward 1,3,5-tri[2,6]pyridinacyclohexaphane. Z. Zhang, A. E. Martell, R. J. Motekaitis 651. Convenient one-pot synthesis of /V-aryl3-pyrrolines. C. S. Venkatachalam, K. Jayaprakash, K. K. Balasubramanian 652. Electrochemical cyclization of 2-iodo-/Valkylcinnamanilides in DMF. C. S. Venkat achalam, K. K. Balasubramanian, M. Raja, K. S. Dhathathreyan 653. Facile synthesis of oxygen heterocycles from 7-hydroxy-3-methyl/ethyl-2[(E)-2phenyl-1 -ethenyl]-4H-4-chromenones. H. K. Cherivirala, D. G. L. Krupadanam

PETR

Convention Center Room 211 General Papers

J. G. Reynolds, Organizer, Presiding 2:00—Introductory Remarks. 2:10—1. Producing superior asphalts via air blowing. R. R. Davison, N. Y. Vassiliev, S. A. Williamson, C. J. Glover 2:35—2. Chemical composition and perform ance-related properties of polymer-modi fied Arab asphalts. M. F. Ali, M. N. Siddiqui 3:00—3. Calibration of retention time for group-type analysis of heavy ends by su percritical fluid chromatography. F. C. Al buquerque, M. V. R. Cabrai 3:25—4. Estimation of viscosity of petroleum products. M. R. Riazi 3:50—5. Source identification of an unknown spilled oil from Quebec (1998) by hydro carbon distribution pattern recognition and diagnostic ratios of "source-specific mark er" compounds. Z. Wang, M. Fingas 4:15—6. CoMo dimetallic nitride for dibenzothiophene HDS. Y. Liu, C. Liu, G. Que 4:40—7. Process, membrane, gas perme ability. Y. Xie, H. U. Anderson

Section Β Convention Center Room 203 • Paraffin and Olefin Isomerization

K. Plumlee, A. W. Peters, Organizers K. Plumlee, Presiding 2:00—Introductory Remarks. 2:10—8. Review of recent advances in paraf fin and olefin isomerization. K. W. Plum lee, A. W. Peters 2:50—9. Effect of Pt concentration on the conversion of sulfated zirconia catalysts for the alkylation of 1-butane/1-butène. K. Saito, D. E. Sparks, R. A. Keogh, B. H. Davis 3:20—10. Isomerization of n-hexane over sulfated zirconia: Influence of hydrogen and platinum. J-C. Duchet, D. Guillaume, A. Monnier, J. van Gestel, G. Szabo, P. Nascimento, S. Decker 3:50—Intermission. 4:05—11. Kinetic study of the isomerization of 1-hexene over PtrAI 2 0 3 at supercritical conditions. V. Arunajatesan, M. C. Clark, B. Subramaniam 4:35—12. Kinetic studies of isobutane isomerization over solid-acid catalysts. R. D. Cortright, C. Miller, M. SanchezCastillo, R. J. Madon, J. A. Dumesic

DIVISION OF PETROLEUM CHEMISTRY

MONDAY MORNING

J. G. Reynolds, Program Chair


Section A

General Papers

J. G. Reynolds, Presiding OTHER SYMPOSIA OF INTEREST: R M M Characterization and Upgrading (see Division of Fuel Chemistry, Tue, Wed, page xx) Chemistry of Reactive Intermediates and Modeling In Hydrocarbon Conversion (see Division of Fuel Chemistry, Sun, page xx)

*

! •

•


A


•

PETROCHEMICALS

•


SOCIAL EVENT: Reception and Dinner, Tue BUSINESS MEETING: Tue

9:00—Introductory Remarks. 9:05—13. In situ CIR-FTIR study of coke deposition during catalytic cracking of Norpar 12 under supercritical conditions. Z. A. Dardas, L. J. Spadaccini, W. R. Moser 9:30—14. Thermal stability and autoxidation of jet fuels measured at 185 °C. E. G. Jones, L. M. Balster, W. J. Balster 9:55—15. Characterization and pyrolytic performance of hydrotreated derivatives from a light-cycle oil for jet fuel applications. J. M. Andrésen, J . J . Strohm, C. Song 10:20—16. Synthesis of a new class of benign fuel system icing inhibitor additives. G. W. Mushrush, E. J. Beal, D. R. Hardy, J. M. Hughes 10:45—17. Effect of pressure on supercritical pyrolysis of η-paraffins. E. G. Jones, W. J. Balster, L. M. Balster, R. C. Striebich

11:10—18. Synergistic effect of copper and manganese for methanol synthesis from synthesis gas. K. Omata, G. Ishiguro, M. Yamada 11:35—19. Sulfur tolerance of K-M0S2/AI2O3 alcohol synthesis catalyst and its surface fine structure. N. Koizumi, Y. Kobayashi, T. Ozaki, K. Murai, M. Yamada

Section Β Convention Center Room 212 • Paraffin and Olefin Isomerization

A. W. Peters, Presiding 9:00—Introductory Remarks. 9:10—20. Unconventional mechanisms for the isomerization and cracking of alkanes. D. Farcaslu 9:40—21. Evidence for very pronounced site selectivity in the protonation of n-alkanes. J. Ceulemans, A. Demeyer 10:10—Intermission. 10:25—22. Enhancing alkylation production activity of solid-acid alkylation catalyst with supercritical-C02 based reaction media. C. L. Lyon, B. Subramanian, C. J. Periera 10:55—23. Catalyst deactivation and regen eration studies as a probe to improve the catalytic properties of supported solid acid catalysts. B. Li, R. L. Marcus, R. D. Gonzalez 11:25—24. Effect of water on supported Keggin-type heteropolyacid catalysts for low-temperature paraffin and olefin isomerizations. B. B. Bardin, R. J. Davis. MONDAY AFTERNOON Section A Convention Center Room 211 • Worldwide Perspectives on the Manufacture, Characterization, and Application of Lubricant Base Oils Refining Technology and New Products/ Processes A. J . Stipanovic, C. Mansfield, Organizers C. Mansfield,

Presiding

1:30—Introductory Remarks. A. J. Stipanovic 1:45—25. Commercialization of an all-cat alytic lube technology and next-generation MSDW improvements. R. G. Wuest, R. J. Anthes, R. T. Hanlon, S. M. Jacob, L. Loke, C. T. Tan 2:15—26. Hydroisomerization of slack wax over Pt/amorphous Si0 2 -Al 2 0 3 catalyst to produce very high viscosity index lubricat ing base oils. V. Calemma, R. Giardino, S. Peratello, C. Perego, A. Moggi 2:45—27. Nonhydroprocessing route to up grade conventional oils into new-generation base oils. P. Sahai, G. S. Chaudhary, M. Anwar, I. D. Singh, H. Singh, M. O. Garg 3:15—Intermission. 3:30—28. New polyalphaolefin base oils. W. J. Heilman, l-C. Chiu, J. C. W. Chien 4:00—29. Use of the PIMS LP model to eval uate modifications to a conventional lube plant for improved profitability and higher quality products. V. E. Arnold, K. Chum 4:30—30. Advanced performance products from VHVI specialty base fluids. H. E. Henderson Section Β Convention Center Room 212 • 5th International Symposium on Advances of FCC Cosponsored with Division of Fuel Chemistry M. L. Occelli, P. O'Connor, T. Takatsuka, H. Lovink, Organizers M. L. Occelli, P. O'Connor,

Presiding

1:30—Introductory Remarks. 2:00—31. Historical development of FCC technology. A. E. Schweizer 2:30—32. Catalyst assembly technology in FCC. P. O. Connor, P. Imhof, S. J. Yanik


JULY 26, 1999 C&EN 1 2 1

PETR/PHYS/TECHNICAL PROGRAM

3:00—33. Gasoline sulfur removal, kinetics of S compounds in FCC conditions. A. Corma, M. S. Grande, P. Gullbrand, C. Martinez 3:30—34. Hydrothermal deactivation kinetics of FCC catalysts containing USY zeolite. E. Kugler, T. Gardner, J. H. Panpranot 3:50—35. Catalyst design for resid-cracking operation: Benefits of metal-tolerant tech nologies. L. T. Boock, T. F. Petti 4:20—36. Active-site accessibility of residcracking catalysts. M. He, Y. Lu, J. Song M O N D A Y EVENING Convention Center Exhibit Hall A Sci-Mix J. G. Reynolds, Organizer,

Presiding

8:00-10:30 37. Unsaturated nitrites: Elimination of β-hydroxy nitriles. F. F. Fleming, B. Shook, B. Ashead 38. Reappraisal of deep natural-gas potential in U.S. basins. T. J. Weismann TUESDAY MORNING Section A Convention Center Room 211 • Worldwide Perspectives on the Manufacture, Characterization, and Application of Lubricant Base Oils Characterization and Product Performance Modeling S. Gunsel, Presiding 9:00—39. Search for the optimal hydrocar bon structure for next-generation mineralbase oils. J. Igarashi, Y. Matsuyama, K. Yagishita, T. Yoshida, H. Watanabe 9:45—40. NMR studies of lube distillates for making quality base oils. S. K. Sahoo, B. K. Sharma, I. D. Singh 10:15—41. Pattern recognition in base oil classification. R. Giardino, S. Giacobbe, A. Roselli 10:45—Intermission. 11:00—42. Compositional features of new high-performance specialty base fluids. H. E. Henderson, T. C. Ruo, P. Michaluk, A. Legzdins, M. Fefer 11:30—43. Usefulness of NMR-derived structural models for the study of additive response in mineral-base oils. A. Adhvaryu, J. M. Perez, I. D. Singh Section Β Convention Center Room 212 • 5th International Symposium on Advances of FCC Cosponsored with Division of Fuel Chemistry T. Takatsuka, H. Lovink, Presiding 8:45—Introductory Remarks. 8:50—44. Effects of iron and copper contam ination on the FCC unit performance. C. M. Fraga 9:20—45. Optimum properties of RFCC cat alysts. S-l. Andersson, T. Myrstad 9:50—Intermission. 10:05—46. Effect of catalyst properties and feedstock composition on the evaluation of cracking catalysts. I. A. Vasalos, A. A. Lappas, A. Humphries 10:35—47. Catalyst evaluation for atmo spheric residue cracking, the effect of cat alyst deactivation on selectivity. W. R. Gil bert 11:05—48. Deactivation of FCC catalyst: A modeling approach. F. Lopez-lsunza 11:35—49. Study on the deactivation pattern of FCC catalysts in industrial units. F. Hernandez-Beltran, R. Garcia-de-Leon, E. Mogica, J. C. Moreno, R. Gonzalez, E. Lopez-Salinas

1 2 2 JULY 26, 1999 C&EN

TUESDAY AFTERNOON Section A

11:10—66. Effect of oxygen-containing sub stitueras of phenolic antioxidants. T. Kajiyama, Y. Ohkatsu


Section Β

• Worldwide Perspectives on the Manufacture, Characterization, and Application of Lubricant Base Oils Base Oil and Lubricant Chemistry A. J . Stipanovic, Presiding 1:30—Division Business Meeting. A. W. Aldag 1:45—50. Direct method for the analysis of trace metals in new and used lubricating oils. D. L. Langer, J. A. Holcombe 2:15—51. Understanding ligand exchange in a molybdenum dialkyldithiocarbamate/zinc dialkyldithiophosphate additive system dur ing inhibited oxidation in various base oils. R. K. Jensen, S. Korcek, M. D. Johnson 2:45—52. Fundamental oxidation studies of polyalphaolefins and VHVI specialty base fluids. H. E. Henderson, M. Fefer, A. E. Legzdins 3:15—Intermission. 3:45—53. Examining the low-temperature fluidity of lubricant base oils using 600MHz CP/MAS NMR spectroscopy. A. J. Stipanovic, D. J. Kiemle 4:15—Discussion. Base oils in the 21st century. A. J. Stipanovic, C. T. Mansfield, S. Gunsel Section Β Convention Center Room 212 • 5th International Symposium on Advances of FCC Cosponsored with Division of Fuel Chemistry T. Takatsuka, M. L. Occelli, Presiding 1:30—Introductory Remarks. 1:35—54. Advances of the multiinlet cy clones in FCC. S. Ruottu, J. Jakkula, I. Eilos, M. Nurminen 2:05—55. Novel approach on FCC closed cyclones. J. Ramos 2:35—56. Pilot results from the new short contact time catalytic cracking technology (NExCCTM). J. Jakkula, J. Hiltunen, V. Niemi, K. Lipiainen 3:05—57. Down-flow FCC pilot plant for light olefin production. S. Ikeda, T. Ino 3:35—58. Effect of oxygen enrichment of FCC flue gas emissions. K. Limbach, S. Tamhankar, S. Ganguly, R. Ramachandran, L. Henton, H. Moore 4:05—59. FCC revamp for improved opera tions. J. W. Wilson, C. Ross 4:35—60. Large-scale cold flow model of FCC-troubleshooting tool for commercial units. H. Singh, N. K. Mittal, P. K. Sen, S. J. Chopra WEDNESDAY MORNING Section A Convention Center Room 211 • Recent Advances in the Chemistry of Lubricant Additives Antioxidants and Antiwear Agents J. D. Burrington, Organizer R. G. Roland, S. L. Bartley, Presiding 8:25—Introductory Remarks. J. D. Burrington 8:30—61. Design of new wear inhibitors based on self-assembled monolayer mod el and effects of wear inhibitors on con fined nanoscale rheology. W. A. Goddard III, Y. Zhou, T. Cagin, E. S. Yamaguchi, A. Ho, Y. Tang 9:10—62. Quantum mechanics and the auto mobile: Tailoring the reactivity of sulfur for lubricant applications. A. M. Chaka, M. Scheffler 9:40—63. Interactions of ashless antioxi dants with ashless antiwear agents in lu bricants. R. G. Rowland, C. A. Migdal 10:10—64. Dilution method for estimating concentration of primary antioxidants in lu bricants. E. G. Jones, L. M. Balster 10:40—65. Phenolic antioxidants: Effect of o-substituents having nonconjugated dou ble bond. T. Matsuura, Y. Ohkatsu

Convention Center Room 212 • 5th International Symposium on Advances of FCC Cosponsored with Division of Fuel Chemistry P. O'Connor, H. Lovink, Presiding 8:30—Introductory Remarks. 8:35—67. La-stabilized gallioaluminosilicates with the faujasite structure for FCC prepa ration. M. L. Occelli, S. E. Schweizer, A. Auroux, H. Eckert 9:05—68. Yield and composition of FCC stripper coke from mat and fluidized-bed reactors. C. E. Snaps, Y. R. Tyagi, M. C. Diaz, S. C. Martin, C. L. Wallace, P. J. Hall, C. L. Koon, R. Hughes 9:35—69. Development of a lumped kinetic model for FCC valid from zero seconds contact time. M. A. den Hollander, M. Makkee, J. A. Moulijn 10:05—Intermission. 10:20—70. Effects of synthesis conditions on the structure of clays expanded with Keggin ions. M. L. Occelli, A. Bertrand, S. Thomas, A. Auroux, J. Ray, S. A. Gould 10:50—71. Studies on producing maximum diesel-pool production from FCC. R. Zhang, Y. Wang, H. Cui, Y. Huang 11:20—72. Improvement of catalytic cracking process through the utilization of new cat alytic materials. M. I. Levinbuk, V. B. Melnikov, S. Numan, M. L. Pavlov, V. A. Patrikeev Hydrogen Production, Storage, and Utilization cosponsored with Division of Fuel Chemistry (see page 93) WEDNESDAY AFTERNOON Section A Convention Center Room 211 • Recent Advances in the Chemistry of Lubricant Additives Friction Modification and Fuel Economy R. K. Jensen, M. T. Devlin, Presiding 2:00—73. Effect of "mild" oxidation on thinfilm properties of base oil/polymer mix tures. M. T. Devlin, M. A. Grina, T-C. Jao 2:30—74. Effect of ligand exchange reac tions on the activity of organomolybdenum friction modifiers in energy-conserving en gine oils. A. J. Stipanovic, T. M. Shea 3:00—75. Effects of oxidation on the frictional behavior of molybdenum dialkyldithiocarbamate. R. K. Jensen, S. Korcek 3:30—76. Molybdenum dithiocarbamates for enhanced friction control and fuel econo my. A. J. Brown, I. A. W. Bell, J. M. McConnachie, E. I. Stiefel 4:00—77. Important advances in engine me chanical friction reduction and diesel par ticulate emissions control technologies. V. D. N. Rao

2:05—79. Effect of hydrogen transfer charac teristics of the base-cracking catalysts and feedstocks on ZSM-5 additives in fluid cat alytic cracking. X. Zhao, R. H. Harding 2:35—80. Reduction of FCC gasoline olefinicity at Kashima Oil. R. C. Skocpol, S. Katoh, M. Nakamura 3:05—Intermission. 3:20—81. Use of 13C-labeled compounds to probe catalytic coke formation in FCC. C. L. Wallace, C. E. Snape, N. J. Gudde, G. W. Ketley 3:50—82. Effect of pore size on cracking of vacuum gas oil and residue. A. Corma, M. S. Grande, M. L. Pena, F. Rey 4:20—83. On the mechanism of formation of organized mesoporous silica that may be used as catalysts for FCC. R. Zana, J. Frasch, M. Soulard, B. Lebeau, J. Patarin Hydrogen Production, Storage, and Utilization cosponsored with Division of Fuel Chemistry (see page 93) THURSDAY MORNING Convention Center Room 211 • Recent Advances in the Chemistry of Lubricant Additives Dispersant and Detergent Chemistry J. R. Galsworthy, J. K. Pudelski, Presiding 8:30—84. Preparation, NMR characteriza tion, and lubricant additive applications of novel polyisobutenyl phthalic anhydrides. J. K. Pudelski, K. F. Wollenberg 9:00—85. "Domino" Diels-Alder/ene reac tions for multifunctionalization of allylic aromatics. S. L. Bartley, J. D. Burrington 9:30—86. Unexpected scaling of rheology of carbon black suspensions. V. Trappe, D. A. Weitz, J. Emert, N. Diggs, R. Bloch 10:00—87. Acid neutralization studies of overbased detergents: Mechanism and impact of detergent structure. J . R. Galsworthy, R. W. Glyde, N. Z. Diggs, K. R. Gorda, D. C. Hone, Β. Η. Robinson 10:30—88. Overbased products using nonionic substrates: Chemistry and proper ties. Ν. Ζ. Huang 11:00—89. Late-metal catalysts for oligomerization of olefins. R. H. Grubbs, T. Younkin, E. Connor, D. Bansleben, J. Henderson Hydrogen Production, Storage, and Utilization cosponsored with Division of Fuel Chemistry (see page 93) THURSDAY AFTERNOON Hydrogen Production, Storage, and Utilization cosponsored with Division of Fuel Chemistry (see page 93)

PHYS

Section Β Convention Center Room 212 • 5th International Symposium on Advances of FCC Cosponsored with Division of Fuel Chemistry

DIVISION OF PHYSICAL CHEMISTRY G. C. Senate, Program Chair

M. L. Occelli, P. O'Connor, Presiding

SUNDAY MORNING

1:30—Introductory Remarks. 1:35—78. Effect of vanadium on light olefins selectivity. C. Li, S. Yan, Z. Qiu, L. Tang, M. Gu


Section A

• Water and Water Clusters M. Johnson, R. J . Saykally, Organizers M. Okumura, Presiding


8:20—1. Water anomalies analyzed from the "rugged potential landscape" viewpoint. F. H. Stillinger 2. Withdrawn. 9:05—302. Quantum dynamics of the excess proton in water. G. A. Voth

9:45—3. Perturbation of water networks by anions and an excess electron. P. Ayotte, J. Kim, G. Weddle, M. Johnson, J. A. Kelley 10:05—4. Determining hydration forces in model proteinlike systems. T. HeadGordon 10:25—Intermission. 10:45—5. Unsolved mysteries of water in its liquid and glassy phases. H. E. Stanley, O. Mishima, M. R. Sadr-Lahijany, A. Sea ls, F. W. Starr 11:25—6. Water dimer vibration-rotation spectrum: Influence of the internal mo tions. C. J. Leforestier


12:00—18. Mesoscopic cooperative emission from a disordered system. T. Shahbazyan, M. E. Raikh, Z. V. Vardeny Nonlinear Optical and Electronic Materials cosponsored with Division of Computers in Chemistry (see page 85) • Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion cosponsored with Division of Fuel Chemistry (see page 92) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 109)

SUNDAY AFTERNOON

Chemical Waves, Fronts, and Patterns Chemical Waves in Excitable Media

J. Pojman, Organizer, Presiding 8:10—Introductory Remarks. 8:20—7. Noise-driven avalanche behavior in subexcitable media. K. Showalter 9:00—8. Waving in the distance. M. Eiswirth, J. Christoph, P. Strasser 9:40—9. Wave propagation in media with nonuniform and disordered excitability. F. Sagues, D. Vives, J. M. Sancho, J. Casademunt, L. Ramirez-Piscina, I. SendinaNadal, V. Pérez-Munuzuri, M. GomezGesteira 10:20—Intermission. 10:40—10. Calcium wave pattern formation and stability in Xenopus oocytes. M. Falcke, J. L. Hudson, P. Camacho, J. D. Lechlelter 11:20—11. Universal dispersion relation of chemical waves in excitable media. V. Gaspar, R. Toth, A. Belmonte, J-M. Flesselles 11:40—12. Study of the waves in the Belousov-Zhabotinsky reaction using UVVis spectroscopy. E. Steimle, L. H. Garcia-Rubio, J. L. F. Porteiro

Section C Convention Center Room 228 Chromophore Aggregates

S. Mukamel, G. R. Fleming, D. S. Chemla, Organizers S. Weiss, Presiding 8:20—13. Structural features and antenna effect of inclusion complexes with fluorescent dyes in multichromophoric cyclodextrins. L. Jullien, M. N. Berberan-Santos, P. Choppinet, A. Fedorov, B. Valeur 9:00—14. Molecular design and functions of light-harvesting dendrimers. T. Aida, D-L. Jiang, T. Sato, T. Takayama 9:40—15. Phenylacetylene dendrimers: Supramolecules or molecular aggregates? S. Mukamel, V. Chernyak, S. Tretiak, E. Poliakov 10:20—Intermission. 10:40—16. Geometric vs. energetic competition in light harvesting by dendrimers. J. Klafter, A. Bar-Haim 11:20—17. Dendrimer photoantenna supermolecules: Energetic funnels, exciton hopping, and unusual excimer formation. R. Kopelman, S. Swallen, J. S. Moore, Z. Zhu


T. Head-Gordon, Presiding 1:20—19. Transition pathways of protons in water. D. Chandler, C. Dellago, P. L. Geissler 2:00—20. Pair and three-body interactions in water probed by cluster spectra: Theory that provides the key. G. C. Groenenboom, M. Geleijns, P. E. S. Wormer, A. van der Avoird 2:40—21. Water clusters: Elucidating mechanisms of heterogeneous atmospheric chemistry. J. J. Gilligan, B. L. Leskiw, R. S. MacTaylor, A. W. Castleman Jr. 3:00—22. Reaction mechanisms at the surfaces of ice and water relevant for stratospheric ozone depletion. J. T. Hynes, R. Bianco 3:20—Intermission. 3:40—23. Molecular clusters as probes of water's hydrogen bonding to nature's building blocks. T. S. Zwier, J. R. Carney, G. M. Florio, C. J. Gruenloh, B. Quimpo 4:20—24. pH of water. A. D. J. Haymet

Section Β Convention Center Room 216 Chemical Waves, Fronts, and Patterns Convection and Chemical Waves

I. R. Epstein, Organizer, Presiding 1:20—25. Cooperative phenomena from corrective instabilities. R. H. Simoyi 2:00—26. Computational modeling of convective chemical waves. D. A. Vasquez 2:40—27. Influence of surface-tensioninduced convection on a propagating front. H. M. Wilke 3:20—Intermission. 3:40—28. Viscous fingering in reaction-dif fusion systems. A. De Wit, G. M. Homsy 4:00—29. Numerical evidence of stationary and breathing concentration patterns in the Oregonator with equal diffusivities. J. D. Dockery, R. J. Field 4:20—30. Oscillatory chemical kinetics with stochastic feedback. D. A. Browne, Κ. Ε. Bassler 4:40—31. Frontal polymerization in microgravity. J. A. Pojman, V. I. Volpert, H. M. Wilke, Y. Chekanov, J. Masere, W. Ainsworth, V. Nguyen, J. Warren

Section C

• •


Chromophore Aggregates

CATALYSIS

1:20—32. Optically excited states in welldefined pigment-protein complexes: Ex periment and theory of intermolecular in teractions. T. J. Aartsma 2:00—33. Excitation energy transfer and trap ping in photosystem 1. R. van Grondelle, B. Gobets, J. Ihaininen, J. P. Dekker 2:40—34. Photosynthetic reaction center mimics: Special pair formation in synthetic polypeptide aggregates. G. Jones II, V. I. Vullev 3:00—35. Two-color pump-probe spectros copy and the exciton delocalization length in molecular assemblies. L. D. Bakalis, J. Knoester


A


; *·


• Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion cosponsored with Division of Fuel Chemistry (see page 92) Nonlinear Optical and Electronic Materials cosponsored with Division of Computers in Chemistry (see page 85)

• Water and Water Clusters


*

3:20—Intermission. 3:40—36. Electronic excitation transport and trapping in wild-type and mutant photosys tem 1 from Synechocystis sp. PCC 6803. W. S. Struve, S. Savikhin, P. R. Chitnis, W. Xu 4:20—37. 2-D Fourier-transform electronic spectroscopy of aggregates. D. M. Jonas, J. D. Hybl, S. M. Gallagher Faeder, A. W. Albrecht 4:40—38. Disentangling energy transfer dy namics in photosynthetic light-harvesting antennae. G. D. Scholes, G. R. Fleming 5:00—39. Studies of organized porphyrin ar rays on biochemical templates. R. F. Pasternack, E. J. Gibbs, P. J. Collings, J. C. DePaula

M. A. Ratner, Presiding


MONDAY MORNING


R. Kopelman, Presiding 8:20—51. Molecular and supramolecular engineering of push-pull chromophores for nonlinear optics: Design and applications. M. H. Blanchard-Desce, V. Alain, M. Barzoukas, R. Wortmann, S. Lebus, K. Lukaszuc, P. Gunter, C. Bosshard, U. Gubler 9:00—52. Photoexcitation dynamics and laser action in polydialkylfluorene films: Influence of low-temperature aggregates formation. Z. V. Vardeny 9:40—53. Modeling chromophore-chromophore interactions using paracyclophane derivatives. G. C. Bazan, W. J. Oldham Jr., S. Wang, T. Sergei, S. Mukamel 10:20—Intermission. 10:40—54. Coherent and incoherent charge transfer: Bridges and bus stops. M. A. Ratner 11:20—55. Intrachain and interchain excitations in light-emitting polymers: A photoluminescence study. G. Rumbles, I. D. W. Samuel, A. B. Holmes, S. C. Moratti, P. F. Miller, C. J. Collison 12:00—56. Aggregates of conjugated polymers and oligomers: A theoretical investigation. F. C. Spano, M. S. Siddiqui

Section D



Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media

A. W. Castleman Jr., Presiding

D. G. Truhlar, L. J. Butler, Organizers D. G. Truhlar, Presiding 8:40—40. Electronically nonadiabatic transi tions in molecular photodissociation pro cesses. G. G. Balint-Kurti 9:20—41. Effects of nonadiabatic coupling in the H + D2 -> HD + D reaction at highcollision energies. B. K. Kendrick 10:00—42. Competition between adiabatic and nonadiabatic dynamics in the photofragmentation of ammonia. J. P. Reid, R. A. Loomis, S. R. Leone 10:20—Intermission. 10:40—43. Nonadiabatic effects in the pho todissociation of polyatomic molecules. R. Schinke 11:20—44. Nonadiabatic effects in photodis sociation and elementary chemical reac tions. H-J. Werner, D. Simah, B. Hartke

Section Β Convention Center Room 216 Chemical Waves, Fronts, and Patterns Pattern Formation

V. Volpert, Organizer, Presiding 8:20—45. Patterns and fronts: How can they form in one-sided fed reactors? J. Boissonade, P. Blanchedeau, P. De Kepper 9:00—46. Control of oscillations and Turing structures in the chlorine dioxide-iodinemalonic acid reaction by illumination. A. M. Zhabotinsky, A. P. Munuzuri, A. K. Horvath, M. Dolnik, I. R. Epstein 9:40—47. Cellular acidity fronts. A. Toth, D. Horvâth 10:20—Intermission. 10:40—48. Resonant pattern formation in an oscillatory chemical reaction-diffusion system. A. L. Lin, K. Martinez, M. Bertram, H. L. Swinney, A. Ardelea, G. F. Carey 11:20—49. Fixation of dissipative structures as microscopic polymer patterns. O. Karthaus, T. Koito, N. Maruyama, M. Shimomura 11:40—50. Complex pattern formation in the polyacrylamide-methylene blue-oxygen reaction. O. Steinbock


• Water and Water Clusters 8:20—57. Water in the gaseous and in condensed phases. M. Parrinello 9:00—58. Approaching water through clusters. J . V. Coe, M. H. Cohen, M. D. Tissandier, S. J. Singer, T. R. Tuttle Jr., Κ. Η. Bowen 9:40—59. Quantifying the water force field: Terahertz and IR cavity ringdown spec troscopy results for water clusters. R. J. Saykally 10:00—60. Terahertz time-domain spectros copy of condensed-phase water clusters. J. Boyd, D. Mittleman, V. Colvin 10:20—Intermission. 10:40—61. Structure of water near ions and molecules: Recent developments. A. K. Soper 11:20—62. Critical issues in the understand ing and modeling of collective effects in water. S. S. Xantheas • Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion cosponsored with Division of Fuel Chemistry (see page 92) Nonlinear Optical and Electronic Materials cosponsored with Division of Computers in Chemistry (see page 86) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (seepage 111)

MONDAY AFTERNOON Section A Convention Center Room 232 Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media

L. J. Butler, Presiding 1:20—63. Semiclassical studies of electroni cally nonadiabatic photodissociation and recombination dynamics of l 3 " in water clusters. D. F. Coker, C. J. Margulis 2:00—64. Comparison of semiclassical trajec tory methods with quantum mechanics for a variety of electronically nonadiabatic sys tems. M. D. Hack, A. W. Jasper, Y. L. Volobuev, M. S. Topaler, D. W. Schwenke, D. G. Truhlar 2:40—65. Semiclassical surface-hopping methods for quantum transitions in con densed-phase systems. M. F. Herman 3:20—Intermission.

JULY 26, 1999 C&EN 1 2 3

PHYS/TECHNICAL PROGRAM

3:40—66. Combining quantum chemistry and dynamics: Applications to organic photochemistry. M. A. Robb, M. J. Bearpark, F. Bernardi, M. Garavelli, P. A. Hunt, F. Jolibois, M. Olivucci, A. SanchezGalvez 4:20—67. Classical description of nonadiabatic photoreactions. G. Stock

Section Β Convention Center Room 216 Chemical Waves, Fronts, and Patterns Thermal Fronts and Flames

• Chemistry of Reactive Intermediates | and Modeling in Hydrocarbon Conversion Convention Center cosponsored with Division of Fuel Chemistry Room 228 (see page 92) Nonlinear Optical and Electronic Materials cosponsored with Division of Computers in Chemistry (see page 86) First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page

MONDAY EVENING

O. Steinbock, Presiding

Section A

1:20—68. Diffusive and hydrodynamic insta bilities in flames. P. D. Ronney 2:00—69. Hopping motion in a chemically re acting system. M. Gorman, A. Palacios 2:40—70. Interaction of counterpropagating hot spots in solid fuel combustion. A. Bayliss, B. J. Matkowsky 3:20—Intermission. 3:40—71. Spin head-doubling behavior in frontal polymerization of multifunctional acrylates. J. Masere, F. D. Stewart, T. Meehan, J. A. Pojman 4:00—72. Control of chemical waves by an external electric field. H. Sevcikova 4:20—73. Thermal microstructure and effi cient kinetics of high-temperature reaction waves in heterogeneous media. A. S. Rogachev, V. V. Aleksandrov, H. E. Grigoryan 4:40—74. Peculiarities of frontal regimes: Ki netics of metal-containing monomers in the (co)polymerization in the solid phase. S. I. Evstratova, B. M. Zuev, G. I. Dzhardimalieva, I. E. Uflyand, A. D. Pomogailo


G. C. Bazan, Presiding 1:20—75. Semiconductor nanocrystals as fluorescent biological labels. A. P. Allvisatos, S. Weiss 2:00—76. Single-molecule spectroscopy of conjugated polymers. P. F. Barbara, D. Hu, J. Yu 2:40—77. π-Conjugation attenuated photo conducting polymers as an ensemble of chromophores. L. X. Chen, W. J. H. Jâger, D. J. Gosztola, M. P. Niemczyk, M. R. Wasielewski 3:00—78. Dynamical effective medium model of metal nanosphere aggregates. A. A. Lazarldes, G. C. Schatz 3:20—Intermission. 3:40—79. Single-molecule SERS in compact aggregates of Ag particles. L. Brus 4:20—80. Observing single-biomolecule reactions. S. Weiss, M. Dahan, T. Lacoste, J. Glass, T. Laurence, D. S. Chemla, A. Deniz, A. Ting, J. Grunwell, A. E. Faulhaber, P. G. Schultz 81. Withdrawn. Section D Convention Center Room 235 • Water and Water Clusters J . M. Lisy,

Presiding

1:20—82. Geometrical cooperativity and phase transitions in low-temperature water: An approach to the ideal glass. C. A. Angell, C. T. Moynihan 2:00—83. Kinetics of trace gas mass accommodation and reaction on atmospheric water and water/acid surfaces. C. E. Kolb, D. R. Worsnop, J. T. Jayne, Q. Shi, J. Cheung, J. Boniface, M. Gersherzon, P. Davidovits 2:40—84. Photodetachment in liquid water. S. E. Bradforth, V. A. Lenchenkov, J. A. Kloepfer, V. H. Vilchiz 3:00—85. Dynamics and structural details of amorphous ice by incoherent inelastic neutron scattering. D. D. Klug, C. A. Tulk, E. C. Svensson, C. K. Loong 3:20—Intermission. 3:40—86. Model for supercooled liquid and the transition to another apparently amorphous condensed phase. D. Kivelson 4:20—87. Liquid water dynamics: Fluctuation, chemical reactions, and freezing. I. Ohmine

1 2 4 JULY 26, 1999 C&EN

Convention Center Exhibit Hall A Sci-Mix

G. C. Schatz, Presiding 8:00-10:30 21. See previous listing. 88. NLO properties of inorganic complexes. T. Zhou, T. Cundari, H. Kurtz 210, 213, 218, 221, 230, 243, 262, 265, 298, 304, 323, 335, 341, 347, 351, 357, 379. See subsequent listings.

Section C

Imaging in Chemical Dynamics

A. Suits, R. E. Continetti, Organizers J. I. Cline, Presiding 8:40—98. Recoil energy disposal in the vi brational predissociation of some van der Waals dimers. L. M. Yoder, J. R. Barker, K. T. Lorenz, D. W. Chandler 9:20—99. Direct mapping of the reaction dy namics: CI(2P3/2) and Cf( 2 P 1/2 ) + H 2 . K. Liu, S-H. Lee 10:00—100. Ion imaging studies of correla tions between recoil anisotropy and photofragment rotation. H. Reisler, V. Dribinski, A. Demyanenko, H. Meyer, C. Qian 10:20—Intermission. 10:40—101. Velocity map imaging of pen ning ionization processes. D. H. Parker 11:20—102. Crossed-beam studies of CO rotational energy transfer. G. C. McBane, S. Antonova, A. Lin, A. P. Tsakotellis, Κ. Τ. Lorenz, D. W. Chandler

Section D Convention Center Room 235 Chromophore Aggregates

TUESDAY MORNING

A. P. Alivisatos, J. Klafter, Presiding Section A

Convention Center Room 232 Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media W . M. Jackson,

Presiding

8:40—89. Electronic structure methods for nonadiabatic processes. M. P. HeadGordon 9:20—90. Nonadiabatic reaction dynamics in F + n-H2 from IR laser-based state-tostate reactive scattering studies. D. J. Nesbitt 10:00—91. Nonadiabatic product branching and emission spectra of dissociative molecules with N 0 2 and NR2 functional groups. L. J. Butler, B. F. Parsons, S. L. Curry, J. A. Mueller, P. C. Ray, N. R. Forde, M. L. Morton 10:20—Intermission. 10:40—92. Nonadiabatic dissociation dynamics of CH2BrCI. S. W. North, W. S. McGivern, R. Li, P. Zou 11:20—93. Prereactive evolution of substituted ethylenes excited in the 6-eV region. B. Soep, M. Elhanine, J. M. Mestdagh, J. P. Visticot Section Β Convention Center Room 216 Chemical Waves, Fronts, and Patterns Industrial Applications of Frontal Processes R. J . Field,

Presiding

9:00—94. Traveling surface reaction zone in the metal-ion-catalyzed acid dissolution of aluminum. C. L. Cobb, A. Scheeline, J. Josephs, N. Sethi, F. Onyemauwa, A. Coursey, R. Fuller, M. McCutcheon 9:40—95. In and on mesoporous glass: Traveling BZ waves as probes of gel structures. T. Yamaguchi, T. Amemiya, T. Ohmori, Y. Morikawa, H. Nagasawa, V. A. Davydov 10:20—Intermission. 10:40—96. Morphology and phase-sepa ration kinetics of binary polymer mixtures under thermodynamically nonuniform con ditions. Q. Tran-Cong, K. Endoh, K. Kataoka, H. Nishioka 11:20—97. Temperature patterns on hollow cylindrical catalytic pellets. D. Luss, J. Annamalai

8:20—103. Dynamics of the gain and in duced absorption in fluorescent oligomers. J-Y. Bigot 9:00—104. Nonlinear 2-D IR spectroscopy of protein amide I vibrations. P. K. Hamm, M. Lim, R. M. Hochstrasser 9:40—105. Dynamics of hydrogen-bonded complexes in electronically excited states studied with ultrafast vibrational and opti cal spectroscopies. E. T. J. Nibbering, C. Chudoba, F. Tschirschwitz, T. Elsaesser 10:20—Intermission. 10:40—106. Femtosecond transient absorp tion dynamics of colloidal gold nanoparticles: Size and shape independence of the electron-phonon relaxation time. S. Link, C. Burda, M. B. Mohamed, B. Nikoobakht, Ζ. L. Wang, M. A. El-Sayed 11:00—107. 3-D orientations of polymerbound single molecules. R. M. Dickson 11:20—108. Time-resolved optical observa tion of magnon renormalization in antiferromagnetic Cr 2 0 3 . J. S. Dodge, A. B. Schumacher, J-Y. Bigot, D. S. Chemla, N. Ingle, M. R. Beasley 12:00—109. Photophysics of blue-emitting conjugated polymers. C. Silva, Μ. Α. Stevens, D. M. Russell, R. H. Friend • Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion cosponsored with Division of Fuel Chemistry (see page 92) Nonlinear Optical and Electronic Materials cosponsored with Division of Computers in Chemistry (see page 86) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 111) TUESDAY AFTERNOON Section A Convention Center Room 232 Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media R. I. Cukier,

Presiding

1:20—110. Electronic nonadiabaticity in the reaction of F with H2. M. H. Alexander 2:00—111. Wave packet study on photodis sociation reactions. M. Aoyagi, S. Nanbu


2:40—112. Delayed ionization and selective fragmentation in energy-rich systems. R. D. Levine 3:20—Intermission. 3:40—113. Electronically nonadiabatic dy namics via the semiclassical initial value representation. W. H. Miller 4:20—114. Nonadiabatic transitions: Basic theory and its applications. H. Nakamura

Section Β Convention Center Room 216 Chemical Waves, Fronts, and Patterns Industrial Applications

C. L. Cobb, Presiding 1:20—115. Technology of gradient index plastic optical fibers. V. Ilyashenko 2:00—116. Modeling of isothermal frontal polymerization. V. A. Volpert 2:40—117. Preparation of gradient materials via frontal polymerization. J. A. Pojman, Y. A. Chekanov 3:00—118. Spatio-temporal pattern forma tion in Pt(100) during CO oxidation at ele vated pressures. J. Lauterbach 3:20—Intermission. 3:40—119. Percolative diffusion in mixed adlayers and its influence on chemical wave propagation in surface reactions. D-J. Liu, P. A. Thiel, J. W. Evans 4:00—120. Generation and propagation of chiral asymmetry. D. Kondepudi 4:20—121. Cellular trains in oscillatory me dia. D. Battogtokh, D. A. Browne

Section C Convention Center Room 228 Imaging in Chemical Dynamics Photochemistry/Radicals A. G. Suits, Organizer,

Presiding

1:40—122. Study of rotational energy trans fer in atom-diatom systems using velocity mapped imaging. K. T. Lorenz, D. W. Chandler, G. C. McBane, M. S. Westley, P. L. Houston 2:20—123. Development of a zero kinetic energy photodissociation spectrometer. O. L. A. Monti, H. Dickinson, S. R. Macken zie, T. P. Softley 2:40—124. Imaging radical dissociation dy namics. M. Ahmed, D. S. Peterka, A. G. Suits 3:20—Intermission. 3:40—125. Photodissociation dynamics of HN 3 studied by ion imaging. J . Xie, D. Dai, J. Zhang, C. Zhang 4:00—126. Using velocity map imaging and VUV pump and probe lasers to study the photochemistry of free radicals. W. M. Jackson, D. Xu, R. Price, K. McNesby, I. A. McLaren

Section D Convention Center Room 235 • Water and Water Clusters

S. E. Bradforth, Presiding 1:20—127. Thermodynamics of supercooled and glassy water. P. G. Debenedetti 2:00—128. Intra- and intermolecular vibra tions of 3-coordinated water clusters. U. Buck 2:40—129. Thermodynamics of strong elec trolyte solutions in the volume-metric: Par tial molar and excess free energies. R. C. Dougherty 3:00—130. Forces in hydration: The delicate balance between ionic and hydrogen-bond interactions. J. M. Lisy 3:20—Intermission. 3:40—131. Water in protein dynamics and function. M-C. Bellissent-Funel 4:20—132. Rotational constants of all water trimer isotopomers: Effects of intermolecu lar torsional and symmetric stretching ex citations. Z. Bacic, D. Sabo, S. Graf, S. Leutwyler • Chemistry of Reactive Intermediates and Modeling in Hydrocarbon Conversion cosponsored with Division of Fuel Chemistry (see page 93) Nonlinear Optical and Electronic Materials cosponsored with Division of Computers in Chemistry (see page 86)

A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112) WEDNESDAY MORNING Section A

Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media Presiding

8:40—133. Reactive quenching of electroni cally excited OH radicals by molecular hy drogen. M. I. Lester 9:20—134. Spin-orbit relaxation and recom bination dynamics in l2~(C0 2 ) n and l2~ (OCS)n cluster ions: A new type of photofragment caging reaction. W. C. Llneberger, T. Sanford, A. Sanov 10:00—135. Removal of the double adiabatic approximation for proton-coupled electron-transfer reactions in solution. S. Hammes-Schiffer 10:20—Intermission. 10:40—136. Nonadiabatic molecular dynam ics simulations of photodissociation and recombination in molecular cluster ions: Anomalous charge flow and ultrafast spinorbit quenching. R. Parson, N. Delaney, J. Faeder 11:20—137. Solvent-induced nonadiabatic transitions. P. F. Barbara, D. H. Son, T. Kee, P. Kambhampati 11:40—138. Charge migration and control of site-selective fragmentation of small pep tide ions. F. Remade

Section Β Convention Center Room 217 • Water and Water Clusters

R. C. Dougherty, Presiding 8:20—139. Liquid water models: Beyond TIP4P and the density(T) problem. W. L Jorgensen, C. Jenson, M. W. Mahoney 9:00—140. Molecular beam studies of nanoscale films of amorphous solid water. B. D. Kay, Z. Dohnalek, G. A. Kimmel, K. P. Stevenson, R. S. Smith 9:40—141. Electron solvation dynamics in Γ(Η 2 0) η clusters. D. M. Neumark 10:00—142. Structure and reactivity of sol utes in water clusters. I. H. Hillier, R. Bryce, J. McNamara, M. A. Vincent 10:20—Intermission. 10:40—143. 2-D vibrational spectroscopy of water. D. D. Dlott, J. C. Deak, L. K. Iwaki, S. T. Rhea 11:20—144. Construction of polarizable models for water and other liquids by di rect fitting to ab initio quantum chemistry. R. A. Friesner


Imaging in Chemical Dynamics Time-Resolved Dynamics

8:40—145. Femtosecond time-resolved photoelectron imaging. T. Suzuki 9:20—146. Femtosecond time-resolved photoelectron-photoion coincidence imag ing. C. C. Hayden, J. A. Davies 10:00—147. Fragmentation of the Na 3 + clus ters by He impact: Nonadiabatic aspects. D. Babikov, Y. J. Picard, F. Aguillon, M. Barat, J-C. Brenot, H. Dunet, J. A. Fayeton, V. Sidis, M. Sizun 10:20—Intermission. 10:40—148. Photoelectron and photofrag ment velocity mapping following the exci tation of CH3I to the Α-band using fs, ps, and ns laser pulses. P. C. Samartzis, B. L. G. Bakker, D. H. Parker, T. N. Kitsopoulos 11:20—149. Anisotropic photofragment dis tributions: What have we learned from β? R. Bersohn

Section D Convention Center Room 235 Materials, Spectroscopy, and Water

S. N. Yaliraki, Presiding 8:20—150. Photoinduced electron transfer in clusters of a fullerene-aniline dyad. K. G. Thomas, V. Biju, M.V. George, D. M. Guldi, P. V. Kamat 8:40—151. Local electronic properties of self-assembled metal nanocrystals. M. P. Pileni, A. Taleb, F. Charra, F. Gusev, F. Silly 9:00—152. Cobalt nanosized particles orga nized in a 2-D superlattice: Synthesis, characterization, and magnetic properties. C. Petit, M. P. Pileni 9:20—153. Alkanethiol multilayer formation on oxidized gold substrates. J. T. Wood ward, M. L. Walker, C. Meuse, D. Vanderah, A. L. Plant 9:40—154. Morphological, electrical, and spectroscopic studies of novel semicon ductor nanoparticles. L. I. Halaoui, R. L. Wells, L. A. Coury Jr. 10:00—155. Theory of electronic transport through single molecules at metal interfac es. S. N. Yaliraki, M. A. Ratner 10:20—Intermission. 10:40—156. 3-D time-resolved FTIR spec troscopy studies of photochemistry at 193.3 nm. J. D. Wrobel, M. Green, I. A. McLaren, W. M. Jackson 11:00—157. Spectroscopy of alkoxy radicals. T. S. Dibble, C. Wang, L. G. Shemesh, W. Deng, M. D. Lilien, D. R. Katz 11:20—158. Relationship between the quasiliquid phase and multilayer physical ad sorption. B. F. Henson, L. L. Foster, K. R. Wilson, J. M. Robinson 11:40—159. Change in water dynamics in the presence of mono- and disaccharides. A. M. Tsai, D. A. Neumann Nonlinear Optical and Electronic Materials cosponsored with Division of Computers in Chemistry (see page 87) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

*

• •


• !

ENVIRONMENTAL ISSUES Η MATERIALS

; •·


R. E. Continetti, Organizer, Presiding


M. Okumura,


Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media

D. M. Wardlaw, Presiding 1:20—160. Nonadiabatic dynamics in manybody systems. V. A. Apkarian 2:00—161. Spectroscopy and dynamics of deactivation of M(nsnp1Pi) to M(nsnp3Pj) states (M = metal atom) in M(nsnp1P2) + RG collisions, M · RG diatomics, (M · RG)n clusters, and M · (RG) solid matrices (RG = rare gas). J. G. McCaffrey, J. G. Kaup, W. H. Breckenridge 2:40—162. First-principles studies of photoinduced isomerization and electron trans fer. T. J. Martinez 3:20—Intermission. 3:40—163. Photoinduced homolytic C-X bond cleavage in ring-halogenated aryl ke tones. P. J. Wagner, A. Gudmansdottir, H-J. Yoon 4:20—164. Electronic energy and charge transfer in slow ion collisions from a firstprinciples quantum dynamics: Systems with several active electrons. D. A. Micha 4:40—165. Kinetic energy dependence of competitive spin-allowed and spin-forbid den reactions: V + + CS2. P. B. Armentrout, C. Rue, I. Kretzschmar, D. Schroeder, J. N. Harvey, H. Schwarz


Section D Convention Center Room 235 • Water and Water Clusters

V. L. Colvin, Presiding 1:20—177. Transforming H 2 0 at very high pressures. R. J. Hemley 2:00—178. Growth and spectroscopic characterization of water clusters in superfluid liquid helium nanodroplets. R. E. Miller, K. Nauta 2:40—179. Soft-sticky dipole model of water under stress. T. Ichiye 3:00—180. Ionic water clusters probe aqueous chemistry. B. S. Fox, M. Beyer, S. E. Joos, U. Achatz, G. Nledner-Schatteburg, V. E. Bondybey 3:20—Intermission. 3:40—181. About simple pair potentials for simulated water: Is there room for improvement? B. Guillot, Y. Guissani 4:20—182. Slow dynamics in supercooled water: Theory and simulations. F. Sciortino Nonlinear Optical and Electronic Materials cosponsored with Division of Computers in Chemistry (see page 87) A First Accomplishments of U.S. DOE Environmental Management Science Program cosponsored with Division of Nuclear Chemistry & Technology (see page 112)

Modern Electronic Structure Theory: Celebrating the 1998 Nobel Prize in Chemistry Cosponsored with Division of Computers in Chemistry

WEDNESDAY EVENING

L. Curtiss, Organizer M. A. Ratner, J. Del Bene, Presiding


1:10—Introductory Remarks. L. Curtiss 1:20—166. Quantum chemical models. J. A. Pople 2:00—167. Development and applications of the ONIOM, an integrated MO + MM method. K. Morokuma 2:40—168. Methods and results for spectra and reactions. E. R. Davidson 3:20—Intermission. 3:40—169. Approximating CCSD(T) calcula tions with perturbation theory methods. T. H. Dunning Jr., K. A. Peterson 4:20—170. GIAO-DFT approach to the cal culation of NMR and EPR parameters: Quantitative results and qualitative inter pretations. G. Schreckenbach, Y. RuizMorales, S. K. Wolff, J. Khandogin, S. Patchkovskii, T. Ziegler 4:40—171. Excited states in density function al theory. M. Levy, F. E. Zahariev

Section C Convention Center Room 228 Imaging in Chemical Dynamics Multiparticle Detection

C. C. Hayden, Presiding 1:20—172. Using time- and position-sensitive detection for the study of intramolecular dy namics. W. J. van der Zande, R. Peverall, R. Thomas, S. Rosén, M. Larsson, R. Bobbenkamp 2:00—173. Three-body dissociation dynamics of the ozone-water complex. A. K. Luong, T. G. Clements, R. E. Continetti 2:40—174. 3-D momentum space imaging for ions and electrons. R. Dôrner, H. Brauning, V. Mergel, O. Jagutzki, T. Weber, L. Spielberger, M. Achler, C. L. Cocke, T. Osipov, A. Landers, M. H. Prior, H. Schmidt-Bôcking


3:20—Intermission. 3:40—175. Photodissociation of H 2 0: An excellent case for unimolecular dissociation. X. Yang 4:00—176. Dynamics of state-selected ionsurface reactions. D. C. Jacobs, M. Maazouz, P. L. Maazouz

Section A

Poster Session

G. C. Senate, Presiding 7:00-9:00 Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media 183. Photodissociation of water in the Β band. R. van Harrevelt, M. C. van Hemert 184. Nonadiabatic chemistry in energetic ma terials. M. R. Manaa, L. E. Fried 185. Photodissociation dynamics of the CNN free radical. R. T. Bise, A. Hoops, H. S. Choi, D. M. Neumark 186. Dynamics of electron solvation in Γ hydrogen-bonded and xenon clusters. A. V. Davis, M. T. Zanni, C. Frischkorn, D. M. Neumark 187. Withdrawn. 188. Quantum mechanical modeling of the femtosecond spectroscopy of the nonadia batic photoisomerization in rhodopsin. S. Hahn, G. Stock 189. Effect of excited electronic states in intense-field molecular dissociation. J. T. Paci, D. M. Wardlaw 190. Adiabatic and approximate diabatic po tential energy surfaces for the weakly bound Al-H 2 complex. J. Williams, M. H. Alexander 191. Photodissociation dynamics of the para digm Nal molecule in polar solvent clus ters. G. H. Peslherbe, B. M. Ladanyi, J. T. Hynes 192. Collision-induced electronic energy transfer in l2(E) + He, Ar, l2(X). T. A. Ste phenson, C. J. Fecko, M. A. Freedman, M. J. Krisch 193. Ultraviolet photodissociation dynamics of I Br using state-selective translational spectroscopy. W. S. McGivern, R. Li, T. Nguyen, S. W. North 194. Electronic state mixing in AIArn clusters. M. Okumura, J. M. Spotts, C-K. Wong, J. A. Boatz, J. A. Sheehy, P. W. Langhoff, R. J. Hinde 195. Effect of a strong external field on the electronic dephasing of a solute that is cou pled to a solvent. R. I. Cukier, M. Morillo


JULY 26, 1999 C&EN 1 2 5

PHYS/TECHNICAL PROGRAM

Imaging in Chemical Dynamics 196. Photofragment translational spectrosco py with state-selective "universal detec tion": The ultraviolet photodissociation of CS 2 . W. S. McGivern, O. Sorkahabi Jr., A. Razvi, A. G. Suits, S. W. North 197. Development of a 2-D imaging detector for surface photochemistry applications. M. G. White, R. M. Rao, R. J. Beuhler 198. Femtosecond studies of dissociation dy namics using 3-D imaging techniques. J. A. Davies, C. C. Hayden 199. Velocity map imaging of crossed molec ular beam scattering: The HCI-Ar system. D. W. Chandler, K. T. Lorenz 200. Imaging studies utilizing synchrotron ra diation at the advanced light source. D. S. Peterka, M. Ahmed, C. Ng,A. G. Suits 201. Probing metastable 0 4 * with velocity map imaging. D. S. Peterka, M. Ahmed, A. G. Suits 202. Van der Waals minima on the potential surface of the OH + HCL -> CL + H 2 0 re action. G. Lendvay Spectroscopy, Clusters, and Beams 203. Formation of a ground-state twisted-in ternal-charge-transfer conformer of 4-(dimethylamino)benzaldehyde. P. W. Jagodzinski, G. P. Kushto 204. Electronic energy dynamics of photoexcited ternary Zintl phase LiSbTe2 and the distance estimation between trap sites by laser power saturation spectroscopy. Y-R. Kim, S-G. Kang, J-S. Jung, S-H. Lee 205. Investigation of low-frequency vibration al modes of solutions by heterodynedetected optical Kerr effect measurements with femtosecond time resolution. P. Piotrowiak, J . R. Smith 206. Infrared laser spectroscopy of jet-cooled organometallic compounds. S. Reeve, A. Ford, M. Draganjac 207. Subthreshold photoionization of CH3I in Ar, N 2 , and C0 2 . C. M. Evans, R. Reininger, G. L. Findley 208. Kinetic energy release distributions in the photoionization-induced dissociative rearrangements of weak complexes. E. A. Walters, J. R. Grover, D. L. Arneberg, G. Hagenow, J. T. Clay, B. M. Cheng, M. V. Willcox 209. Study on the spectra character of the excited-state europium complex with dif ferent ligand. C. Zhang, L. Zhang, C. Lin 210. Rotational spectroscopy of biomolecules and their water clusters. M. J. Tubergen, K. A. Kuhls, R. J. Lavrich 211. Barrier to methyl internal rotation in the B-tilda state of 1-methylvinoxy radical: LIF and CASSCF studies. S. A. Williams, F. Weinhold, J. C. Weisshaar 212. Structure and dynamics of Hen-LiH van der Waals clusters. B. K. Taylor, R. J. Hinde 213. Solvent effects on the fluorescence of p-/V,Aklimethylaminocinnamic acid. S. E. Arnold 214. Rotational coherence spectroscopy and mass-resolved resonant two-photon ion ization spectroscopy of fluorene-Xn (X = H 2 0, CH3OH, CH3CN, NH3) clusters. D. M. Laman, A. G. Joly, D. Ray 215. Semiempirical self-consistent field con figuration interaction calculations of the electronic spectroscopy of the V 2 , VNb, and Nb2 dimer molecules. T. A. O'Brien, M. C. Zerner 216. Infrared activity of neat and doped (pH2)n clusters. R. J. Hinde, B. K. Taylor, T. Sivakumaran 217. Reactivities of vanadium oxide cluster cations: Insights into catalysis. R. C. Bell, K. A. Zemski, A. W. Castleman Jr. 218. Transition-metal carbon clusters: Fur ther evidence of the unique electronic properties and stability of met-car clusters. S. E. Kooi, H. Sakurai, A. W. Castleman Jr. 219. Symmetry-forbidden and symmetryallowed electron transfer in a donoracceptor spiran. S. Manrao, R. Kobetic, P. Piotrowiak 220. Artificial photosynthesis with novel porphyrin-flavin dyads: Sensitivity analysis of distance and orientation variation on electron transfer. S. Stark, A. B. J. Parusel, G. Koehler, D. Hermann, G. Grabner 221. Photochemical reaction of ozone and 2-butyne: An infrared matrix isolation study. J. K. Parker, S. R. Davis 222. Photoinduced hydrogen-atom transfer in free-base porphyrin. K. A. Nguyen, R. Pachter

1 2 6 JULY 26, 1999 C&EN

Modern Electronic Structure Theory: Celebrating the 1998 Nobel Prize in Chemistry 223. Implementation of the COSMO solva tion model into the Amsterdam density functional package. C. Pye, T. Ziegler 224. Prediction of the 195Pt-NMR chemical shifts with the inclusion of relativistic ef fects: Pauli and ZORA formalisms. T. M. Gilbert, T. Ziegler 225. Calculation of NMR chemical shifts by the DFT-GIAO method with inclusion of relativistic effects: Pauli and ZORA formal ism. S. K. Wolff, T. Ziegler 226. Quantum chemical studies of the disso ciation pathways of alkoxy radicals formed in the atmospheric degradation of isoprene. T. S. Dibble 227. Complete basis set and Gaussian com putational study of dissociative recombina tion process of the cyanogen ion (CN+). B. S. Jursic 228. Relativistic effects on heavy metalligand NMR spin-spin couplings: A density functional study. J. Khandogin, T. Ziegler 229. Prediction of EPR g-tensors of trans ition-metal complexes with density func tional theory: First applications to some axial d 1 MEX4 systems. S. Patchkovskii, T. Ziegler 230. Density functional calculations of NMR chemical shifts with the inclusion of spinorbit coupling in tungsten and lead com pounds. A. Rodriguez-Fortea, P. Alemany, T. Ziegler 231. Chemical supercomputing on the cheap. S. Patchkovskii, R. Schmid, T. Ziegler 232. Applications of Kohn-Sham density functional theory to biomolecular magne tism: Direct-exchange and super-ex change in transition-metal complexes. J. H. Rodriguez, J. K. McCusker 233. Direct recurrence relations for the rapid and stable determination of rotation matri ces between complex spherical harmon ics. C. H. Choi, J. Ivanic, M. S. Gordon, K. Ruedenberg 234. Advanced initial-guess algorithms for self-consistent field calculations on trans ition-metal-containing systems. G. Vacek, J. K. Perry 235. Theoretical modeling of nonplanar polyhalogenated porphyrins. A. Ghosh, R. Lie 236. Accurate density functional with correct formal properties: A step beyond the gen eralized gradient approximation. S. Kurth, J. P. Perdew, A. Zupan, P. Blaha 237. Ab initio study of argon monofluoride and other argon-fluorine complexes. G. J. Hoffman, M. Colletto, D. L. Biermann 238. Comparison of strained hydrocarbon isomerization pathways calculated at the MCSCF and HF levels. S. R. Davis, J. E. Walker 239. Quantum and semiclassical modeling of solvent effects on NLO properties. H. Agren 240. Characteristics of calculated vibrational frequencies along chemical reaction paths. D. K. Malick, J. A. Keith, Y-T. Chen, G. A. Petersson 241. Testing density functionals in the quasi 2-D electron gas. L. Pollack, J. P. Perdew 242. Negative local thermodynamic tempera ture: Electronic motion. S-K. Lin 243. Can ab initio potential surfaces be ob tained without the basis set superposition error? G. Lendvay, I. Mayer Theory and Structure 244. Similarity principle and rejection of Gibbs paradox. S-K. Lin 245. Symmetry principle and similarity princi ple. S-K. Lin 246. Quantum chemical studies of the ther mal decomposition of furan. K. Sendt, G. B. Bacskay, J. C. Mackie 247. Theoretical study of photoinduced elec tron transfer in a molecularly doped conju gated polymer: The effect of lattice relax ation. B-Y. Jin, D-S. Yang 248. NMR solution structures of undecanucleotide duplexes containing /V,6-deoxyadenosine adducts derived from a 9,10epoxide and 7,8-diol-9,10-epoxide of 7,8,9,10-tetrahydrobenzo[a]pyrene. P. Pradhan, X. Liu, D. M. Jerina, J. Sayer, J. H. Shah, M. K. Lakshman, H. J. C. Yeh 249. Small HOMO LUMO gap carborazines. L. L. Griffin, D. J. Klein

250. Gas-phase proton transfer between zwitterion and protonated ion: An experi mental and ab initio study. W. D. Price, T. Lindbery 251. Regularities in the spin states of "iso l a t e d " HX, HeX+, LiX, FX, NeX+, and ArX+ species. C. A. Deakyne, J. F. Liebman 252. State-of-the-art excited-state INDO/S calculations. D. W. De Kee, C. H. Martin, M. C. Zerner 253. Memory equation algorithm: Crossover from adiabatic to nonadiabatic regimes for reduced dynamics in spin-boson models. A. A. Golosov, R. A. Friesner, P. Pechukas 254. Developing new computational algo rithms for the construction of adsorption isotherms. L. Nadal, G. E. Lopez Kinetics and Environmental 255. Oxidation of psychotropic drugs with /v-haloamines: A kinetic and mechanistic study by spectrophotometric method. S. Ananda, T. S. Raju 256. Free-radical chain photoreduction of CFC-11 on Ti0 2 particle surfaces. K. J. Winkelmann, R. L. Calhoun Jr., G. Mills 257. Kinetics of the reaction between p-benzoquinone imines and naphthols. C. W. Rushing, R. C. Thompson 258. Withdrawn. 259. Hydroxyl radical quantum yields from the 248-nm and 308-nm photolysis of hy drogen peroxide in the aqueous phase. X-Y. Yu, J. R. Barker 260. Specificity and nonspecificity in the C02-laser-sensitized reaction of tetrachloroethene. B. L. Earl, R. L. Titus 261. Kinetic measurements of ethyl peroxy radical with NO and N 0 2 using pulsedlaser thermal lens spectrometry. S. L. Nickolaisen, J. A. Cabrera, S. Sharma, D. Mah 262. Laser-induced fluorescence detection of atmospheric N 0 2 at parts-per-trillion mix ing ratios: Implications for nitrogen oxide photochemistry in the stratosphere and troposphere. R. C. Cohen 263. Generation of singlet oxygen by direct excitation of silica: A time-resolved study. I. N. Ivanov, R. Dabestani, M. E. Sigman 264. Characterization and application of Ti0 2 -Al 2 0 3 and Ti0 2 -Si0 2 composite photocatalyst attached to hollow glass microbead. M-Y. Zhao, X-R. Zhang, J-H. Zhao, J-X. Zhao 265. Experimental 1H-NMR and computa tional studies of internal rotation kinetics of solvated formamide. A. N. Taha, N. S. True 266. Instability of lrBr63~ in solution: Kinetic consequences. R. J. Hanrahan, C. M. Hoag 267. Activity and characterization of new type catalyst of oxidation of carbon oxide. M-Y. Zhao, P. Yang, J. H. Zhao, J. X. Zhao 268. Mechanism of methanol carbonylation over nickel supported on activated carbon. M. Abraham, A. Merenov 269. Gas-phase nuclear magnetic resonance study of (15N)trifluoroacetamide: Compari son of experimental and computed kinetic parameters. C. LeMaster, C. LeMaster, N. True • Water and Water Clusters 270. Spectroscopic investigation of water as sociated with NaCI aerosols. D. D. Weis, G. E. Ewing 271. Uptake of S 0 2 by liquid water and ice. Z. Zhang, G. E. Ewing 272. Diffusion of HCI and Na in ice measured using a new laser resonant desorption depth-profiling technique. F. E. Living ston, S. M. George 273. Structures and energetics of multiple anions of the nucleic acids and cytosine hydrates. E. S. Chen, E. C. M. Chen 274. Calculating overtone intensities of water clusters. G. R. Low, H. G. Kjaergaard 275. Theoretical ab initio study of dipolebound anion of water dimer. W-S. Sheu, S-Y. Chen


276. Concerning the chemical reactivity of the ice surface. C. Pursell 277. Experimental model studies of the pep tide bond. G. T. Fraser, A. R. Hight Walk er, F. J. Lovas, R. D. Suenram 278. Giant negative-ion enhancement in electron-induced dissociation of CF 2 CI 2 coadsorbed with water and ammonia ices. Q-B. Lu, T. E. Madey 279. Structure, stability, and phase diagrams for water clusters. M. C. Vicens, G. E. Lopez 280. Ice on BaF2(111) under ambient condi tions. V. Y. Sadtchenko, D. Ferry, G. E. Ewing 281. Water solvation of sodium hydroxide, hydrogen chloride, and hydrogen fluoride. A. Yoshikawa, M. S. Gordon 282. Quantum mechanical probabilistic struc ture of the water dimer with an excess electron. K. S. Kim, J. Kim, J . Y. Lee, K. S. Oh, J. M. Park, S. Lee 283. Aqueous potassium(l) complexes: Ab initio study. K. S. Kim, H. M. Lee, J. Kim, S. Lee, B. J. Mhin 284. Structures, binding energies, and spec tra of the water hexamer, heptamer, and octamer clusters: Extensive ab initio stud ies. K. S. Kim, J. Kim, H. M. Lee, D. Majumdar 285. Ab initio studies of structures, energet ics, infrared, and charge-transfer-tosolvent spectra of halide water clusters: X"(H 2 0) n , (X = F, CI, Br, I, and η = 1-6). K. S. Kim, J. Kim, D. Majumdar, H. M. Lee, J. Baik 286. Spectroscopy of a series of AAphenylamides and their water clusters in a su personic jet expansion: Solvation of model cis and trans amides. A. V. Fedorov, J. R. Cable 287. Origin of temperature and pressure ef fects on the radial distribution function of water. J. Urquidi, C. H. Cho, G. W. Rob inson 288. Effects of water of solvation on double proton-transfer reactions. D. E. Folmer, E. S. Wisniewski, A. W. Castleman Jr. 289. Introduction of ionic defects in small wa ter clusters: A computational study. P. L. M. Plummer 290. Capillary absorption of methane on model Titan ices: Implications for a hidden hydrocarbon ocean. J. M. Robinson, L. L. Foster, K. R. Wilson, L. B. Smilowitz, J. L. Casson, M. K. Dubey, M. S. Johal, B. F. Wilson 291. Investigating the role of quasi-liquid lay ers in tropospheric chemistry. L. L. Fos ter, K. R. Wilson, J. M. Robinson, B. F. Henson 292. Excess electron binding by (H 2 0) 2 , (H 2 0) 3 , H 2 0 NH 3 , and H 2 0 · · HCI. M. S. Gutowski, P. Skurski 293. Fluorescence-dip infrared spectroscopy of 2-pyridone, its dinners, and water clus ters. G. M. Florio, C. J. Gruenloh, R. C. Quimpo, T. S. Zwier 294. Hydrogen-bound clusters of tryptophan analogs and water. J. R. Camey, G. M. Florio, T. S. Zwier 295. Probing the surface of aqueous ammo nia solutions with sum-frequency genera tion. D. Simonelli, S. Baldelli, M. J. Shultz 296. Role of adsorbed water on the hetero geneous reaction of nitric acid and calcium carbonate. A. L. Goodman, G. M. Under wood, V. H. Grassian 297. THz time-domain spectroscopy of wa ter: An indication for a collective plasma oscillation of H 3 0 2 ~ ions. M. Koch, I. H. Libon, N. E. Hecker, J. Feldmann, D. M. Mittleman, A. Hayd, G. Zundel 298. Investigation of the heterogeneous re action 2N0 2 (g) + H 2 0(a) -» HONO(g) + HN0 3 (a) on hydrated silica particles: Characterization of gas-phase and ad sorbed products. G. M. Underwood, A. L. Goodman, V. H. Grassian 299. Toward a general theory of hydrogen bonding: Hydrogen bonds involving water. J. H. Jensen, R. M. Minikis, L. C. Remer 300. Parametrization of a flexible polarizable model for water using high-level firstprinciples results. C. J. Burnham, S. S. Xantheas 301. How do natural gas hydrates form? A. Khan 303. Transition path sampling: Rearrange ment of the cage water hexamer. D. Chand ler, J . Y. Lee, C. Dellago

304. Hydrogen bonding of water molecules: From highly ordered hydrogen bonding to the free OH oscillator studied by vibration al sum-frequency generation. L. F. Scatena, G. L. Richmond Chemical Waves, Fronts, and Patterns 305. Isothermal frontal polymerization: Front propagation in experiments and in theory. C. A. Spade, L. L. Lewis, J. A. Pojman, V. A. Volpert 306. Determination of a diffusion coefficient using Liesegang rings: A physical chemis try laboratory experiment. J. A. Pojman, R. Al-Kaisi 307. Polymeric foam experiments in microgravity: Results from the NASA KC-135A parabolic flight experiments. J. A. Pojman, W. J. Ainsworth, J. R. Warren, V. V. Nguyen, P. N. Wahjudi, M. Kendrick, F. Stewart 308. 2-D frontal polymerization. J. A. Poj man, J. Warren 309. Wavefront velocities of the BZ reaction in a varying gravity environment. J. Lauterbach 310. Experimental investigation of the effects of model drugs on pH oscillators. G. P. Misra, R. A. Siegel 311. Free convection effects on formation of polymer properties. K. G. Kostarev Sr., T. M. Yudina Jr. 312. Numerical analysis of TiC combustion synthesis: Critical conditions for ignition. A. Aoufi, D. Vrel, J-P. Petitet 313. Illumination control of Turing structures. M. Dolnik, A. M. Zhabotinsky, A. K. Horvath, A. P. Munuzuri, I. R. Epstein 314. Pattern formation on curved surfaces. N. Manz, S. C. Mueller, O. Steinbock 315. Pattern formation in a reaction-diffusion system with wave instability. M. Dolnik, A. M. Zhabotinsky, A. Rovinsky, I. R. Ep stein 316. Oxidation of organic acids by metal ions and metal-ion complexes. B. Steinbock, N. S. Dalai, O. Steinbock 317. Sulfide-ion-induced pattern formation in swelling polyacrylamide gels. J. C. Zahardis, O. Steinbock 318. Limits of propagation for radical recom bination waves. V. I. Goldanski, E. N. Rumanov, P. Shabalin 319. Tunneling" of autowaves. A. Y. Dovzhenko, S. V. Maklakov, E. N. Rumanov 320. Wave of evaporation in superheated liq uid. A. Y. Dovzhenko, I. E. Rumanov, E. N. Rumanov 321. Effective interfacial tension in miscible fluids. V. Volpert, T. Dumont, Y. Chekanov, J. Masere, J. A. Pojman 322. Polymerization coupled to oscillating re actions: A mechanistic investigation of acrylonitrile polymerization in the BelousovZhabotinsky reaction in a batch reactor. R. P. Washington, W. W. West, G. Misra, J. A. Pojman Molecular Dynamics 323. DNA, a communications network for the cell? T. C. Bishop, Y. Shi, J. E. Hearst 324. Solvation of nonpolar solutes: Molecular dynamics simulations and an information theory approximation. J. W. Arthur, A. D. J. Hay met 325. Time-resolved dynamics of transient neu trals. B. E. Callicoatt, W. C. Lineberger 326. Withdrawn. 327. Explicit outer bonding transformations in liquid water. J. Urquidi, C. H. Cho, G. W. Robinson

•

• •


•


•

PETROCHEMICALS

•


328. Reaction dynamics of Oi3P) + H 2 (•' = 1) -> OH (Χ2π, • ' , J") + H(*S). J. Han, X. Chen, B. R. Weiner 329. Mechanism of the 0( 3 P) + CH3SH reac tion. X. Chen, J. Han, B. R. Weiner 330. Third-order polarized response of CCI4 measured in a nonresonant pump-probe experiment. M. Khalil, O. Golonzka, N. Demirdoven, C. Fecko, A. Tokmakoff 331. Empirical valence bond approach for acetyl radical dissociation dynamics. M. Ito, M. Aoyagi 332. Fluctuations and bonding in lithium clus ters. R. Rousseau 333. Photodissociation study of Si 4 . A. A. Hoops, R. T. Bise, H. S. Choi, D. M. Neumark 334. Experimental study of the calculated H + N 2 0/OH + Na/NH + NO potential energy surface. M. D. Wojcik, T. R. Fletcher 335. Controlling concerted vs. stepwise reac tions of organic peroxyacids with lasers. B. Keller, T. R. Fletcher Materials and Macromolecules 336. Preparation and characterization of organic/inorganic quantum-well based on lead halide layer perovskites. Y. Tabuchi, K. Asai, M. Rikukawa, K. Sanui, K. Ishigure 337. Switching "on" and "off induced chirality in peptide rotaxanes. Z. Francesco, M. Fanti, D. A. Leigh, S. Zhang, M. Asakawa 338. Shear response of n-alkane melts and glasses. M. M. Frey, D. J. Lacks 339. Can a photoinduced electron-transfer reaction occur in PhCoTPP or PhCoTECP? D. E. Nikles, M. J . Kim, C. P. Tidwell 340. Temperature dependence of side-chain polyglutamates. D. Sohn, M-S. Seo, P. Kang, J. Choo 341. NMR relaxation times as a probe of cat ion mobility in zeolites. S. M. Neugebauer Crawford, W. L. Earl 342. Novel amphi-ionophores. K. S. Kim, S. B. Suh, C. Cui, K. S. Oh 343. SEM and TEM imaging of magnetic dis persions containing iron particles. D. E. Nikles, M. Chen 344. Photocarrier generation in nanocrystalline composites of metallophthalocyanines and conjugated polymers. S. Yi, S. A. Jenekhe 345. High-pressure Raman of nanocrystalline oxides. J. F. Bertone, V. L. Colvin 346. Supercritical fluid processing of nanomaterials. Y-P. Sun Interfaces 347. Computer simulation studies of ion transport across a liquid-liquid interface. L. X. Dang 348. Theoretical study of the formation of a passivation film on an electrode surface. P. B. Balbuena, T. Li 349. Electronic to vibrational energy transfer at alkali halide surfaces. S. K. Dunn, S. Conklin, L. Hardy 350. EPR studies of cationic surfactants in solution and adsorbed on silica surfaces. M. G. Bakker, G. L. Turner, E. L. Grang er, T. Morris 351. Surface plasmon resonance microscopy with a near-field scanning optical micro scope. G. A. Fried, P. W. Bohn 352. Polymer adsorption colloid stability in supercritical fluids: Monte Carlo simula tion. J. C. Meredith, K. P. Johnston Thermodynamics and Condensed Matter 353. Use of refractive index in estimating physical properties of nonpolar fluids. M. R. Riazi 354. Entropy and information. S-K. Lin 355. Solvation model for RFF molecular me chanics force field. O. G. Polyakov, A. K. Rappé 356. Withdrawn. 357. Monte Carlo simulations of polarizable liquid water. M. W. Mahoney, W. L. Jorgensen 358. Inhomogeneous vibrational dynamics in compressible supercritical fluids. G. Goodyear, S. C. Tucker Biophysical 359. Characterization of vesicles containing pyrene compounds using DSC and fluorescence spectroscopy. H. Kofune, M. Hara, A. Higuchi

360. Polymorphic transitions in sodium N-[8(2-hydroxybenzoyl)amino]caprylate (SNAC) and sodium /V-[10-(2-hydroxybenzoyl)amino] decanoate (SNAD): Effect of relative humidity. J. Baly, S. Majuru, P. Rath, B. Variano, A. Leone-Bay, R. Baughman, R. Agarwal 361. Reactive oxygen species and sulfoxyl radicals in the aerobic decomposition of thioureas dioxides. R. H. Simoyi, S. A. Svarovsky, C. M. Mundoma, S. V. Makarov 362. Subpicosecond ultrafast dynamics of excited-state flavins. R. J. Stanley, A. W. MacFarlane IV 363. Nonadiabatic charge localization in the hydrogen-bonded cytosine-guanine base pair in DNA. E. S. Chen, E. C. M. Chen 364. Catalytic residue effects on the enzymatic reaction of ketosteroid isomerase. K. S. Kim, K. S. Oh, J. Y. Lee, J. Kim, P. Tarakeshwar 365. Thermodynamic effects of the eukaryotic polyamines on DNA. J. Masciulli, R. J. Wigent, B. Sheridan 366. Derivation of 13C chemical shift surfaces for the anomeric carbons of polysaccharides using ab initio methodology. G. Moyna, R. J. Zauhar 367. Molecular dynamics study of peptide adsorption to a lipid bilayer. C. M. Shepherd, K. A. Schaus, H. J. Vogel, A. H. Juffer 368. Withdrawn. 369. Electric field effect in hole-burning spectroscopy in bacteriorhodopsin film. V. V. Volkov, M. A. El-Sayed 370. Dynamics of DNA condensates at the solid-liquid interface by atomic force microscopy. Μ. Υ. Οηο, Ε. Μ. Spain 371. Topological mechanics and pathological structure of proteins. D. Gurel, O. Gurel 372. Thermodynamic molecular switch in bio logical systems. P. W. Chun Chromophore Aggregates 373. Control of aggregate structure of azobenzene-containing bilayer ligands by metal complexation. T. Nishimi, Y. Ishikawa, T. Kunitake 374. Construction of a 2-D π-electron system based on specific base-pairing in the azobenzene-containing surface monolay ers. M. Morisue, K. Ijiro, M. Shimomura 375. Layered nanocomposites of aggregated dyes and inorganic scaffolding. I. Place, T. Penner, D. Whitten 376. J-Aggregation of photographic dyes on silver halide nanocrystals. G. Strati, P. Rodney, A. Marchetti, A. Muenter 377. Formation of 2-D polydiacetylene as semblies based on DNA-mimetics at the air-water interface. J. Matsumoto, K. Ijiro, M. Shimomura 378. Withdrawn. 379. Femtosecond wave packet motions of diatomic rubidium. L-E. Berg, T. Hansson, B. Zhang 380. Excimer formation in the interiayer re gion of arene-derivatized zirconium phosphonates. W. R. Leenstra, J. C. Amicangelo 381. Withdrawn. 382. Time-resolved fluorescent spectroscopy of single MEH-PPV molecules. D. Hu, J. Yu, P. F. Barbara 383. Dendritic multiporphyrin array for lightharvesting. M-S. Choi, T. Aida 384. Electron-transfer dynamics between molecules and quantum dots. T. Lian, Y-X. Weng, J. B. Asbury, Y. Wang, Y-H. Wang, K. Hang

THURSDAY MORNING Section A Convention Center Room 232 Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media M. S. Gordon,

Presiding

8:40—385. Configuration interaction calcula tions of nonadiabatic effects and applica tions for predissociation and strong vibronic coupling. R. J. Buenker, Y. Li, G. Hirsch, C. Petrongolo, G. Theodorakopoulos, I. D. Petsalakis 9:20—386. Ab initio effective valence shell Hamiltonian theory of electronic spectra and nonadiabatic photodissociations. K. F. Freed 10:00—387. Simulation of vibrationally co herent product formation in ultrafast photoinduced nonadiabatic processes. J. M. Jean 10:20—Intermission. 10:40—388. Harpooning studied by transitionstate spectroscopy: M..XR+/)v -» [M* XR]* -> [M + XR-] â -» products. (X = F, CI, Br; R = H or CH3). J. B. Giorgi, T. G. Lee, A. J. Hudson, F. Naumkin, H-B. Oh, P. Piecuch, J. C. Polanyi 389. Withdrawn. 11:25—411. Aspects of quantum dynamics on conically intersecting potential energy surfaces. H. H. Kôppel

Section Β Convention Center Room 216 Modern Electronic Structure Theory: Celebrating the 1998 Nobel Prize in Chemistry Cosponsored with Division of Computers in Chemistry

M. P. Head-Gordon, K. Raghavachari, Presiding 8:20—390. B12-mediated reactions: A theo retical examination. L. Radom, D. M. Smith, Β. Τ. Golding 9:00—391. Challenges in density-functional theory. A. D. Becke 9:40—392. Past, present, and future of quantum chemistry. H. F. Schaefer III, T. D. Crawford, S. S. Wesolowski, E. F. Valeev, R. A. King, M. L. Leininger 10:20—Intermission. 10:40—393. Quantum chemistry at the inter face of DFT and many-body theory. R. J. Bartlett, S. Ivanov, S. Hirata, C. Jamorski 11:20—394. Parallel direct ab initio molecu lar dynamics on clusters of inexpensive computers. P. Pulay

Section C Convention Center Room 228 Imaging in Chemical Dynamics Vector Correlations

S. W. North, Presiding 8:40—395. Imaging the atomic orbital align ment in photodissociation. O. S. Vasyutinskii 9:20—396. Alignment and photodissociation of iodobenzene. R. J. Gordon, L. Zhu, M. Kawasaki, Y. Matsumi, M. Mashino, S. Akihiro, S. Unny, K. Truhins 10:00—397. Ion imaging measurements of angular correlations in photofragment tra jectories. J. I. Cline, V. K. Nestorov, T. Lorenz, D. W. Chandler 10:20—Intermission. 10:40—398. Atomic orbital angular momen tum alignment and coherence in the pho todissociation of nitrous oxide and ozone. E. R. Wouters, M. Ahmed, D. S. Peterka, O. S. Vasyutinskii, A. G. Suits 11:00—399. Photofragment imaging studies of unimolecular decomposition. A. Sanov, M. Zyrianov, T. Droz-Georget, H. Reisler 11:40—400. Photofragment imaging of stateselective iodine atoms via the photodisso ciation of C2H5I at 280 nm. D. Dai, C. Tao, J. Zhang, J. Xie


JULY 26, 1999 C&EN 1 2 7

PHYS/POLY/TECHNICAL PROGRAM

Section D

Section C

Section Β



Hilton Riverside Belle Chasse Room, 3rd Floor • Controlled Radical Polymerization Advances in Free-Radical Polymerization

• Water and Water Clusters

* Water and Water Clusters

T. Ichiye, Presiding

B. C. Garrett, Presiding

8:20—401. Properties of (H 2 0) n , (H 2 0) n -, and (H20)nH+ clusters. K. D. Jordan, F. Vila, R. Christie 9:00—402. Theoretical unification of the properties of water. G. W. Robinson, C. H. Cho, J. Urquidi, C. Phillips 9:40—403. Spectroscopic properties of water clusters: Relevance to atmospheric radia tive transfer. V. Vaida, A. F. Tuck, L. M. Goss, J. S. Daniel, H. Kjaergaard 10:00—404. Sum-frequency generation of water on atmospherically relevant liquid solutions. M. J. Shultz, S. Baldelli, C. Schnitzer, D. Simonelli 10:20—Intermission. 10:40—405. Computational studies of ice, icy surfaces, and ice clusters. V. Buch 11:20—406. Conformational and vibrational effects of the presence of an electron and halide anions on water clusters. K. S. Kim

1:20—421. Phases of adsorbed water on NaCI(100) under ambient conditions. G. E. Ewing, M. Foster 1:40—422. Thermochemistry and kinetics of small water clusters. B. C. Garrett, S. M. Kathmann, G. K. Schenter 2:00—423. Collisions and reactions at aqueous acid and waterlike surfaces. G. M. Nathanson, B. R. Ringeisen, J. R. Morris, P. M. Behr 2:20—424. Vibrational spectra of hydrated anion clusters. M. Okumura, C-K. Wong, J. D. Lobo 2:40—425. Location of the most stable configurations of water clusters using Monte Carlo simulated annealing and the effective fragment potential. P. N. Day, R. Pachter, M. S. Gordon, G. N. Merrill 3:00—426. Lifetimes of hypochlorous acid on ice surfaces under stratospheric conditions: Effects of coadsorbed nitric acid. J. M. Hicks, F. M. Geiger 3:20—Intermission. 3:40—427. Transport of small molecules across the liquid-vapor interface of water. G. K. Schenter, B. C. Garrett, D. Ray, J. L. Daschbach 4:00—428. Hydronium ion motion: Tunneling and solvation effects. J. P. Cowin, M. J. ledema, K. Wu


THURSDAY AFTERNOON Section A Convention Center Room 232 Joint Session: Electronically Nonadiabatic Processes in Gaseous, Cluster, and Condensed Media/Imaging in Chemical Dynamics


Nobel Prize Symposium and Other Theory Papers

M. S. Gordon, Presiding 1:20—412. When Kohn's density functional theory meets Pople's model chemistry concept, good things happen. G. A. Petersson, D. K. Malick, J. A. Keith, Y-T. Chen, J. W. Ochterski, J. A. Montgomery Jr., M. J. Frisch 1:40—413. Spin-orbit coupling in highly ex cited diatomic cations. M. S. Gordon, C. Ng, D. Federov 2:00—414. Ab initio linear electron correla tion functional. V. A. Rassolov 2:20—415. Multiscale methods for efficient solution of self-consistent electronic struc ture problems. T. L. Beck 2:40—416. G2-like methods: A comparison for weakly bonded systems. P. L. M. Plummer 3:00—417. Modeling kinetics and mecha nisms of important elementary reactions in the thermal de-NO x process. T. N. Truong 3:20—Intermission. 3:40—418. Periodic density functional stud ies with local Gaussian basis sets of ad sorption and coadsorption on metal oxide surfaces. M. S. Gutowski, J. A. Snyder, J. E. Jaffe, Z. Lin, D. Alfonso, A. C. Hess 4:00—419. Molecular electronics (moletronics). J. M. Seminario 4:20—420. Surface scattering of large, bina ry van der Waals clusters at thermal kinet ic energies. H. Vach, M. Châtelet, E. Fort, A. de Martino, F. Pradère

1 2 8 JULY 26, 1999 C&EN

Section C Hilton Riverside Oak Alley Room, 3rd Floor

C. L. McCormick, Organizer A. B. Lowe, Presiding

POLY DIVISION OF POLYMER CHEMISTRY W. Ford, Program Chair


9:00—9. Initiation and termination rates of free-radical polymerizations carried out within extended ranges of temperature and pressure. M. Buback 9:30—10. Emulsion polymerization as a nov el tool in controlled free-radical polymer ization. R. G. Gilbert, J. F. Anstey, N. Subramaniam, M. J. Monteiro 10:00—11. Stereochemistry in radical poly merization of vinyl esters. Y. Okamoto, T. Nakano, K. Yamada 10:30—12. EPR study of conventional and controlled radical polymerization. A. Kajiwara, K. Matyjaszewski, M. Kamachi 10:50—Intermission. 11:00—13. Models for free-radical copolymerization kinetics. T. P. Davis, M. L. Coote, L. Radom 11:30—14. Topochemical polymerization of 1 -naphthylmethylammonium muconate and sorbate as the (E,£)-diene monomers in the crystalline state. A. Matsumoto, T. Odani 11:50—15. Pyrrole diimine copper complex es for initiation and control of atomtransfer radical addition and polymeriza tion processes. B. B. Wayland

Stimuli-Responsive, Water-Soluble, and Amphipathic Polymers

D. G. Truhlar, |_. J. Butler, Presiding 1:20—407. On the role of canonical intersec tions in internal conversion. D. R. Yarkony 2:00—408. Product imaging: Ion counting improvements and applications. P. L. Houston, J. D. Geiser, S. M. Dylewski, B-Y. Chang, J. A. Mueller, R. Wilson, R. Toumi 2:40—409. Quantum scattering studies of electronically nonadiabatic effects in 0( 1 D)+H 2 . G. C. Schatz, K. Drukker 3:20—Intermission. 3:40—410. Photodissociation of radicals, ions, and clusters. D. M. Neumark

K. Matyjaszewski, Organizer K. Matyjaszewski, E. Rizzardo, Presiding

SUNDAY MORNING Section A Hilton Riverside Jasperwood Room, 3rd Floor M Grafted Polymers: Synthesis and Characterization Synthesis

D. Priddy, A. Karim, Organizers D. Priddy, Presiding 8:10—Introductory Remarks. 8:15—1. Role of grafting in morphology development in multiphase systems. M. Demirors 9:00—2. Grafting studies of HIPS materials before and after phase inversion. J . Li, J. M. Sosa 9:25—3. New particle morphologies with controlled grafting. M. Demirors, R. Veraert, C. Hermans 9:50—4. Application of living-radical polymerization to enhance grafting of PS onto PBD. D. B. Priddy Sr., Y. Zhu, B. A. Howell, D. Meunier, J. Lyons, M. Demirors 10:15—5. Facile side-chain functionalization of polybutadiene and its use to prepare graft copolymers. R. Guerrero-Santos, H. J. Harwood, D. Priddy 10:40—6. Controlled synthesis of graft copolymers using the macromomoner methodology: 1,1 -Diphenylethylene-f unctionalized macromonomers. R. P. Quirk, T. Yoo 11:05—7. New synthetic strategy for the preparation of hyperbranched (arborescent) polystyrenes: A one-pot self-grafting process. B. Ivan, M. Szesztay 11:30—8. New graft copolymers prepared from dendritic macromonomers. D. M. Knauss, H. A. Al-Muallem

8:30—Introductory Remarks. 8:40—16. Stimuli-responsive, water-soluble, and amphipathic (co)polymers. C. L. Mc Cormick, A. B. Lowe 9:00—17. Stimuli-responsive, water-soluble polymers and hydrogels: Tailoring of the lower critical solution temperature, and ef ficient grafting on gold surfaces. A. Laschewsky, E. D. Rekai, E. Wischerhoff 9:20—18. Synthesis of polyampholyte microgels. K. W. Hampton Jr., W. T. Ford 9:40—19. Synthesis and solution behavior of pH-responsive cyclocopolymers contain ing a sulfobetaine monomer. R. S. Armentrout, C. L. McCormick 10:00—Intermission. 10:20—20. Self-diffusion of HASE associa tive thickeners. P. M. Macdonald, K. Nagashima 10:40—21. Phase-behavior, rheology, and erosion behavior of hydrogels of fluorocarbon end-capped PEG. J. A. Kornfield, G. Tae, J. A. Hubbell, D. Johannsmann 11:00—22. Reversible gelation of aqueous polymer solutions induced by responsive stickers. D. Hourdet, A. Durand, M. Hervé 11:20—23. Interpenetrating polymer networks with pH and temperature sensitivity. J. Zhang, N. A. Peppas

Section D Hilton Riverside Elmwood Room, 3rd Floor Polymer Characterization

R. B. Moore, Organizer H. Byrd, Presiding 8:10—24. Synthesis of n-vinylcarbazole containing water-soluble polymers and their spectral properties. Ô. Yavuz, A. S. Saraç


8:30—25. Controlled porosity in hydrogels using micellar surfactant templates analysis using gel permeation chromatography and atomic force microscopy. B. C. Patterson, D. H. Van Winkle, M. Chakrapani, B. R. Locke, R. L Rill 8:50—26. Ultrahydrophobic surfaces due to high surface roughness of plasma-polymerized fluoromonomers. M. C. Hsieh, W. Chen, T. J. McCarthy 9:10—27. Expansion of polystyrene using supercritical carbon dioxide: Effects of molecular weight, polydispersity, and low molecular weight components. C. M. Stafford, T. P. Russell, T. J. McCarthy 9:30—28. Aromatic boronic acid flameretardant polymer additives: Synthesis and flame-retardant testing. A. B. Morgan, J. L. Jurs, J. M. Tour 9:50—29. Temperature dependence of the interfacial tension of polymer blends by the imbedded fiber retraction method. G. Biresaw, C. J. Carrière, R. L. Sammler 10:10—30. Thermal characterization of PMMA thin films on silica using modulated differential scanning calorimetry. C. E. Porter, F. D. Blum 10:30—31. Chain-chain interactions in Cu(salen)-polythiophene hybrid materials. R. P. Kingsborough, T. M. Swager 10:50—32. Controlled preparation of nanometer-sized cylinder crystals of polyethylene oxide) embedded in methacrylate matrices. U. Beglnn, E. Fischer, T. Pieper, F. Mellinger, R. Kimmich, M. Môller 11:10—33. Ultrahydrophobic polymer surfaces prepared by simultaneous ablation of polypropylene and sputtering of poly(tetrafluoroethylene) using radio-frequency plasma. J. P. Youngblood, T. J. McCarthy 11:30—34. Synthesis and characterization of a remarkably stable polyimide. F. Wudl, D. Chen H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94)

SUNDAY AFTERNOON Section A Hilton Riverside Jasperwood Room, 3rd Floor H Block Copolymers: Designing Molecules for Applications Synthesis

N. Hadjichristidis, S. Gido, J. Mays, Organizers J. Mays, L. J. Fetters, Presiding 1:30—Introductory Remarks. N. Hadjichristidis, M. Moeller 1:45—35. Structuring materials by block copolymers. L. Leibler 2:30—36. Block copolymers by living cationic polymerization: Comparison of synthetic approaches. R. Faust 3:00—Intermission. 3:15—37. Cross-linkable homopolymers and copolymers by ADMET chemistry. Κ. Β. Wegener, K. R. Brzezinska, R. Schitter 3:45—38. Synthesis of poly(styrene-bisobutylene-b-styrene) block copolymers using real-time in situ ATR-FTIR monitoring. R. F. Storey, T. L. Maggio, L. B. Blister 4:15—39. Block copolymer synthesis by atom-transfer radical polymerization. K. Matyjaszewski, M. H. Acar, K. L. Beers, S. Coca, K. A. Davis, S. G. Gaynor, P. J. Miller, H-J. Paik, D. A. Shipp, M. Teodorescu, J. Xia, X. Zhang 4:35—40. Synthesis and characterization of fluorinated methacrylic polymers from atom-transfer polymerization. D. M. Haddleton, S. G. Jackson 4:55—41. Synthesis of poly(ethylene-bdimethylsiloxane-b-ethylene) by anionic polymerization and hydrogénation. S. F. Hahn, P. C. Vosejpka

Section B Hilton Riverside Belle Chasse Room, 3rd Floor • Controlled Radical Polymerization Basis of Controlled Radical Polymerization and Nitroxide-Mediated Systems

J-P. Vairon, T. P. Davis, Presiding 2:00—42. Classification and comparison of various controlled/living" radical polymerizations. K. Matyjaszewski 2:20—43. Kinetics of controlled radical polymerization. T. Fukuda, A. Goto 2:50—44. Characteristics of phosphonylated nitroxides and alkoxyamines used in controlled/living" radical polymerization. P. Tordo, C. Le Mercier, A. Qaudel, D. Siri, S. Marque, R. Martschke, H. Fischer 3:20—45. Versatile route to functionalized block copolymers by nitroxide-mediated "living" free-radical polymerization. C. J. Hawker, D. Benoit, F. Rivera Jr., M. Piotti, I. Rees, J. L. Hedrick, C. Zech, G. Maier, B. Voit, R. Braslau, J. M. J. Fréchet 3:50—Intermission. 4:00—46. Nitroxide-mediated controlled freeradical emulsion polymerization of styrene. B. Charleux, M. Lansalot, J-P. Vairon, R. Pirri, P. Tordo 4:30—47. Controlled free-radical polymerization of styrene in the presence of an alkoxyamine based on a β-phosphonylated nitroxyl radical: Comparison with bicomponent systems nitroxide/initiator. J-F. Lutz, P. Lacroix-Desmazes, B. Boutevin 4:50—48. Triazolinyl radicals: An alternative radical with a new mechanism in controlled-radical polymerization. K. Muellen, M. Steenbock, M. Klapper 5:20—49. New, commercially viable nitrox ides for "living" free-radical polymerization. R. Puts, J. Lai, P. Nicholas, J. Milam, S. Tahilliani, W. Masler, N. Pourahmady

Section C Hilton Riverside Oak Alley Room, 3rd Floor Stimuli-Responsive, Water-Soluble, and Amphipathic Polymers

F. M. Winnik, Presiding 1:15—Introductory Remarks. 1:20—50. Temperature- and pH-responsive polymer/liposome complexes: Design, characterization, and applications. F. M. Winnik 1:40—51. Light-stimulated destabilization of PEG-liposomes. D. F. O'Brien, A. Mueller, B. Bondurant 2:00—52. Macromolecular assemblies gen erated by inclusion complexes between amphipathic polymers and β-cyclodextrin polymers in aqueous media. C. Amiel, E. Renard, A. Sandier, L. Moine, M. Gosselet, B. Sebille 2:20—53. Interactions between hyperbranched unimolecular micelles and lipo somes as cell membrane-mimics. J. Guo, S. Farrell, H. Liu, K. E. Uhrich 2:40—Intermission. 3:00—54. Proteins as amphipathic biopolymeric materials. G. C. Cannon, J. S. Goodwin, P. A. Stroud, G. G. Martin, C. L. McCormick

3:20—55. Surface-assembly and aqueous behavior of an amphipathic fungal hydrophobin and an associated polysaccharide. G. G. Martin, G. C. Cannon, C. L McCor mick 3:40—56. Phase transition in protein-based hydrogels. J . Lee, F. Prochazka, D. W. Urry, C. W. Macosko 4:00—57. Nonionic polysilanes and polysilynes in aqueous solution: Polymer struc ture vs. temperature. T. J . Cleij, J. K. King, L. W. Jenneskens 4:20—58. Hard hydrogel/soft xerogel transi tion of poly(silamine) gel. Y. Nagasaki, L. Luo, M. Kato, T. Tsuruta, K. Kataoka

Section D Hilton Riverside Elmwood Room, 3rd Floor Polymer Synthesis

R. B. Moore, Organizer A. Guymon, Presiding 1:10—59. Functional derivatives of poly(4'fluoro-2,5-diphenylsulfone) via nucleophilic aromatic substitution. P. D. Bloom, V. V. Sheares 1:30—60. Second-generation phenacylsulfonium salts: A new class of cationic photoinitiators. S. Kong, J. V. Crivello 1:50—61. Plasma polymerization of solidphase polymer reactants (nonclassical sputtering of polymers). J. P. Youngblood, T. J. McCarthy 2:10—62. Anionic polymerization of ethyl 2-cyanoacrylate in carbon dioxide. E. Kung, A. J. Lesser, T. J. McCarthy 2:30—63. Perfluorinated thermosetting res ins. A. Watakabe, J-l. Tayanagi, A. Okawara, Y. Jitsugiri 2:50—64. Polymerization of α-olefins with bulky pendant groups: 3-(1-Adamantyl)-1propene. A. J. Van Reenen, L. Coetzee, L. J. Mathias 3:10—65. Kinetics and mechanism of the bromination of butyl rubber. G. Kaszas 3:30—66. Synthesis, polymerization, and ki netic studies of the new monomer, 4,5dicyano-2-vinylimidazole. D. M. Johnson, P. G. Rasmussen, N. A. Clarke, S. E. Reybuck, R. G. Lawton 3:50—67. Synthesis of β-iminoaminate zirco nium complexes and their application in ethylene polymerization. X. Jin, B. Novak 4:10—68. Catalytically self-threading mainchain polyrotaxane. D. Tuncel, J. H. Steinke 4:30—69. Synthesis of polyamide with nar row molecular weight distribution by condensative chain polymerization. T. Yokozawa, T. Asai M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63) H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94)

SUNDAY EVENING Section A Convention Center Exhibit Hall A Poster Session 5:30-7:30 Polymer Characterization

R. B. Moore, Organizer, Presiding

*

• • •


H


•

PETROCHEMICALS

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70. Thin-film behavior of polystyrene-6/oc/rpoly(methyl methacrylate) diblock copoly mer at the air-water interface. Y. Seo, H. Yu, J. Kim, S. Park 71. Study of the crystallization behaviors of different polypropylenes. Y. Seo, K. U. Kim, J. Kim 72. Interactions between hydrophobically modified polyelectrolytes and mucin. L. E. Bromberg 73. Identifying toxic degradation products in cellulose acetate dialyzers. A. D. Lucas, J. A. Kalson, J. C. Hutter, R. R. Wallis 74. Evaluation of the adamantyl effect on Tg. H. Yagci Acar, L. J. Mathias, J. Jensen, K. Thigpen, J. McGowen, D. McCormick, L. Somlai 75. Approach to processable PMR polyimides. C. A. Gariepy, R. K. Eby, M. A. Meador

76. Development of processable PMR-type polyimides with star-branched structures. B. N. Nguyen, R. K. Eby, M. A. Meador 77. Determination of poly(p-phenylene)benzoxazole number-average molecular weight. Y-H. So, U. W. Suter, J. D. Romick 78. Hydrogels as potential viscoelastic probes for studying accommodation: Op tional, swelling, and mechanical properties of polyethylene glycol (400) methacrylate hydrogels. K. S. Murthy, N. Ravi 79. Study on property of electron transfer of a fluorescent polymer containing stable radicals on main chains. N. Lu, C. Wang, H. Zhou, D. Wang, T. Li 80. 2-D ordering array of Si0 2 nanoparticles. Y. Zhang, C. Wang, Y. Bai, Ζ. Liu, Y. Wei 81. Interfacial charge separation of a heterostructured material based on monocarboxylized terthiophene on η-silicon wafer. C. Cao, C. Wang, Y. Zhang, T. Li, Y. Cao 82. Experimental studies of phase transitions in solutions of random heteropolymers. M. McCormick, J. A. Reimer 83. Substrate specificity in polymer-catalyzed solvolysis reactions of p-nitrophenyl alkanoates in aqueous methanol solution. G-J. Wang, W. K. Fife, S. Liu, S. Rubinsztajn, M. Zeldin 84. Solid polymer electrolytes prepared by UV irradiation of polyethylene oxide)/ epoxy diacrylate/lithium perchlorate blends. Y-W. Chang, D-W. Jung, S-T. Noh 85. Dilute solution properties of starbranched polystyrene in the good solvent benzene and two θ solvents, cyclohexane and diethyl malonate. S. R. Harville, J. W. Mays 86. Electrorheology of semiconducting polyaniline: Polymerization temperature effect. H. J. Choi, J. H. Lee, M. S. Cho 87. Rheological characterization of perfluoropolyether lubricant. H. J. Choi, C. A. Kim, R-N. Kono, M. S. Jhon 88. Surface chemical composition analysis in polymer blends by UV reflection spectros copy. S. Lee, C. S. P. Sung 89. Photoconductivity of substituted polyacetylenes and their doped composites. Η. Ζ. Chen, J. W. Y. Lam, R. S. Xu, M. Wang, Β. Ζ. Tang 90. Extremely high and readily tunable opti cal activity in a poly(phenylacetylene) with small-size amino acid pendant groups. K. K. L Cheuk, J. W. Y. Lam, Q. Sun, J. A. Cha, Β. Ζ. Tang 91. Optically active poly(phenylacetylenes) containing monosaccharide side groups. K. L Cheuk, J. W. Y. Lam, Q. Sun, J. A. Cha, Β. Ζ. Tang 92. Optically active hyperbranched poly(nalkyltriferrocenylsilanes): Thermal transi tion and optical activity. Q. Sun, B. Z. Tang 93. Ultrasound-induced isomerization of stereoregular poly(phenylacetylene). P. P-S. Lee, J. W-Y. Lam, B. Li, T. W-H. Poon, B. Z. Tang 94. Thermal fractionation and characteriza tion of silane-grafted water-cross-linked polyethylene. Y-T. Shieh, J-S. Chen 95. Automated characterization of polymer solutions. R. Strelitzki, W. F. Reed 96. Monitoring absolute molar mass during polymerization reactions. F. H. Florenzano, R. Stelitzki, J-L. Brousseau, W. F. Reed 97. Miscibility study of polymer blends by a novel phosphorescent quenching system. L. Qiao, A. Langner 98. Using FTIR to determine the extent of re action of epoxies under microwave ener gy. J. O. Staffer, D. Zhang, J. V. Crivello 99. Solvent-induced crystallization and solidstate polymerization of polycarbonates fa cilitated by supercritical carbon dioxide. S. M. Gross, M. D. Goodner, G. W. Roberts, D. J. Kiserow, J. M. DeSimone 100. In situ characterization of surface mo lecular orientation of polymer films by fiber optic UV reflection dichroism. M. D. Weir, C. S. P. Sung, Ν. Η. Sung

101. Properties of iron(ll) acetate-catalyzed bulk-polymerized poly(L-lactide). M. Stolt, K. Jalander, A. Sodergard 102. Properties and biodégradation of polyethylene adipate) and poly(butylene succinate) containing styrene glycol units. J-S. Yoon, H-J. Jin, M-N. Kim 103. Heterogeneous time-dependent static light scattering. R. Schimanowski, R. Strelitzki, D. A. Mullin, A. H. Sooklal, W. F. Reed 104. Study on the capping reaction of living polyisobutylene with 2-phenylfuran using online UV-Vis spectroscopy. Y. Kwon, S. Hadjikyriacou, R. Faust, P. Cabrit, M. Moreau, B. Charleux, J-P. Vairon 105. Kinetic modeling of competitive crosslinking reactions for cycloaliphatic epoxides with hydroxyl- and carboxylfunctionalized acrylic copolymers (low pH and temperature effects). H. A. Nash, M. D. Soucek 106. Dissolution of polymer powders. A. Parker, R. D. C. Michel, F. Vigouroux, W. F. Reed 107. Thermal analysis of polystyrene beads for lost foam casting. L. Bu, Y. Wan, H. Littleton, J. W. Mays 108. Holographic data-storage materials formed by photopolymerization in epoxy matrices. T. J. Trentler, J. E. Boyd, V. L. Colvin 109. Inhibition of iron corrosion by aminequinone and sulfur-quinone polyurethanes. D. E. Nikles, Y. Hu, G. W. Warren 110. Shear-induced aggregation in starch solutions. S. Kim, J. L. Willett, C. J. Carrière 111. Analysis of regioregular poly(3-alkylthiophenes) by MALDI-MS. J . Liu, R. McCullough 112. Dynamic mechanical properties and nonisothermal crystallization behavior of sPP/iPP blends. W. Huh, S-W. Lee, U. Hyun, S. H. Hong 113. Investigation into the morphology of polyurethane elastomers with mixed chain extenders. J. V. McClusky, M. A. Pocol, H-J. Sue 114. Comparison of charge-transfer and traditional MALDI matrices for the mass spectrometry analysis of polymers. P. A. Limbach, S. F. Macha 115. Role of high-throughput chromatography in combinatorial chemistry of polymeric materials. M. Petro, A. L. Safir, R. B. Nielsen 116. Surface molecular structure of poly(10,12-nonacosadiynoic acid) LangmuirBlodgett films. S. C. J. Tseng, Z. Bai, J. A. Mann Jr., S. C. Tan, J. B. Lando 117. New functional biodegradable polymers by ROP of purposely designed lactones. D. Mecerreyes, J. L. Hedrick, M. Trollsas, V. Lee, R. D. Miller, C. Detrembleur, O. Halleux, R. Jerome 118. Oscillatory autocorrelation functions from absorbing solutions: A light-scattering probe for aggregation of polyaniline. A. Sehgal, T. A. P. Seery 119. Kinetic study of a surface-initiated polymerization by real-time infrared spectroscopy. D. L. Huber, T. A. P. Seery 120. DC conductivity studies of Nafion carboxylate/sulfonate laminate membranes. K. A. Mauritz, A. A. Lambert III 121. Atomic force microscopy studies of poly(styrene-co-isobutylene-co-styrene) block copolymers, block copolymer ionomers, and block copolymer ionomer/silicate nanocomposites. K. A. Mauritz, D. A. Reuschle, D. A. Mountz, L B. Blister, R. F. Storey, N. Beck Tan 122. Thermogravimetric analysis of poly(styrene-coisobutylene-co-styrene) block copolymers, block copolymer ionomers, and block copolymer ionomer/silicate nanocomposites. K. A. Mauritz, D. A. Reuschle, N. Ali, L. B. Blister, T. L. Maggio, R. F. Storey 123. Mechanical properties of sol-gel-derived Surlyn/silicon oxide nanocomposites. K. A. Mauritz, P. R. Start 124. Influence of n-alkyl branches on thermal properties of polyethylenes prepared by means of metallocene- and palladiumbased catalysts. R. Muelhaupt, D. Maeder, P. Walter, J. Heinemann 125. Withdrawn.


JULY 26, 1999 C&EN 1 2 9

POLY/TECHNICAL PROGRAM

126. Characterizations of core-shell tecto(dendrimer) molecules by tapping mode atomic force microscopy. J . Li, D. R. Swanson, D. Qin, H. M. Brothers, L. T. Piehler, D. J. Meier, D. A. Tomalia 127. Rigid and flexible. A. Y. Fadeev, T. J. McCarthy 128. Production of hydrogen gas in the heavy-ion radiolysis of high-density polyethylene. Z. Chang, J. A. LaVerne 129. Plasma etch resistance of polymeric carbon thin films prepared by electron cyclotron resonance plasma-enhanced chemical vapor deposition. X. Chen, L. M. Tolbert, Z. Y. Ning, D. W. Hess, P. T. Lillehei 130. Optical storage in aniline oligomers. D. S. Dos Santos Jr., C. R. Mendonça, D. T. Balogh, L. De Boni, S. C. Zilio, Ο. Ν. Oliveira Jr. 131. Second-order nonlinear optical polyurethane networks containing azo side groups. H. Wang, C. Yang, X. Jing, Q. Wang, T. Chen, X. Han, F. Wang 132. Caffeine specificity of various nonimprinted polymers in aqueous media. F. A. Villamena, A. A. de la Cruz 133. ^solubilization of sodium chondroitin sulfate potentially for colon-specific drug delivery by interpenetrating network with polyacrylic acid. L-F. Wang 134. Catalytically active Pd(0) nanocomposites based on a liquid-crystal template. D. L Gin, J. H. Ding 135. Structure and dynamics of filled elas tomers. K. Yurekli, R. Krishnamoorti, M. F. Tse, H. C. Wang 136. Molecular imprinting for enantiomeric separations of benzodiazepines. B. R. Hart, D. J. Rush, K. J. Shea 137. Miscibility of phosphine oxide containing poly(imide) and bisphenol A poly(hydroxy ether). S. Wang, T. E. Glass, H. Zhuang, M. Sankarapandian, Q. Ji, A. R. Shultz, J. E. McGrath 138. Behavior of surfactant poly(p-phenylene ethynylene)s at the air-water interface. J. Kim, S. K. McHugh, D. T. McQuade, T. M. Swager 139. Entrapment and separation of polymer molecules in crystalline host systems. N. J. Sunderland, H. R. Allcock 140. Polystyrene/polypropylene polymer blend compatibilization without addition of premade block or graft copolymers or functionalization. N. Furgiuele, K. Khait, J. M. Torkelson 141. Deposition of polypyrrole thin films with enhanced adhesion. G. Cho, J. Jang, l-S. Moon, J-S. Lee 142. Effects of temperature on cure kinetics and mechanical properties of vinyl-ester resins. S. Ziaee, G. R. Palmese 143. Photochemistry of aromatic polyesters: Mechanism and intermediates. C. E. Hoyle, M. D. Ziemer, B. Rufus, K. Viswanathan, D. Hill, D. Hunter, P. Pomery 144. Thermal relaxation of oriented ionomer films: Correlation between mechanical be havior and anisotropic absorption of visible light of an incorporated dye. F. A. Landis, R. B. Moore, K. Song, S-J. Lee 145. Ultraviolet-curable coatings using CAM. R. Subramanian, S. H. Rachakonda, O. W. Smith, S. F. Thames 146. Photoassisted grafting of maleic anhy dride onto PP via reactive processing. B. Pan, R. B. Moore III 147. Interactions of polar functional groups in Nafion/poly(propylene imine) dendrimer blends. E. P. Taylor, R. B. Moore 148. Formation of cation-exchanged clay nanocomposites. G. D. Barber, R. F. Stor ey, R. B. Moore III 149. Withdrawn. 150. PP/PA6 blends compatibilized by poly(oxypropylene)amide-functionalized PP. J-J. Lin, M-Y. Young, F-P. Tseng, F-C. Chang 151. Crystallization behavior and mechanical properties of low-density polyethylene and metallocene linear low-density polyethyl ene blend. S-W. Lee, J-Y. Kim, U. Hyun, W. Huh 152. Significance of chain-length-dependent termination on the photopolymerization of multifunctional (meth)acrylates. J . Nie, L. G. Lovell, C. N. Bowman 153. Functionality of fibrinogen bound to PDMS biomaterial. P. W. Whitlock, S. J. Clarson, G. S. Retzinger

1 3 0 JULY 26, 1999 C&EN


C. L. McCormick, Organizer, Presiding 154. Studies on morphology and swelling ki netics of novel physical cross-linked chitosan hydrogels. X. Qu, A. Wirsén, A-C. Albertsson 155. Synthesis of water-soluble polymers by atom-transfer radical polymerization. J. T. Rademacher, M. Baum, M. E. Pallack, W. J. Brittain, W. J. Simonsick Jr. 156. Comparative studies of HEUR and di-nalkyl ether associative thickeners. D. Mistry, T. Annable, C. Booth 157. Synthesis and characterization of tertiary amine ABA and BAB triblock copolymers: A comparative study. G. F. Unali, S. P. Armes, N. C. Billingham, Ζ. Tuzar, I. W. Hamley 158. Formaton of block copolymer micelles and reverse micelles in aqueous solution. V. Burtun, S. P. Armes, N. C. Billingham, Ζ. Tuzar 159. Synthesis and aqueous solution proper ties of novel hydrophilic/hydrophilic block copolymers based on tertiary amine methacrylates and polyethylene oxide). L. Bailey, M. Vamvakaki, N. C. Billingham, S. P. Armes 160. Conformational changes of polyelectrolytes depending on salt concentration. D. Sohn, J. Yang 161. Synthesis of amphiphilic photoresponsive dendrons. D. V. McGrath, S. Li, S. Sikder 162. Synthesis and photophysical character ization of amphiphilic linear-dendritic block copolymers. C. Kim, Y. Chang, Y. C. Kwon, S. C. Lee 163. Silicones for photoinduced refractive in dex modulation: Divinyl end-capped siloxane macromer in poly(dimethylsiloxane) matrix. J. M. Jethmalani, J. A. Komfield, R. H. Grubbs, D. M. Schwartz 164. Reorganization of unilamellar phospho lipid vesicles in aqueous media by the am phipathic fluorescently modified apolipophorin-lll. P. A. Stroud, B. J. Cuevas, G. C. Cannon, C. L. McCormick 165. Synthesis and characterization of re sponsive zwitterionic cyclopolymers con taining a novel carboxybetaine monomer. D. B. Thomas, R. S. Armentrout, C. L. McCormick 166. Kinetic investigations of photoinitiated free-radical polymerization of diallyldimethylammonium chloride. C. L. Lester, C. A. Guymon 167. pH-responsive water-soluble polyelectrolytes incorporating poly(ethylene glycol) macromonomers. G. D. Poe, C. L. Mc Cormick 168. Characterization of turbulent induced polysaccharide xanthan gum. H. J. Choi, C. A. Kim, J-l. Sohn 169. Thermoreversible phase transitions of amphiphilic poly(2-ethyl-2-oxazoline)/ poly(e-caprolactone) block copolymers in aqueous solutions. C. Kim, S. C. Lee, S. W. Kang, I. C. Kwon 170. Synthesis and properties of watersoluble thermosensitive copolymers hav ing phosphonium groups. T. Nonaka, K. Makinose, S. Kurihara 171. Fluorescence studies of novel hydrophobically modified polyacids. L. Swanson, N. J. Flint, I. Soutar, S-C. Yu 172. Time-resolved fluorescence studies of interactions of poly(A/-isopropylacrylamide) with sodium dodecyl sulfate. C. K. Chee, S. Rimmer, I. Soutar, L. Swanson 173. Hydrophobically modified polyphosphazene polyelectrolytes. A. K. Andrianov, Y. Y. Svirkin, J. Chen, Β. Ε. Roberts 174. Synthesis of well-defined, stimuliresponsive, water-soluble polymers by the RAFT process. M. S. Donovan, A. B. Lowe, C. L. McCormick Polymer Synthesis

R. B. Moore, Organizer, Presiding 175. Thin coatings derived from cubic octasilicate monomers. C. Li, G. L. Wilkes 176. Dynamics of acrylic coupling agents at interfaces of composites. H. Jo, F. D. Blum 177. Novel, highly efficient transition-metalbased system for the polymerization of norbornene and its derivatives. A. D. Hen nis, J. D. Polley, A. Sen

178. Synthesis and polymerizaton of new quaternary ammonium amphiphilic meth acrylates. D. Avci, L. J. Mathias 179. Novel, protected, functionalized initia tors for anionic polymerizations. J. A. Schwindeman, E. J. Granger 180. Transition-metal-catalyzed ethene homo- and copolymerization in the pres ence of exfoliated organophilic layered sil icates and polyolefin nanocomposite for mation. R. Muelhaupt, J. Heinemann, P. Reichert, R. Thomann 181. Electroactive conjugated polymers con taining furan. C. L. Gaupp, B. Tsuie, J. Brzezinski, J. R. Reynolds 182. Alkyl-substituted poly(thienylene vinylene) by acyclic diene metathesis poly merization chemistry. B. Tsuie, Κ. Β. Wagener, J. R. Reynolds 183. Electron-rich alkylenedioxy derivatized polypyrroles: A new class of low oxidation potential conducting polymers. K. Zong, P. Schottland, C. A. Thomas, J. R. Reynolds 184. Poly(3,4-alkylenedioxypyrroles), aque ous switchable polymers with low formal redox potentials: Stable materials for bio logical applications. C. A. Thomas, P. Schottland, K. Zong, J. R. Reynolds 185. Poly(3,4-alkylenedioxythiophene) films: Electrical and optical properties. I. Giurgiu, J. R. Reynolds, W. Lee, K. R. Brenneman, A. J. Epstein, D. John, J. Hwang, D. B. Tanner 186. Symmetrically derivatized poly(3,4propylenedioxythiophene). L. J. Kloeppner, D. M. Welsh, J. R. Reynolds 187. Model compound study of sol-gel pre cursor interaction with free fatty acids. M. D. Soucek, C. R. Wold, H. Ni 188. Synthesis and characterization of poly(2-ethynylpyridinium tosylate) contain ing propagyl side chain. J-W. Park, Y. W. Lee, Y. S. Gal, J. M. Ko, J. H. Chun 189. Synthesis and properties of new elec troluminescent material and poly(2,6-A/-2ethylhexylcarbazolylcyanoterephthalidene). J-W. Park, H. C. Park, W. K. Kim, J. H. Lee, T. W. Kim 190. Synthesis of nitric oxide releasing silicone rubbers for biomedical applications. H. Zhang, M. H. Schoenfisch, M. E. Meyerhoff 191. Polymerization of 1-hydrido-1-vinyldimethylsiloxy-3,3,5,5-tetramethylcyclotrisiloxane. J. K. Paulasaari, W. P. Weber 192. Synthesis and characterization of novel poly(aryl ether ketone)s containing fluo rine pendant group. G. B. Wang, C. Chen, Z. Jiang, H. Zhou, X. Liu, W. Zhang, Z. Wu, X. Tian 193. Hyperbranched poly(acrylic acid) grafts on polyethylene: Substrates for synthesis of functionally elaborate surfaces. G. Tao, J. G. Franchina, D. E. Bergbreiter 194. Stereospecific anionic polymerization and novel hydrogen-transfer polymeriza tion of ot-(aminomethyl)acrylates having unprotected amino group. H. Baraki, S. Habaue, Y. Okamoto 195. New synthetic approaches to soluble polyarylenevinylene type of fluoresent polymers. Z. Wu, D. Wang 196. Preparation and epoxy curing of novel Mannich bases. J-J. Lin, S-F. Lin, F-P. Tseng, F-C. Chang 197. Synthesis and electrorheological char acterization of polyaniline-Na+-montmorillonite clay suspensions. H. J. Choi, J. W. Kim, S. G. Kim, M. S. Jhon 198. Chemical oxidation and electrochemical oxidation on phenyl-capped oligoanilines. J. Gao, J. Jin, W. Zhang, K. Li, Y. H. Yu, C. Wang, Z. Wu, Z. H. Wei, Y. P. Ji 199. Synthesis of oligoanilines containing func tional groups. J. Gao, W. Zhang, K. Li, Y. H. Yu, C. Wang, Z. Wu, Z. H. Wei, Y. P. Ji 200. Synthesis and optical limiting in the co polymers of C6o and 1-phenyl-1-butyne. H. Xu, Q. Sun, B. Z. Tang 201. Polymerizations of terminal and internal diynes. K. Xu, Q. Sun, P. P. S. Lee, F. Salhi, Β. Ζ. Tang 202. Synthesis of polymer-supported reagents with enhanced accessibility and selectivity. S. D. Smith, S. D. Alexandratos


203. Synthesis and characterization of poly(biphenyl sulphone). T. Ben, R. Ruan, C. Chen, H. Zhou, J. Huang, Y. Zheng, Z. Jiang, Z. Wu 204. Design of specific fluorescence sensory polymers for the detection of TNT. Y-J. Miao, J. Kim, T. M. Swager 205. Synthesis and derivatization of novel multifunctional perfluoropolyethers. W. C. Bunyard, J. M. DeSimone 206. Synthesis of two-stage composite latex particles by dispersion polymerization in carbon dioxide. J. L. Young, R. J. Spontak, J. M. DeSimone 207. Novel fluorenyltitanium(IV) complex as initiator for syndiotactic polystyrene and highly 1,4-c/s-polybutadiene polymeriza tions. S. Y. Knjazhanski, G. Cadenas, G. Moreno, M. Zamora 208. Polymerization of uniform macrocyclic carbonate initiated by neutral or weak ba sic salt. J-l. Sugiyama, R. Nagahata, M. Goyal, M. Asai, M. Ueda, K. Takeuchi 209. Syndiospecific polymerization of styrene with polymethylene-bridged dinuclear halftitanocenes. D-H. Lee, S-K. Park, S. K. Noh 210. Synthesis of copoly[1,5-(4,8-dimethylanthraquinonylene) or 1,8-(4,5-dimethylanthraquinonylene)/3,3,5,5-tetramethyl-4oxa-3,5-disila-1,7-heptanylene] by Rucatalyzed Murai reaction, combined with acid-catalyzed siloxane equilibration poly merization. W. P. Weber, S. K. Gupta, C. L. Kepler 211. Synthesis of [n]-polyurethanes and hy perbranched polyurethanes. E. W. Meijer, R. M. Versteegen, R. P. Sijbesma 212. Formation of trialkylsilyl monolayers on Si(100) using organosilanes in carbon di oxide. C. Cao, T. J. McCarthy 213. Transition-metal phthalocyanine and porphyrin complexes as catalysts for the polymerization of olefins. G. S. Long, B. Snedeker, K. Bartosh, M. L. Werner, A. Sen 214. Synthesis of redox gradient porphyrin dendrimers containing carbazole groups. J. A. Nikles, D. E. Nikles 215. Prepration of porphyrin dendrimers with ester linkages. D. E. Nikles, H. Tang 216. Amine-quinone polyimides. D. E. Nikles, M.Han 217. Copolymers of (3-methoxyethoxyethoxymethyl)thiophene and (3-polyfluoroalkyl)thiophenes. R. L. Pilston, R. D. McCullough 218. Using Grignard metathesis to synthe size regioregular, head-to-tail coupled poly(3-substituted)thiophenes. R. S. Loewe, R. D. McCullough 219. Toward new amphiphilic polythiophenes: Synthesis of regioregular phosphonic acid functionalized polythiophenes. K. Heuzé, R. D. McCullough 220. Regioregular, head-to-tail coupled, amine-functionalized polythiophenes. P. C. Ewbank, G. Nuding, H. Suenaga, R. D. McCullough, S. Shinkai 221. Rapid, orthogonal synthesis of poly(benzyl ester) dendrimers. A. W. Freeman, J. M. J. Fréchet 222. Functional microspheres and microgels by precipitation polymerization of divinylbenzene-55 and maleic anhydride. R. S. Frank, J. S. Downey, K. Yu, H. D. H. Stover 223. Poly(methyl methacrylate) stereocomplexes by a single polymerization. D. H. Adamson, M. T. Reetz 224. Bridged metallocenes as models in propylene homopolymerization and ethylene/ propylene copolymerization studies. M. Dankova, J. L. Maciejewski Petoff, R. M. Waymouth 225. Enhanced electron-phase-transfer catalysis by a macrocyclic ionene oligomer, cyclobis(paraquat-p-phenylene). H. Noguchi, H. Tsutsumi, M. Komiyama 226. Design and synthesis of poly(aryl ether sulphone)s containing biphenyl moieties. T. Ben, R. Ruan, Z. Yang, C. Chen, Y. Zheng, Z. Wu 227. Study of the mechanism of dispersion polymerization. J. Kim, J. Choi, S. Kang, S. I. Hong, M. Park, C. R. Choe 228. Synthesis of poly(propylene-graftstyrene) from a "living" free-radical macroinitiator. P. A. Fox, R. M. Waymouth, C. J. Hawker 229. Perfluorocyclobutane-containing silarylene-siloxane polymers with pendant trifluoropropyl groups. J. Rizzo, F. Harris

230. Poly(pyridinium salts): Synthesis and polymerization of new bis(pyrylium trifiâtes). G. B. Wayton, F. Lin, F. W. Harris 231. Synthesis of a biphenyl-containing, achiral, V-shaped liquid-crystalline polyester. F. Bai, J. Ge, S. Z. D. Cheng, F. W. Harris 232. Synthesis and characterization of optically active, main-chain, liquid-crystalline polyesters. Z. Zhang, J. J. Ge, F. Bai, Y. Li, L-C. Chien, S. Ζ. D. Cheng, F. W. Harris 233. Synthesis and characterization of new polyphenylquinoxalines via self-polymerizable quinoxaline monomers. D. J. Klein, J-B. Baek, F. W. Harris 234. Synthesis and characterization of polyimides containing multiple alkyl side chains. H. Wang, Z. Shen, M. Guo, S. Z. D. Cheng, F. W. Harris 235. Development of an improved synthetic route to an A-B quinoxaline monomer. J-B. Baek, F. W. Harris 236. Synthesis and characterization of polyanhydride copolymers for controlled drug delivery. A. J. Sanders, B. Li, C. Bieniarz, F. W. Harris 237. Polypropylene surface modification by entrapment functionalization. B. Walchuk, D. E. Bergbreiter, H. N. Gray, B. Holtzman 238. Synthesis and characterization of block copolymer ionomer nanocomposites. D. Mountz, D. Reuschle, R. Storey, K. Mauritz 239. Synthesis and characterization of polyacene materials. G. L. Baker, C. Wang, C. Ruud 240. Controlled cationic polymerization of p-alkoxystyrene and p-hydroxystyrene in aqueous media. K. Satoh, M. Kamigaito, M. Sawamoto 241. Synthesis of polymeric networks by atom-transfer radical polymerization. F. Asgarzadeh, E. Beyou, P. Chaumont 242. Synthesis of polymeric networks by re versible addition-fragmentation transfer polymerization. F. Asgarzadeh, E. Beyou, P. Chaumont 243. Stereoregulation in cationic polymeriza tion by designed Lewis acids: Formation of isotactic polyvinyl ethers). M. Ouchi, M. Kamigaito, M. Sawamoto 244. Controlled polymerization of cyclohexene oxide. T. Sarbu, E. J. Beckman 245. Development of nanoscale rods and fi bers from polymerizable lyotropic liquidcrystal templates. B. A. Pindzoia, B. P. Hoag, D. L. Gin 246. Polymerization of the Ζ and Ε isomers of bis(triethoxysilyl)-2-butene. D. A. Loy, R. M. Shaltout, J. P. Carpenter, K. Dorhout, K. J. Shea 247. Phosphazene azides: A new means for polymer cross-linking and property modifi cation. T. J. Hartle, M. B. Mcintosh, H. R. Allcock 248. Phosphorylated phosphazenes as flame-retardant polymers and polymer ad ditives. J. P. Taylor, H. R. Allcock 249. Chromophore-incorporated fluorinated aromatic polyester for electro-optic appli cations. C. Zhang, C. Wang, C. Zhou, M. S. Lee, M. Chen, L. R. Dalton, H. Zhang, W. H. Steier 250. Novel urethane-urea copolymers con taining siloxane linkages for electro-optic applications. C. Wang, C. Zhang, C. Zhou, M. Chen, L. R. Dalton, G. Sun, H. Zhang, W. H. Steier

*

• •


A


•

PETROCHEMICALS

•


251. Design, synthesis, and characterization of high-β chromophores with fused-ring polyenes. G. Todorova 252. Fabrication of metal and metal-oxide macromolecular networks within fluoropolymer free volumes. T. S. Koloski, T. G. Vargo 253. Ring-opening and ring-forming polymeriza tion of 1,2:5,6:9,10-triepoxydecane. R. Nonokawa, T. Satoh, K. Yokota, T. Kakuchi 254. Cross-linking of poly(y-decenyl-Lglutamate) by intermolecular olefin met athesis. D. S. Poche, L. L. Matter Jr., J. M. Perrualt 255. Synthesis of polynorbornene with ali phatic and aromatic side chains. A. S. Abd-EI-Aziz, A. L. Edel, L. J. May 256. Design of iron- and ruthenium-con taining polymers. A. S. Abd-EI-Aziz, Ε. Κ. Todd, C. R. de Denus, A. A. Dembek, P. J. Fagan 257. Polymerization of phenyllactide. G. L. Baker, T. L. Simmons 258. Segmented poly(arylene ether phosphine oxide)-poly(dimethylsiloxane) copoly mers. W. D. Polk, S. J. Mecham, S. Wang, M. Sankarapandian, T. E. Glass, J. E. McGrath 259. Fluorinated oxetane polyol modified segmented polyurethane elastomers. Q. Ji, J. Wang, S. Wang, H. Kang, T. E. Glass, J. E. McGrath 260. Investigation of multifunctional maleimide/vinyl ether photopolymerization by computer simulation. R. B. Pandey, D. Yang, Y. Liu, C. E. Hoyle, S. Jônsson, J. B. Whitehead 261. Mechanistic investigation of the photopolymerization of maleimide/vinyl ether monomer mixtures. C. E. Hoyle, D. Yang, K. Viswanathan, S. Jonsson, C. Hasselgren 262. Mechanistic role of sensitizers in the photopolymerization of acrylates initiated by maleimides. C. E. Hoyle, C. K. Nguyen, K. Viswanathan, M. C. Cole, C. W. Miller, A. T. Johnson, W. Xia, D. Hill, L Shao, S. Jonsson 263. Synthesis of narrow-polydispersity 3-star-polystyrene via nitroxide-mediated radical polymerization. N-L. Yang, D. Zhou 264. Design, synthesis, and first metal complexes of dendritic 5,5"-disubstituted2,2':6',2"-terpyridine ligands. U. S. Schubert, C. H. Weidl, C. N. Moorefield, G. R. Baker, G. R. Newkome 265. Chirality induction in cyclopolymerization of nonconjugated asymmetrical diene having chiral template. H. Nakade, T. Uesaka, M. Obata, K. Yokota, T. Kakuchi 266. Synthesis, characterization, curing, and thermostability of ladderlike polyepoxysiloxanes. Y. Lin, K. P. Pramoda, W. Chen, T. S. Chung, R-B. Zhang 267. Synthesis, characterization, and electrostatic dissipating property of comblike poly(oxyalkylene)imide-functionalized PP and SEBS. J-J. Lin, S-M. Shau, l-J. Cheng, C-N. Chen 268. Synthesis of poly[disilanyleneethynyleneoligo(thienylene)ethynylene]s and their photoconductivity. M. Kakimoto, H. Kashihara, Y. Yamaguchi, T. Takiguchi 269. Precipitation polymerization of divinylbenzene: An investigation of the particle formation mechanism. J. S. Downey, R. S. Frank, G. Mclsaac, H. D. H. Stover 270. Synthesis of calcium-ion-containing telechelic poly(L.L-lactide) ionomers. J. W. Sherman, R. F. Storey 271. Probing the effects of livingness of the carbocationic polymerization of isobutylene. C. L. Curry, R. F. Storey 272. Rapid monomer consumption during initiation of living cationic polymerization of isobutylene. R. F. Storey, A. B. Donnalley 273. Real-time isobutylene polymerization kinetics via ATR-FTIR spectroscopy: Effect of temperature and medium polarity using BCI3 coinitiator. T. L. Maggio, R. F. Storey 274. Ring-opening polymerization of ethylene carbonate and depolymerization of polyethylene oxide-coethylene carbonate). J-C. Lee, M. H. Litt

Section C

MONDAY MORNING Section A Hilton Riverside Jasperwood Room, 3rd Floor

Hilton Riverside Oak Alley Room, 3rd Floor Stimuli-Responsive, Water-Soluble, and Amphipathic Polymers

M Grafted Polymers: Synthesis and Characterization Characterization

A. Karim, Presiding 8:10—Introductory Remarks. 8:15—275. Influence of polymer-polymer and polymer-surface interactions on the formation and swelling of end-grafted polymer layers. J. F. Douglas 9:00—276. Shearing telechelic brushes. J. Klein, E. Eiser, T. A. Witten, L. J. Fetters 9:25—277. Neutron reflectivity of grafted polymer brushes under shear. S. K. Satija, R. Ivkov, P. Butler, L. J. Fetters 9:50—278. Frictional behavior of self-assembled polymer brushes. P. Schorr, S. M. Kilbey Jr., M. Tirrell 10:15—279. Kinetic vs. thermodynamic control of protein adsorption by grafted polymer layers. I. Szleifer, J. Satulovsky 10:40—280. Mobility of polymers in nanometer slits: Kinetics of polymer melt intercalation in layered silicates. E. P. Giannelis, H. Chen, J. Demeter, E. Manias, N. Hadjichristidis, A. Karim 11:05—281. Phase separation in a polymer/ particle mixture: The influence of a grafted layer on the surface of the particles. A. C. Balazs 11:30—282. Dynamics of interacting spherical polymer brushes. D. Vlassopoulos, M. Kapnistos, G. Fytas, J. Roovers

Section Β Hilton Riverside Belle Chasse Room, 3rd Floor • Controlled Radical Polymerization Atom-Transfer Radical Polymerization

T. Fukuda, T. E. Patten, Presiding 8:30—283. Transition-metal-catalyzed living radical polymerization: Recent progress. M. Kamigaito, M. Sawamoto 9:00—284. Phenolic-based initiators for atom-transfer polymerization. D. M. Haddleton, P. J. Derrick, C. Waterson, M. D. Eason 9:30—285. Recent advances in atom-trans fer radical copolymerization. B. Klumperman, G. Chambard 9:50—286. Controlled-radical polymerization mediated by one-electron atom-transfer chemistry of transition-metal complexes: Electrochemistry and combinatorial ap proaches. B. M. Novak, C. Goh, Y-J. Kwark 10:20—Intermission. 10:30—287. Atom-transfer radical polymer ization of η-butyl acrylate: Synthesis and characterization of linear and star-type homopolymers. A. Muehlebach, F. Rime, U. Pfeiffer 10:50—288. Copper catalyst in atom-transfer radical polymerizations: Structural obser vations. G. Kickelbick, U. Reinoehl, T. S. Ertel, H. Bertagnolli, K. Matyjaszewski 11:10—289. Atom-transfer radical polymer ization of vinyl monomers mediated by stable ruthenium-carbene complexes. A. Demonceau, F. Simal, L. Delaude, D. Jan, A. F. Noels 11:40—290. Polychloroalkanes as ATRP ini tiators: Application to the synthesis of block copolymers from the combination of conventional radical polymerization and ATRP. M. Destarac, B. Boutevin, K. Maty jaszewski 12:00—291. Supramolecular initiators for controlled polymerization of styrène. U. S. Schubert, G. Hochwimmer

Y. Morishima, Presiding 8:30—Introductory Remarks. 8:40—292. Stimuli-responsive amphiphilic copolymers of sodium 2-(acrylamido)-2methylpropanesulfonate and associative macromonomers. T. Noda, A. Hashidzume, Y. Morishima 9:00—293. Photoresponsive hydrophobically modified polyelectrolytes containing cinnamic chromophores. K. Szczubialka, H. Hashimoto, Y. Morishima 9:20—294. Shear- and pH-induced associative behavior of twin-tailed, hydrophobically modified, water-soluble polymers. G. L. Smith, C. L. McCormick 9:40—295. Photoresponsive thickening of aqueous solutions. I. Porcar, B. Cesar, C. Tribet 10:00—Intermission. 10:20—296. Fluorescence quenching kinetics of anthracene-labeled poly(methacrylic acid). J. H. Clements, S. E. Webber 10:40—297. Luminescence studies of thermoresponsive nanoparticles. I. Soutar, N. J. Flint, S. Gardebrecht, L. Swanson 11:00—298. Manipulating the thermoresponsive behavior of NIPAM-based polymers. L. Swanson, C. K. Chee, S. Rimmer, I. Soutar 11:20—299. Photoinduced refractive index modulation of bismethacrylate end-capped siloxane macromer in poly(dimethylsiloxane) matrix. J. M. Jethmalani, J. A. Kornfield, R. H. Grubbs, D. M. Schwartz

Section D Hilton Riverside Elmwood Room, 3rd Floor Hydrogen Bonding for Macromolecular Self-Assembly

A. C. Griffin, R. N. DeMartino, Organizers A. C. Griffin, Presiding 8:30—300. Architecture and dynamics of reversible polymers based on hydrogen bonding. R. P. Sijbesma, J. Η. Κ. Κ Hirschberg, S. H. M. Soentjens, E. W. Meijer 9:00—301. Supramolecular liquid-crystalline materials formed by hydrogen-bonded as sembly processes. T. Kato, T. Yasuda, K. Kanie, O. Ihata, N. Mizoshita, K. Hanabusa, M. Ukon, Y. Shimizu 9:30—302. Miscible polymer blends through hydrogen bonding: Design and control of polymer properties. E. M. Pearce, T. K. Kwei 10:00—303. Construction of thermotropic and amphotropic liquid crystals by hydro gen bondings. H. Kresse 10:30—304. Polyesteramides based on PET and nylon 2,T (PETA). K. Bouma, R. J. Gaymans 11:00—305. Hydrogen bond templatedirected polymerization of protected 5'acryloylnucleosides. A. Marsh, D. M. Haddleton, M. J. Hannon, A. Khan, D. Kukulj 11:30—306. Noncovalent complexes from various acidic heterocycles and afunction al amidine bases. A. Reichert, K. Arno M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63) H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94) Teaching Polymers at All Levels: Kindergarten to Graduate School cosponsored with Division of Chemical Education (see page 75)


JULY 26, 1999 C&EN 1 3 1


MONDAY AFTERNOON

Section C Section A

Hilton Riverside Jasperwood Room, 3rd Floor Block Copolymers: Designing Molecules for Applications Applications

C. K. Ober, V. Abetz, Presiding 1:30—307. Amorphous-crystalline block polymer as a fuel oil additive. L. J. Fetters 2:00—308. Self-assembly of block-copolymer-based photonic materials. E. L. Thomas 2:30—309. Theory of fiber stabilization in self-assembled peptide β-sheet tapes. I. Nyrkova, A. Semenov, A. Aggeli, N. Boden 3:00—Intermission. 3:15—310. Block copolymers with low sur face energy, liquid-crystalline segments: The interplay of surface and bulk liquid crystallinity. C. K. Ober, M. Xiang, K. Char, J. Genzer, E. Sivaniah, E. J. Kra mer, D. A. Fischer 3:45—311. Templating nanoporosity in organosilicates with well-defined branched macromolecules and block copolymers. J. Hedrick, M. Trollsas, C. Nguyen, J. Remenar, C. Hawker, K. Carter, W. Volksen, D. Yoon, R. Miller 4:15—312. Application-oriented structure variation of cationic block copolymers. W. Jaeger, B-R. Paulke, A. Zimmermann, A. Lieske, U. Wendler, J. Bohrisch 4:35—313. Diblock thin films with regularly packed nanochannels. G. Liu, J. Ding, T. Hashimoto, F. M. Winnik 4:55—314. Characterization of di- and triblock copolymers using coupled chro matographic methods. J. Falkenhagen, H. Much, W. Stauf, A. H. E. Mueller 5:15—315. Synthesis and characterization of shell cross-linked nanoparticles containing a degradable core domain. K. L. Wooley, Q. Zhang

Section Β Hilton Riverside Belle Chasse Room, 3rd Floor Controlled Radical Polymerization Degenerative Transfer and New Materials by CRP

D. M. Haddleton, P. Chaumont, Presiding 2:00—316. Synthesis of defined polymers by reversible addition-fragmentation chain transfer. E. Rizzardo, J. Chiefari, R. T. A. Mayadunne, G. Moad, S. H. Thang 2:30—317. Preparation of macromonomers via chain transfer, with and without added chain transfer agent. J. Chiefari, J. Jeffery, G. Moad, E. Rizzardo, S. H. Thang 2:50—318. Endgroup control in catalytic chain transfer polymerization. J. P. Heuts, D. M. Morrisson, T. P. Davis 3:10—Intermission. 3:20—319. Stars and star-block copolymers of precise functionality by atom-transfer radical polymerization. Y. Gnanou, S. Angot, D. Taton, G. Hizal, S. Murthy 3:50—320. Controlled/"living" radical poly merization: The next frontier in polymer science? K. Matyjaszewski, S. G. Gay nor 4:10—321. Copolymerization of η-butyl acrylate with methyl methacrylate and PMMA macromonomers: Comparison of reactivity ratios in conventional and atom-transfer radical copolymerization. Α. Η. Ε. Mueller, S. G. Roos, K. Matyjaszewski 4:40—322. Preparation of polymer-inorganic hybrid nanoparticles using controlled/ "living" radical polymerization. T. E. Pat ten, T. von Werne 5:10—323. Chain-end functionalization of polystyrene obtained by quasiliving atomtransfer radical polymerization. B. Ivan, T. Fonagy 5:30—324. "Living'Vcontrolled radical poly merization initiated by redox system. 6. Yan, W. Wang 5:50—325. Radical copolymerization of N-substituted maleimides with styrene us ing atom-transfer radical polymerization. G-Q. Chen, Z-Q. Wu, J-R. Wu, Z-C. Li, F-M. Li

1 3 2 JULY 26, 1999 C&EN

TUESDAY MORNING

Hilton Riverside Oak Alley Room, 3rd Floor

Section A


S. P. Armes, Presiding 1:15—Introductory Remarks. 1:20—326. Synthesis of novel shell crosslinked micelles with hydrophilic cores. S. P. Armes 1:40—327. pH-responsive morphological changes of block copolymer aggregates. H. Shen, L. Zhang, A. Eisenberg 2:00—328. Cationic copolymer micelles and anionic polyelectrolytes forming oniontype micelles. M. R. Y. Talingting, P. Munk, S. E. Webber 2:20—329. Solution behavior of hydrophobically modified polyvinylamine and dodecyltrimethylammonium bromide. R. Y. Lochhead, S. V. Maggio 2:40—330. Use of responsive polyelectrolyte and hydrogen-bonded polymers in surface chemistry and catalysis. D. E. Bergbreiter 3:00—Intermission. 3:20—331. Thermal sequestration of trace metals from aqueous solutions of poly(A/isopropylacrylamide)copolymers. J. D. Frels, D. E. Bergbreiter, N. Koshti 3:40—332. Amphiphilic copolymers by atomtransfer polymerization with carbohydratebased initiators and monomers. D. M. Haddleton, S. A. F. Bon 4:00—333. Controlled polymerization of acrylamides. D. Li, J. T. Rademacher, C. M. Rademacher, M. Baum, D. Malaba, M. Pallack, W. J. Brittain 4:20—334. Shear-responsive water-soluble polymers utilized in drag reduction. M. E. Cowan, C. L. McCormick, R. D. Hester

Section D Hilton Riverside Elmwood Room, 3rd Floor M Hydrogen Bonding for Macromolecular Self-Assembly

R. N. DeMartino, Presiding 1:30—335. Liquid crystals from hydrogenbonded systems. D. W. Bruce, K. Willis, G. Ungar 2:00—336. Supramolecular association of acid-terminated polydimethylsiloxane in nonpolar solvents. L. Bouteiller, S. Abed, S. Boileau 2:30—337. Wittig reactions on phosphoniumstoppered [2]rotaxanes: A new route to macromolecular daisy chains. J. F. Stoddart, S. J. Rowan, S. J. Cantrill 3:00—338. Spontaneous formation of dou ble-twisted helix in a banana-shaped liquid crystal and isoregic chiral smectic C poly ester. L-C. Chien, C-K. Lee, F. Bai, C. Y. Li, S. Z. D. Cheng, R. Petschek 3:30—339. Role of Η-bonds in the formation of chiral LC networks. R. V. Talroze, G. A. Shandryuk, S. A. Kuptsov, M. A. Koval', A. S. Merekalov, N. A. Plate', V. S. Bezborodov, E. M. Terentjev 4:00—340. Mesomorphic properties of sidechain-type polymers having hydrogen bonding group. N. Koide, T. Mihara 4:30—341. Influence of competitive hydro gen bonding between hard and soft seg ments on the properties of siloxane and polyether-based segmented copolymers. I. Yilgor, E. Burgaz, B. Metin, E. Yurtsever, E. Yilgor H Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63) M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94) Teaching Polymers at All Levels: Kindergarten to Graduate School cosponsored with Division of Chemical Education (see page 75)

Hilton Riverside Jasperwood Room, 3rd Floor

11:30—359. Potential impact of controlled radical polymerization on markets for poly meric materials. J. Spanswick, E. A. Branstetter, W. F. Huber Jr.

Section C

M Grafted Polymers: Synthesis and Characterization Synthesis

D. Priddy, Presiding 8:00—Introductory Remarks. 8:05—342. Graft copolymers by atom-transfer radical polymerization. K. Matyjaszewski, K. L. Beers, S. G. Gaynor, S. Coca, H-J. Paik, M. Teodorescu, P. J. Miller 8:30—343. ABC/BCD polymerization: A selfcondensing vinyl and cyclic ester polymer ization by combination free-radical and ring-opening techniques for the prepara tion of novel graft copolymers. J. Hedrick, M. Trollsas, D. Mecerreyes 8:55—344. (Meth)acrylate-based graft copoly mers via cyanoxyl-mediated free-radical polymerization. Y. Gnanou, R. Guerrero, D. Grande 9:20—345. Manipulation of surface proper ties using novel grafted copolymer brush es and surface-initiated polymerization. C. Hawker, J. L. Hedrick, D. Benoit, D. Mecerreyes, I. Rees, M. Husemann, T. P. Russell, E. E. Huang, R. R. Shah, N. L. Abbott 9:45—346. Grafting of vinyl polymers to cel lulose derivatives utilizing Barton ester in termediates and nitroxide mediation. W. H. Daly, T. S. Evenson 10:10—347. Synthesis of model graft copoly mers with regularly spaced trifunctional or tetrafunctional branch points. K. Hong, D. Uhrig, H. latrou, Y. Poulos, N. Hadjichristidis, J. W. Mays 10:35—348. Molecular composites: Inclusion complexes and graft polymerization. M. K. Mishra, D. Das, J. R. Swain, S. Lenka, G. E. Wnek, R. M. Ottenbrite 11:00—349. Miscibility of SCLCPs with dif ferent architectures. C. Pugh, C. Chang, A. M. Kasko 11:25—350. Morphology control in graft poly merization of styrene with polypropylene. C. Q. Song, T. A. Giroux

Section Β Hilton Riverside Belle Chasse Room, 3rd Floor • Controlled Radical Polymerization New Materials by CRP

Y. Gnanou, C. J. Hawker, Presiding 8:20—351. Controlled-radical polymerization of styrene and acrylonitrile. S. J. Brinkmann-Rengel, J. Cao, N. Niessner 8:40—352. Kinetic gelation modeling of poly mer networks formed by a living-radical polymerization. J. H. Ward, N. A. Peppas 9:00—353. Synthesis and properties of poly mer networks prepared by "living" freeradical polymerization and end-linking pro cesses. P. Chaumont, F. Asgarzadeh, P. Ourdouillie, E. Beyou, F. Mechin, M. Dumon 9:30—354. Synthesis of oligomers by stable free-radical polymerization of acrylates, methacrylates, and styrene with alkoxyamin initiators. H. Keul, D. Achten, H. Hoecker 9:50—355. Siloxane/styrene copolymers via nitroxide-mediated radical polymerization. S. K. Pollack, D. U. Singer 10:10—356. Mesogen-jacketed liquid-crys talline polymers via stable free-radical po lymerization. P. Gopalan, S. Pragliola, C. Ober, P. Mather, H. Jeon 10:40—Intermission. 10:50—357. Atom-transfer radical polymer ization of p-acetoxystyrene for the synthe sis of amphiphilic block copolymers. J. Kops, X. Chen, K. Jankova, J. H. Truelsen, W. Batsberg 11:10—358. Star polymers with perfectly al ternating arms from dendritic initiators. R. D. Miller, A. Heise, M. Trollsas, T. Magbitang, J. L. Hedrick, C. W. Frank

Hilton Riverside Oak Alley Room, 3rd Floor w Polymers in Display Applications Cosponsored with Division of Polymeric Materials: Science & Engineering

T. A. Tervoort, C. W. M. Bastiaansen, C. Weder, Organizers K. J. Wynne, M. Schadt, Presiding 8:30—360. Perspective on polymers in dis play applications. K. J. Wynne 9:10—361. New functional polymers for liquid-crystal displays: Review of some re cent developments. D. J. Broer, J. A. M. M van Haaren, P. van de Witte, C. W. M. Bastiaansen 9:50—362. Photoalignment of monomeric and polymeric liquid crystals and devices. M. Schadt 10:15—Intermission. 10:35—363. Electrically switchable mirrors and optical components made from liquidcrystal gels. R. A. M. Hikmet 11:00—364. Liquid-crystalline physical gels: Electro-optic properties and phase behav ior. T. Kato, N. Mizoshita, T. Kutsuna, G. Kondo, K. Hanabusa 11:25—365. Polymer-filled nematics: A new class of light-scattering electro-optical de vices. M. C. W. van Boxtel, D. J. Broer, C. W. M. Bastiaansen 11:50—366. Requirements for novel materi als for photoluminescent LCD technology. I. D. Springle, P. A. Bayley, W. A. Crossland, B. Needham, A. B. Davey

Section D Hilton Riverside Elmwood Room, 3rd Floor Polymer Characterization

R. B. Moore, Organizer 8:30—367. Development of new poly(urethane)s for repair and replacement of the knee joint meniscus. C. J. Spaans, J. H. de Groot, F. G. Dekens, R. P. H. Veth, A. J. Pennings 8:50—368. New substrates for polymer cationization by time-of-flight secondary ion mass spectrometry. R. Michel, R. Luginbuehl, D. Graham, B. D. Ratner 9:10—369. Antibacterial activity of pyridinium-grafted polypropylene nonwoven cloths. G. Li, S. Tan, J. Shen 9:30—370. Surface energies of ladderlike polyepoxysiloxanes. W-Y. Chen, Y. Lin, K. P. Pramoda, K-X. Ma, T. S. Chung 9:50—371. Supramolecular polymers for growth of 1-D ordered thin films under ultrahigh vacuum. C. Cai, M. Boesch, Y. Tao, A. Kuendig, B. Mueller, C. Bosshard, I. Biaggio, P. Guenter, J. Weckesser, J. Barth, L. Buergi, O. Jeandupeux, K. Kern 10:10—372. Fiber-reinforced composites from epoxidized soybean oil. J. O. Staffer, P. P. Lu, L. R. Dharani, R. A. Babcock 10:30—373. Comparative study of the photooxidation of linear low-density polyethyl ene under natural and accelerated weath ering conditions. A. Tidjani 10:50—374. Binary mixed surfaces through silicon-supported tris(trimethylsiloxy)silyl monolayers: Adsorption of poly(styrene) on model mixed surfaces. A. Y. Fadeev, C. M. Stafford, T. P. Russell, T. J. Mc Carthy 11:10—375. Controlled release of 9-chloro2-methylellipticinium acetate from a biode gradable polymer: Release kinetics, in vitro and in vivo effects on cellular growth. E. T. Crumpler, P. Imoukhuede, M. Keawphalouk, J. Landa, R. Langer 11:30—376. Linear and hyperbranched fluo rescent polyphenylquinoxalines by means of AA-BB and AB 2 monomers. J-B. Baek, L. C. Chien M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63)


H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 94)

M Global Salute to Polymers cosponsored with Division of the History of Chemistry (see page 95) Chemistry of Fullerenes and Related Carbon Nanostructures cosponsored with Materials Chemistry Secretariat (see page 64) Teaching Polymers at All Levels: Kindergarten to Graduate School cosponsored with Division of Chemical Education (see page 77)

TUESDAY AFTERNOON Section A

Section C

Hilton Riverside Jasperwood Room, 3rd Floor M Block Copolymers: Designing Molecules for Applications Morphology E. L. Thomas, M. Môeller,

2:30—388. Self-assembly in supercritical flu ids: From dispersion polymerizations to polymeric micelles for separations. J. M. DeSimone 3:00—389. Highly and hyperbranched copoly mers by self-condensing vinyl copolymerization. A. H. E. Mueller, P. F. W. Simon, G. I. Litvinenko 3:30—390. Importance of understanding the mechanism of ATRP for the synthesis of well-defined (co)polymers. K. Matyjas zewski 4:00—Award Presentation. K. P. Ananth 4:05—391. Award Address. Novel materials by atom-transfer radical polymerization. S. G. Gaynor, K. Matyjaszewski

Presiding

1:00—377. Phase diagram, mechanisms, and kinetics of morphological transitions of diblock copolymer aggregates in solution. H. Shen, L. Chen, A. Eisenberg 1:30—378. Molecular weight dependent structural transitions in surface-induced nanopatterns of ultrathin films of poly(styrene)Woc/c-poly(vinylpyridine) on mica. P. Eibeck, J. P. Spate, I. I. Potemkin, Ε. Υ. Kramarenko, A. R. Khokhlov, M. Môeller 2:00—379. Designing polymeric bicontinuous microemulsion. M. W. Matsen, R. B. Thompson 2:30—380. Self-assemblies in block copolymer blends. V. Abetz, T. Goldacker, R. Stadler 3:00—Intermission. 3:15—381. Synthesis and use of multiblock copolymers as interfacial modifiers. M. D. Dadmun 3:45—382. Controlling the morphology of block copolymers via plasticizer selectivity. T. P. Lodge, B. J. Pudil, V. Alahapperuma, K. J. Hanley 4:05—383. Self-assembly of rod-coil block copolymers. S. A. Jenekhe, X. L. Chen 4:25—384. Block copolymer amphiphiles of different architectures investigated using the quartz crystal microbalance technique: In situ investigation of adsorption properties. R. C. Advincula, M-K. Park, A. Baba, F. Kaneko, J. Yang, J. Mays 4:45—385. Anionic synthesis of block copolymers of styrene and propylene oxide and their application as steric stabilizers of dispersion polymerizations. R. P. Quirk, G. M. Lizorraga, J. E. Davis, G. M. Avilés

Section Β Hilton Riverside Belle Chasse Room, 3rd Floor Unilever Award for Outstanding Graduate Research in Polymer Science Honoring Scott Gaynor

K. Matyjaszewski, Organizer W. T. Ford, Presiding 1:30—386. Supramolecular chemistry ap plied to micro- and macromolecular build ing blocks. H. W. Gibson 2:00—387. Effects of structural details of macromolecules on properties of bulk ma terials. T. Pakula

Hilton Riverside Oak Alley Room, 3rd Floor H Polymers in Display Applications Cosponsored with Division of Polymeric Materials: Science & Engineering

T. A. Tervoort, C. W. M. Bastiaansen, Presiding 1:45—392. Molecular and spectroscopic properties of a polarizer based on a block copolymer of vinyl alcohol and acetylene. J. J. Cael, G. Trapani 2:10—393. Polymer films derived from aligned and polymerized reactive liquid crystals. D. Coates, O. Parri, M. Verrall 2:35—394. Highly scattering optical trans mission polymers for bright display. A. Tagaya, Y. Koike 3:00—395. Anisotropic photopolymerization and fluorescence study of discotic materi als. M. M. Sonpatki, T. Sergan, J. R. Kelly, L C. Chien 3:25—Intermission. 3:45—396. Liquid-crystal polymer optics. S. J. Picken 4:10—397. Phase behavior and anisotropic optical properties in photoluminescent po larizers. A. Montai!, A. R. A. Palmans, M. Eglin, C. Weder, P. Smith, W. Trabesinger, A. Renn, B. Hecht, U. P. Wild 4:35—398. Circularly polarized light pro duced with glassy liquid-crystal films. S. H. Chen, D. Katsis, J. C. Mastrangelo, A. Schmid, T. Tsutsui

Section D Hilton Riverside Elmwood Room, 3rd Floor Industrial Sponsors Symposium: Does the Future of Polymer Research and Development Depend on Entrepreneurs?

M. Jaffe, Organizer J. Salamone, Presiding 2:00—Introductory Remarks. 2:10—A. B. Salamone, Enterprise Develop ment Corp. 2:30—M. Schen, NIST. 2:50—B. Gordon III, Polymer Chemistry Innovations Inc. 3:10—E. Kresge, Exxon Chemical (ret.). 3:30—J. M. DeSimone, UNC, CH/NCSU, and Micell Technologies Inc. 3:50—1. Goldwasser, Symyx Inc. 4:10—Panel Discussion. M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63) M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95)

* AGRICULTURAL CHEMISTRY • CATALYSIS • A M • *

CHEMISTRY & COMPUTERS ENVIRONMENTAL ISSUES MATERIALS PETROCHEMICALS PHARMACEUTICALS, MEDICINE & BIOLOGICAL CHEMISTRY

Chemistry of Fullerenes and Related Carbon Nanostructures cosponsored with Materials Chemistry Secretariat (see page 64) Teaching Polymers at All Levels: Kindergarten to Graduate School cosponsored with Division of Chemical Education (see page 77)

TUESDAY EVENING Section A Convention Center Exhibit Hall A Joint POLY/PMSE Poster Session

6:00-8:00 Block Copolymers: Designing Molecules for Applications

S. Gido, Presiding 399. Toward the synthesis of poly(a-methylstyrene-6-isobutylene) copolymers via living cationic sequential block copolymerization. Y. Kwon, X. Cao, R. Faust 400. Supercritical fluid fractionation of polyisobutylene-polystyrene block copoly mers. J. E. Puskas, P. M. Wetmore, V. Krukonis 401. Synthesis of poly(styrene-i)-isobutylene) copolymers by living cationic sequential block copolymerization. R. Faust, X. Cao 402. Synthesis and characterization of am phiphilic poly(isobutylene-sfar-isobutylenesfar-methyl vinyl ether) three-arm starblock copolymers. J. Yun, S. Hadjikyriacou, R. Faust 403. MALDirrOF/MS study of homopolymers and amphiphilic diblock copolymers based on sulfonated polystyrene. J. Yang, W. K. Nonidez, J. W. Mays 404. Synthesis of AB block copolymers by copper-mediated atom-transfer polymer ization utilizing an end-group-modified poly(ethylene/butylene) macroinitiator. C. Waterson, D. M. Haddleton 405. Synthesis and characterization of a selfassembling polypeptide block copolymer. V. P. Conticello, Y. Qu 406. Synthesis of block copolymers by emul sion "living'Vcontrolled radical polymeriza tion of vinyl monomers in sequence. X. L. Wan, S. K. Ying 407. Novel fluorinated block copolymers for the construction of low-energy surfaces. S. K. Ying, Ζ. Β. Zhang, S. R. Wang, Z. Q. Shi 408. Synthesis of block copolymers via trans formation of living free-radical polymeriza tion into living cationic ring-opening poly merization. Y. F. Liu, S. K. Ying, X. L. Wan 409. Controlled radical polymerization of sty rene under the ppm level of concentration of Cu(ll) and rare earth metal heterobinuclear complexes. N. Luo, X. Wang, S. Ying, Y. Shun, X. Zhu 410. Design and synthesis of block copoly mers of isocyanate and styrene by anionic polymerization. J-S. Lee, S. Han, Y-D. Shin, S-Y. Kim 411. Synthesis and characterization of model AB cyclic copolymers. H. latrou, N. Hadjichristidis 412. Block copolymers of styrene and stearyl methacrylate: Synthesis, characteriza tion, and micelle formation in selective sol vents. M. Pitsikalis, N. Hadjichristidis 413. Segmented polyethylene-polyisobutylene copolymers via ADMET chemistry. D. Tindall, K. B. Wagener, K. R. Brzezinska 414. Synthesis and characterization of poly(1,3-cyclohexadiene)-polystyrene block copolymers. K. Hong, J. W. Mays, W. A. Cristofoli 415. Synthesis of polysiloxane-polybutadiene copolymers. L. G. Britcher, R. P. Ma, J. G. Matisons 416. Amphiphilic block copolymers contain ing supramolecular segments. U. S. Schu bert, G. Hochwimmer 417. Designed functionalized block copoly mers with metal-complexing terpyridine units. U. S. Schubert, C. Eschbaumer 418. Novel synthesis of amphiphilic rod-coil diblock copolymers via an orthogonal ap proach. H. Wang, L. Yu 419. Fluorescence-labeled polymers to mon itor polymer-polymer coupling reactions. B. Moon, T. R. Hoye, C. W. Macosko


420. Synthesis of polymethylene block copoly mers by the polyhomologation of organoboranes. K. J. Shea, C. L. Staiger, S. Y. Lee 421. Synthesis of functional triblock copoly mers using stable free-radical polymeriza tion. S. Kanagasabapathy, B. C. Benicewicz 422. Synthesis of well-defined triblock copoly mer by reversible addition-fragmentation chain transfer polymerization in emulsion. S. Kanagasabapathy, J. Claverie, I. Uzulina 423. Microphase separation behavior in diand triblock copolymers: Confirmation of the universality of χ. S-M. Mai, S. Turner, W. Mingvanish, C. Chaibundit, F. Heatley, J. P. A. Fairclough, M. W. Matsen, C. Booth, A. J. Ryan 424. Subphase adsorption of polyelectrolytes to block copolymer amphiphiles at the airwater interface: In situ investigations using the quartz crystal microbalance technique and the Langmuir-Blodgett trough. R. C. Advincula, M-K. Park, J. Yang, J. Mays 425. Morphologies of asymmetric ABC miktoarm star terpolymers. H. Hueckstaedt, V. Abetz, R. Stadler 426. Self-assembly study of a series of nov el amphiphilic rod-coil diblock copolymers. H. Wang, L. Yu, H-H. Wang 427. Surface modification with polystyreneWoc/f-poly(2-vinylpyridine) acid micelles and poly(styrenesulfonate). M. R. Y. Talingting, Y. Ma, C. Simmons, S. E. Webber 428. Use of block copolymers to control the morphologies and properties of thermoset/ thermoplastic blends. J-P. Pascault, E. Girard-Reydet 429. Structure development during copolyurethane formation. A. J. Ryan, W. Li, E. Heeley 430. Melt-spinnable elastic fibers from seg mented copolyetheresteraramides. M. C. E. Niesten, J. Krijgsman, R. J. Gaymans 431. Hydrogenated polystyrene-polybutadiene block copolymers as polyolefin rheology modifiers. T. D. Jones, F. S. Bates, C. W. Macosko 432. Polystyrene-b/oc/c-poly(2-cinnamoylethyl methacrylate) nanofibers. G. Liu, J. Ding, J. T. Gleeson, T. Hashimoto 433. Phase separation of fluorocarbon/hydrocarbon mixtures in the presence of semifluorinated copolymers. P. Lo Nostro, C. Cardelli, S-H. Chen Grafted Polymers: Synthesis and Characterization

D. Priddy, A. Karim, Organizers, Presiding 434. Morphology of model multigraft copoly mers with randomly placed tri- and tetrafunctional branch points. M. Xenidou, F. L. Beyer, N. Hadjichristidis, S. P. Gido, N. B. Tan 435. Microthermomechanical properties of ul trathin polymer films and brushes. Z. Huang, I. Luzinov, D. Julthongpiput, V. Tsukruk 436. Ultrathin, hyperbranched polymer mem branes on porous alumina. M. L. Bruening, M. P. Nagale, B. Y. Kim 437. Liquid chromatographic separation and characterization of polystyrene-graftpolyethyleneoxide copolymers prepared by dispersion copolymerization. D. Berek, S. H. Nguyen, I. Capek, O. Chiantore 438. End-grafted polysilanes on substrate surfaces: Surface-tethered ς-conjugated polymer chains. K. Ebata, K. Furukawa, N. Matsumoto, M. Fujiki 439. Synthesis of tethered diblock copolymer films by sequential carbocationic polymer ization and atom-transfer radical polymer ization. B. Zhao, W. J. Brittain 440. Dense polymeric brushes and graft co polymers by ROMP. Y. Gnanou, V. Héroguez, J-L. Six, D. Grande, M. Fontanille 441. Sm(lll)-mediated graft polymerization of lactones and lactides on poly(p-xylylene)s. A. Greiner, N. Brandukova-Szmikowski, S. Agarwal 442. Synthesis of poly(2-vinylpyridine) and poly(fert-butyl methacrylate) arborescent copolymers: Branched polyelectrolyte precursors. R. A. Kee, M. Gauthier 443. Branching in methyl methacrylate polymerizations incorporating a polymeric chain-transfer agent. J. V. Dawkins, J. H. Houseman, A. T. Slark

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444. Toward supramolecular structured hydrogels and transient networks. S. Tanikawa, J. S. Moore 445. Characterization of high molecular weight water-soluble dendrigrafts. D. Qin, R. Yin, J. Li, D. A. Tomalia, D. Durst, G. Hugnauer 446. Synthesis of degradable ring-opening copolymers. D. Colombani, M. Arotçarena, P. Chaumont, F. Asgarzadeh 447. Use of hydrophobic-hydrophilic graft copolymers in the preparation of novel soft contact lens materials. L. M. Muratore, K. Steinhoff, T. P. Davis 448. Copolymerization of ethylene and functional olefins by metallocene catalyst system. G. J. Jiang, J. M. Hwu 449. Synthesis and characterization of a nov-. el graftable polyethylene glycol macromer for stabilization of colloidal polystyrene particles. J. S. Shay, R. J. English, R. J. Spontak, S. A. Khan 450. Functionalization of poly(acrylic acid) with cyclic imino ethers for biomaterials and coatings applications. S. R. Schricker, B. M. Culbertson, Y. Tong 451. Modification of poly(ethylene glycol)tethered poly(propylene-cc-fumarate) with RGD peptide. S. Jo, A. G. Mikos 452. Telechelically functionalized arms for synthesis of branched polymers by catalytic chain transfer. A. A. Grdinev, S. D. Ittel Optical Polymers: Advances in Optical Fibers and Waveguides

J. Harmon, G. K. Noren, Organizers, Presiding 453. Development of a novel NLO chromophore for polycarbonate synthesis. E. H. Martin, W. J. Brittain 454. Controlled refractive index optical coating materials. P. D. Schuman 455. Polycyanurate-based waveguides with low loss and high thermal stability. J. Bauer, C. Dreyer, M. Bauer, C. Zawadzki, S. Yilmaz, W. Wirges, H. Yao, N. Keil 456. Novel photorefractive polymers sensitized by metalloporphyrin. Q. Wang, L. Wang, L. Yu 457. Optical waveguide actinometer based on a dual cladding configuration. A. E. Hoyt, L. A. Harrah, N. C. Coons, T. M. Powers

Polymers and Liquid Crystals

C. Bowman, T. Long, H-W. Schmidt, Organizers C. Bowman, Presiding 468. Kinetics study on catalyst effect by thinfilm polymerization of liquid-crystalline copolymer. S-X. Cheng, T-S. Chung 469. Triphenylene and pentayne based discrod triple mesogens with intramolecular acceptor functions. D. Janietz, S. Mahlstedt, A. Stracke, J. H. Wendorff 470. Laterally attached SCLCPs designed to exhibit smectic C mesophases. C. Pugh, P.Zhu 471. Polynorbornenes with laterally attached 2,5-bis[(4'-n-alkylthiobenzoyl)oxy]benzyl and 2,5-bis[(4'-n-alkylsulfonylbenzoyl)oxy] benzyl mesogens. C. Pugh, M. J. Thompson, R. J. Mullins, J. H. Hwang 472. Synthesis and properties of side-chain liquid-crystalline polymer with cyanophenylazo mesogen. Z. Bai, Q. Zhang, S. C. J. Tseng, S. C. Tan 473. Synthesis and characterization of a photochemically reactive side-chain liquidcrystalline polymer containing the 4,4'dialkoxystilbene chromophore. A. M. Peeler, S. Mahadevan, D. Creed, C. E. Hoyle 474. Liquid-crystal-induced morphologies in side-chain LC block copolymers. M. Anthamatten, P. T. Hammond 475. Laterally attached SCLCPs with amphiphilic hydrocarbon-oligooxyethylene substituents. C. Pugh, S. M. Malinak, J. B. Rim Controlled-Radical Polymerization

K. Matyjaszewski, Organizer, Presiding

476. Atom-transfer radical polymerization of methyl methacrylate with polyethylenefunctionalized ligands. S. Liou, D. Malaba, W. Brittain, Y. Lee, R. Quirk 477. Use of radical controlled polymerization of butadiene with AIBN and TEMPO for the determination of NMR characteristics of hydroxymethyl groups. J-L. Pradel, B. Ameduri, B. Boutevin, P. LacroixDesmazes 478. Determination of kinetic parameters in atom-transfer radical polymerization. Y-J. Kwark, Β. Μ. Novak Hydrogen-Bonding for Macromolecular 479. Hypervalent iodine iniferters. G. S. Self-Assembly Georgiev, N. V. Tsarevsky, Ε. Β. KamenA. C. Griffin, R. N. DeMartino, ska, L. K. Christov Organizers, Presiding 480. Polystyrene/polyacrylate block copoly mer synthesis using an acyclic β-phosphonylated nitroxide. Y. Gnanou, S. Robin 458. Intralayer hydrogen-bond-directed nano481. Chain transfer to polymer in radical po fiber formation from dicarboxylic valylvalymerizations of mesogenic acrylates. C. line bolaamphiphiles. M. Kogiso, T. HaPugh, Y. Pae nada, K. Yase, T. Shimizu 482. Use of methyl α-bromo methacrylate as 459. Supramolecular daisy chains. J. F. a chain-transfer agent in emulsion poly Stoddart, S. J. Cantrlll, D. J. Williams merization to yield oc-bromo-functionalized 460. Hetero-association in solution of telemacromonomers. S. A. F. Bon, S. R. Morschelic polydimethylsiloxane bearing hydroley, C. Waterson, D. M. Haddleton gen bond donors with small acceptor molecules. L. Bouteiller, S. Abed, S. Boileau 483. Atom-transfer polymerization of methyl methacrylate initiated by carbosilane den 461. Self-assembled polymers with columnar dritic species. N. J. Hovestad, J. T. B. H architecture. E. W. Meijer, J. Η. Κ. Κ Jastrzebski, G. van Koten, S. A. F. Bon, Hirschberg, R. P. Sijbesma C. Waterson, D. M. Haddleton 462. Supramolecular networks with linear and nonlinear associative chain structures. 484. Synthesis and characterization of a K. N. Wiegel, A. C. Griffin methyl methacrylate branched polymer and a methacrylic acid graft copolymer. Y. 463. Formation of supramolecular assem Li, W. J. Brittain blies by complementary association of octadecyloxytartaric acid and bispyridyls. A. 485. Mechanism and kinetics of reversible Singh, S. B. Qadri, Y. Lvov, J-M. Lehn addition-fragmentation chain transferbased controlled-radical polymerization of 464. Superbasic aliphatic polyamidines as styrene. A. Goto, K. Sato, T. Fukuda, G. prospective polymeric carriers for NLOMoad, E. Rizzardo, S. H. Thang active chromophores. F. Boehme, L. Haussier, A. V. Tenkovtsev, A. V. Yaki- I 486. Atom-transfer radical polymerization of mansky polyvinyl ether) macromonomers. M. Mlnoda, K. Yamada, M. Miyazaki, M. Endo, 465. Stoichiometric complexes made of nat K. Ohno, T. Fukuda urally occurring poly(y,D-glutamic acid) 487. Preparation of well-defined polymer and cationic surfactants. G. Pérez-Cabrushes on silicon substrate by the mero, A. Martinez de llarduya, M. Garciasurface-initiated ATRP technique and their Alvarez, S. Murtoz-Guerra characterization. S. Yamamoto, M. Ejaz, 466. Hierarchical self-assembly of doubleK. Ohno, Y. Tsujii, M. Matsumoto, T. helical ropes from nucleobase-appended Fukuda bolaamphiphilic monomers. T. Shimizu, R. Iwaura, M. Masuda 488. Synthesis of nitroxides and alkoxyamines used in controlled/living" radical 467. Hydrogen bonds as the force field of topolymerization. C. Le Mercier, C. pological mechanics and directed organiBernard-Henriet, V. de Sainte Claire, F. Le zation of functional structure of proteins. Moigne, P. Tordo, J-L. Couturier, J-P. Gil0 . Gurel, D. Gurel let, O. Guerret

489. Novel routes to controlled structure water-soluble polymers: Atom-transfer radical polymerization of sodium methac rylate in aqueous media. E. J. Ashford, V. Naldi, R. O'Dell, N. C. Billingham, S. P. Armes 490. Cu-catalyzed ATRP of styrene initiated by vinyl acetate telomere. M. Destarac, B. Boutevin 491. ATRP of methyl methacrylate initiated by polychloroalkanes. M. Destarac, K. Matyjaszewski, B. Boutevin 492. Effect of alkyl chain length on the chain transfer behavior of n-alkyl mercaptans. T. P. Davis, H. M. Kapfenstein, J. P. Heuts 493. Star polymers via atom-transfer radical polymerization from a simple, multifunc tional initiator. D. R. Robello, A. Kraus 494. Controlled polymerization of styrene us ing 5,5"-dimethyl-2,2':6',2"-terpyridine copper(ll) complexes. U. S. Schubert, C. E. Spindler, C. Eschbaumer, O. Nuyken 495. Effect of ligands on atom-transfer radical polymerization in waterborne systems. J. Qiu, D. Shipp, S. Gaynor, K. Matyjaszewski 496. Absorption spectroscopic studies of copper-based atom-transfer radical reac tions. J. Qiu, T. Pintauer, S. Gaynor, K. Matyjaszewski 497. Removal of catalyst in atom-transfer radical polymerization using cross-linked polystyrene ion-exchange resins. K. Maty jaszewski, T. Pintauer, S. Gaynor 498. Synthesis of well-defined star polymers by atom-transfer radical polymerization us ing the core-first approach. P. J. Miller, K. Matyjaszewski, J. Pyun, G. Kickelbick, S. Diamanti 499. Grafting styrene and acrylates from functionalized polyethylene by atomtransfer radical polymerization. P. J. Mil ler, M. Teodorescu, M. L. Peterson, K. Matyjaszewski 500. Atom-transfer radical polymerization of acrylamides and methacrylamides. M. Teodorescu, K. Matyjaszewski 501. Atom-transfer radical polymerization of f-butyl acrylate. K. A. Davis, K. Matyjas zewski 502. Effect of solvents on atom-transfer radi cal polymerization. M. J. Ziegler, H-J. Paik, K. A. Davis, S. G. Gaynor, K. Maty jaszewski 503. Immobilization of the copper catalyst in atom-transfer radical polymerization. H-J. Paik, G. Kickelbick, K. Matyjaszewski 504. Use of difunctional azo initiators in the block copolymerization by combination of conventional and atom-transfer radical po lymerization. H-J. Paik, K. Matyjaszewski 505. Block copolymers of vinyl acetate by atom-transfer radical polymerization using halogen-terminated (macro)initiators. H-J. Paik, M. Teodorescu, J. Xia, M. Destarac, K. Matyjaszewski 506. Atom-transfer radical polymerization of protected methacrylic acids. X. Zhang, J. Xia, K. Matyjaszewski 507. Multidentate nitrogen ligands in atomtransfer radical polymerization. J. Xia, K. Matyjaszewski 508. Homogeneous reverse atom-transfer radical polymerization initiated by benzoyl peroxide. J. Xia, K. Matyjaszewski 509. Poly(n-butyl acrylate) brush macromolecules by ATRP: Determination of contour length from fractionation and AFM studies. K. L. Beers, S. G. Gaynor, K. Matyjasze wski, M. Môeller, S. S. Sheiko, S. A. Prokhorova 510. Waterborne block copolymer synthesis and a simple and effective one-pot synthesis of acrylate-methacrylate block copolymers by atom-transfer radical polymerization. D. A. Shipp, G. P. McMurtry, S. G. Gaynor, J. Qiu, K. Matyjaszewski 511. Simulations of atom-transfer, nitroxidemediated and reversible addition-fragmentation chain transfer radical polymerizations. D. A. Shipp, K. Matyjaszewski


1 3 4 JULY 26, 1999 C&EN

512. Synthesis of multifunctional star and hyperbranched polymers using atom-transfer radical polymerization and atom-transfer radical addition. J. Pyun, X. Zhang, S. G. Gaynor, K. Matyjaszewski 513. Synthesis of organic/inorganic hybrid materials from polysiloxane precursors using atom-transfer radical polymerization. J. Pyun, P. J. Miller, K. Matyjaszewski, G. Kickelbick, J. Schwab, J. D. Lichtenhan 514. Preparation of macrodiols by atomtransfer radical polymerization. A. K. Shim, V. Coessens, T. Pintauer, K. Matyjaszewski 515. Atom-transfer radical copolymerization of methyl methacrylate and η-butyl acryl ate. K. Matyjaszewski, S. V. Arehart 516. Controlling the degree of branching in ATRP of hyperbranched polyacrylates. J. Y. Jho, S. Η. Υοο, Τ. Η. Yoon 517. Chirality induction in atom-transfer radi cal cyclopolymerization of (2S,4fl)-pentanediyl bis(4-vinylbenzoate) using chiral diamine. M. Tsujl, M. Obata, K. Yokota, T. Kakuchi 518. Reversible activation of carbon-halogen bonds in transition-metal-catalyzed livingradical polymerization. T. Ando, M. Kamigaito, M. Sawamoto 519. Synthesis of highly branched polyethyl ene graft copolymers by combination of palladium diazadiene-catalyzed and TEMPO-mediated polymerization. R. Muelhaupt, M. Baumert, J. Heinemann, R. Thomann 520. Transition-metal-mediated living-radical polymerization of styrene: Design of initiat ing systems. Y. Kotani, M. Kamigaito, M. Sawamoto 521. Living-radical polymerization of styrene with transition-metal dithiocarbamate/ AIBN systems: Halogen-free living pro cesses. M. Nishimura, M. Kamigaito, M. Sawamoto 522. Synthesis of star-shaped polymers with divinyl compounds by metal-catalyzed living-radical polymerization. K-Y. Baek, M. Kamigaito, M. Sawamoto 523. C 60 end-capped polystyrene. A. L. Lary, W. T. Ford, Τ. Η. Mourey 524. Alternating copolymerizaion of /V-phenyl maleimide and styrene. X. Hao, K. Fujimori 525. Telechelic acrylic polymers using de generative iodine transfer polymerization. R. D. Puts, P. P. Nicholas, J. E. Milam, D. L. Miller, E. Elce, J. Lee, N. Pourahmady Polymers in Display Applications Cosponsored with Division of Polymeric Materials: Science & Engineering

C. Weder, T. A. Tervoort, C. W. M. Bastiaansen, Organizers, Presiding 526. Dielectric constant of a polymer-filled nematic composite material: A numerical study. R. H. C. Janssen, A. A. Gusev, T. A. Tervoort, C. W. M. Bastiaansen 527. Selective plasticization in electrolumi nescent block copolymers. Ε. Ε. Guerel, S. T. Pasco, F. E. Karasz 528. Novel triarylamine polymers as hole transport materials in OLEDs. M. Thelakkat, C. Schmitz, H-W. Schmidt 529. Efficient, blue light-emitting diodes using cross-linked polymer multilayers. J. Chen, G. Klaerner, J. I. Lee, D. Markiewicz, V. Y. Lee, R. D. Miller, J. C. Scott 530. Application of new poly(malonic ester) with two symmetrical photoresponsive groups to erasable optical data-storage media. Y-K. Han, H-S. Na 531. Effect of π-stacking on light absorption and emission in conjugated oligomers. M. D. Curtis, A. B. Koren, J. Kampf 532. Preparation and properties of lumines cent metal-complex-containing conjugated and nonconjugated polymers. J. Kim, Y-G. Kim, K. G. Chittibabu, M. J. Cazeca, D-Y. Kim, J. Kumar, S. K. Tripathy 533. Design and synthesis of light-emitting conjugated polymers functionalized with transition-metal complexes. W. K. Chan, P. K. Ng, C. T. Wong, S. Hou 534. Combined p- and η-type doping in alter nating BEDOT-pyridine conjugated poly mers. C. J. DuBois Jr., D. J. Irvin, J. R. Reynolds 535. Synthesis of novel soluble polyimides based on alkyldiaminobenzophenones and their applications for the alignment films of LCDs. Y. Tsuda

536. Photogeneration of inclined homeotropic liquid-crystal alignment by azobenzene-containing polymer thin films. S. Furuml, M. Nakagawa, S-Y. Morino, K. Ichimura 537. Synthesis of new thianthrene-containing polymers and aromatic poly(oxadiazoles) and their application in OLEDS. S. Janietz, A. Wedel, R. Friedrich, S. Anlauf 538. Relationship of dynamical and photo chemical behavior of photochromic poly mers. A. Fritz, A. Schoenhals, B. Sapich, M. Rutloh, J. Stumpe 539. High-performance photosensitive poly mers in thin films and their abilities to align liquid crystals on the surface. M. Ree, S. I. Kim, S. W. Lee 540. Electroluminescence of a series of η-type conjugated polyquinolines. X. Zhang, S. A. Jenekhe 541. Syntheses and luminescence properties of new fluorescent dyes and polymers. J. Kim, Y-G. Kim, K. G. Chittibabu, M. J. Cazeca, D-Y. Kim, J. Kumar, S. K. Tripathy 542. Light-emitting copolymer with an elec tron transporting unit. C. Y. Kim, J. K. Kim, J. W. Yu, J. M. Hong, H. N. Cho, D. Y. Kim 543. Polarized electroluminescence from liquid-crystalline poly(p-phenylene vinylene) derivatives. X. L. Chen, Z. Bao, A. J. Lovinger, M. Meier, A. Dodabalapur, K. R. Amundson, R. Jakubiak, L. J. Rothberg 544. Poly(9,9-dialkylfluorene) derivatives forming highly oriented films. H-G. Nothofer, T. Miteva, A. Meisel, D. Neher, U. Scherf, D. Lupo, A. Yasuda, W. Knoll 545. Syntheses and optical properties of nov el highly photoluminescent poly(p-phenylene vinylene)s. Z. Peng, J. Zhang, B. Xu 546. Blue light-emitting devices based on vacuum-deposited poly(p-phenylene). C. Seoul, W-J. Song 547. High-contrast electrochromic materials based on poly(3,4-propylenedioxythiophene) derivatives. D. M. Welsh, L. J. Kloeppner, J. R. Reynolds, A. Kumar, E. W. Meijer 548. Tuning the emission wavelength of a series of conjugated polyelectrolytes. M. B. Ramey, J. R. Reynolds 549. Synthesis and Langmuir monolayer properties of functional diamine amphiphiles: Materials for ultrathin films in dis play applications. R. Advincula, M-K. Park, S. Inaoka, M. Kidowaki, K. Ichimura 550. New EDOT-based discrete oligomers: A route to low band gap chromophores. P. Schottland, J. R. Reynolds 551. Effect of different precursor routes on the electronic properties of poly[2-(2'-ethylhexyloxy)-1,4-phenylenevinylene] and poly[2-(2'-ethylhexyloxy)-5-(phenylethynyl)1,4-phenylenevinylene]. S-C. Lo, A. K. Sheridan, I. D. W. Samuel, P. L. Burn 552. OLED based on poly(p-phenylene vinylene)/tris(8-hydroxy)quinoline alumi num heterostructure. J. Yang, H. Hong, M. E. Thompson 553. Chromophore-labeled dendrimers for use in single-layer light-emitting diodes. A. Freeman, J. M. J. Fréchet, S. C. Koene, M. E. Thompson 554. Photorefractive properties of molecules containing oligothiophenes and a nonlinear optical chromophore: The influence of conjugation length. L. Wang, M-K. Ng, H. Saadeh, L. Yu

* AGRICULTURAL CHEMISTRY • CATALYSIS •

CHEMISTRY à COMPUTERS

•

ENVIRONMENTAL ISSUES M MATERIALS • PETROCHEMICALS *


555. Novel bright blue electroluminescent polymer: Poly[4,4'-biphenylene-a-(9",9"dihexyl-3-fluorenyl)vinylene]. S-K. Kwon, Y-H. Kim, B-K. Ahn, D-C. Shin, H-S. Yu, W-H. Kim 556. Synthesis and luminescent properties of poly(terphenylene α-cyanovinylene) deriv ative. S-K. Kwon, Y-H. Kim, D-C. Shin, J-H. Ahn, H-S. Yu, S-K. Kang 557. Microcontact printing approaches to or ganic light-emitting diode pixels. Q. Wang, W. Li, J. Cui, T. J. Marks, G. J. Jabbour, B. Kippelen, N. Peyghambarian WEDNESDAY MORNING Section A Hilton Riverside Jasperwood Room, 3rd Floor M Grafted Polymers: Synthesis and Characterization Characterization

A. Karim, Presiding 8:00—Introductory Remarks. 8:05—558. Controlled interfacial interaction using grafted random copolymers. T. P. Russell, E. Huang, M. Husseman, E. E. Malmstrom, C. J. Hawker 8:30—559. Characterization of amphiphilic arborescent graft polymers at the air/water interface. M. Gauthier, L. Cao, M. Rafailovich, J. Sokolov 8:55—560. Polymer brushes and mush rooms in polymeric matrices. S. H. Anastasiadis, H. Retsos, K. Kunz, C. Toprakcioglu, G. Smith, G. Hadziioannou, M. Stamm 9:20—561. Grafting polymer brushes from melt: Polystyrene layers tethered to epoxysilane self-assembling monolayers. V. V. Tsukruk, I. Luzinov, D. Julthongpiput, H. Malz, J. Piontek 9:45—562. Model study of tethered chains using Langmuir monolayers of diblock co polymers. M. S. Kent, J. Majewski, L. T. Lee, S. Satija 10:10—563. Rheology and structure of poly mer layered-silicate nanocomposites. R. Krishnamoorti 10:35—564. Monitoring the formation of grafted layers on solid surfaces. L. Penn, T. F. Hunter, Y. J. Lee, R. P. Quirk 11:00—565. Formation of end-tethered brushes from polydisperse end-functional polymers. J. T. Koberstein, C. Laub 11:25—566. Well-defined graft copolymers at the air-water interface. A. F. Miller, R. W. Richards, J. R. P. Webster

Section Β Hilton Riverside Belle Chasse Room, 3rd Floor M Polymers and Liquid Crystals Molecular Transport in Liquid Crystals

C. Bowman, T. Long, H-W. Schmidt, Organizers C. Bowman, Presiding 8:30—567. Solubility, diffusivity, and perme ability of small molecules in liquid-crys talline polymers. B. D. Freeman, C. Noel, A. J. Hill 9:10—568. Molecular design considerations in the synthesis of high-conductivity PEMs for fuel cells. M. H. Litt, Y. Zhang, R. F. Savinell, J. S. Wainright 9:35—569. Balancing liquid crystallinity with microphase separation in block copoly mers. C. K. Ober, M. Li, C. Chao, X. Li 10:15—570. Toward 10-nm-diameter discotic liquid-crystalline dendrimers. K. L. Wooley, C. G. Clark Jr. 10:40—571. Synthesis and properties of a new self-assembling discotic liquid crystal. H. Wang, Z. Shen, J. J. Ge, S. Z. D. Cheng, F. W. Harris 11:05—572. Synthesis and characterization of sugar-coated discotic liquid crystals. J. F. Stoddart, N. Jayaraman, J. Barbera, A. C. Garces, A. Omenat, J-L. Serrano 11:30—573. Thermotropism of cationic tailend polysoaps and analogous polysoapsurfactant complexes in the solid state. C. G. Bazuin, P. Y. Vuillaume

Section C Hilton Riverside Oak Alley Room, 3rd Floor


M Polymers in Display Applications Cosponsored with Division of Polymeric Materials: Science & Engineering

C. Weder, A. B. Holmes, Presiding 8:30—574. Polymer light-emitting displays. A. J. Heeger 9:10—575. Copolymer route to conjugated materials for LEDs. A. B. Holmes, B. S. Chuah, F. Geneste, R. E. Martin, H. Rost, F. Cacialli, R. H. Friend, H. H. Hoerhold, S. Pfeiffer, D. H. Hwang 9:35—576. Synthesis of cyano derivatives of poly[2,5-bis(A/-methyl-/V-alkylamino)phenylene vinylene]s for use as potential blue light-emitting diodes. P. Zarras, J. D. Stenger-Smith, G. S. Ostrom, L. H. Merwin, C. K. Webber 10:00—Intermission. 10:20—577. Polymer solution light-emitting devices. Y. Yang, S-C. Chang 10:45—578. Material issues for construction of organic and polymeric driving circuits for display and electronic applications. Z. Bao, A. Dodabalapur, Y. Y. Lin, J. Rogers, A. Lovinger, L. Chen, V. R. Raju, H. Katz, W.Li 11:10—579. Combinatorial methods for opti mization of materials selection and device parameters in OLEDs. C. Schmitz, P. Poesch, M. Thelakkat, H-W. Schmidt 11:35—580. Solid-state spectroscopy of poly-5,5'-(4,4'-dinonyl,2,2'-bithiazole): From oligomers to polymer. W. M. Blanda, A. H. Francis, M. D. Curtis Section D Hilton Riverside Elmwood Room, 3rd Floor M Optical Polymers: Advances in Optical Fibers and Waveguides

J. Harmon, G. K. Noren, Organizers G. K. Noren, Presiding 8:30—581. Tutorial on optical polymers for fibers and waveguides. J. P. Harmon 9:10—582. Technology integration for sensor development. L. H. Garcia-Rubio 9:50—583. Development of a fiber-optic pH sensor for on-line control. L. H. Garcia-Ru bio, M. L Janowiak, H. Huang, S. Chang 10:20—Intermission. 10:30—584. Fiber-optic-based sensing of ox ygen using Mo6CI12 PTMSP composites. G. L. Baker, C. J. Ruud, R. N. Ghosh 11:00—585. Dual cladding configuration for the fabrication of fiber-optic sensors. A. E. Hoyt, L. A. Harrah, N. C. Coons, T. M. Powers 11:30—586. Development of new spectroelectrochemical waveguide sensors. S. E. Ross, C. J. Seliskar, W. R. Heineman H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) Chemistry of Fullerenes and Related Carbon Nanostructures cosponsored with Materials Chemistry Secretariat (see page 64)

Hilton Riverside Jasperwood Room, 3rd Floor Block Copolymers: Designing Molecules for Applications Rheology/Processing

G. Fytas, T. P. Lodge, Presiding 1:30—587. Nonlinear rheology of diblock co polymer micelles. H. Watanabe 2:00—588. Synthesis and self-assembly of fluorinated polystyrene-polyisoprene block copolymers. M. A. Hillmyer, Y. Ren, T. P. Lodge 2:30—589. Scaling law for the liquid-to-softsolid transition kinetics in a block copolymer melt. N. P. Balsara, W. Kim, J. Lee, M. Chang, B. Garetz, M. Newstein, S. Patel 3:00—Intermission. 3:15—590. Creating block copolymers via melt coupling reactions. C. A. Orr, F. S. Bates, C. W. Macosko 3:45—591. Adsorption of hydrophobically modified polyelectrolytes from dilute aque ous solution at the solid/liquid interface. R. G. Toomey, P. A. Schorr, M. V. Tirrell, F. S. Bates, Y. Wang, R. Advincula, J. W. Mays 4:15—592. Thermoplastic elastomers from segmented copolyetheresteramides with self-assembling aramid segments. M. C. E. Nlesten, R. J. Gaymans, A. Ten Brinke 4:35—593. Order-to-order transitions in poly(isoprene-ethylene oxide) diblock co polymers. G. Floudas, R. Ulrich, U. Wiesner, B. Chu 4:55—594. Processing and properties of thin block copolymer films. C. Salou, J. P. A. Fairclough, A. J. Ryan 5:15—595. Competitive roles of block copoly mer during polymer blending: Suppression of coalescence and reduction of interfacial tension. S. Lyu, F. S. Bates, C. W. Macos ko

Section Β Hilton Riverside Belle Chasse Room, 3rd Floor M Polymers and Liquid Crystals Liquid-Crystalline Polymers and Modeling

C. Bowman, Presiding 2:00—596. Nematic solutions of large molec ular weight side-group liquid-crystal poly mers. J. A. Kornfield 2:40—597. Photochemistry of a side-chain liquid-crystalline polymer with a chiral tail. S. N. Shah, C. E. Hoyle, D. Creed 3:05—598. Thermal behaviors and electro chemical properties of side-chain-type polythiophenes. N. Koide, Y. Hirai 3:30—Intermission. 3:45—599. Magnetic field orientation of liquid-crystalline thermosets: Orientation kinetics. E. P. Douglas 4:10—600. Orientational flipping and flow alignment of a model thermotropic liquidcrystalline polymer. J. A. Kornfield, W. Zhou, V. M. Ugaz, W. R. Burghardt 4:35—601. Molecular dynamics of liquidcrystalline copolymethacrylates containing cholesterol as mesogenic groups. A. Schoenhals, D. Wolff, S. Weidner, J. Springer

Section C Hilton Riverside Oak Alley Room, 3rd Floor M Polymers in Display Applications Cosponsored with Division of Polymeric Materials: Science & Engineering

C. Weder, T. A. Tervoort, C. W. M. Bastiaansen, Organizers F. Wudl, J. R. Reynolds, Presiding


1:45—602. New deep blue and white light OLED materials. F. Wudl, Y. Cheng, B. Ma 2:10—603. Emission of polarized light from liquid-crystalline segmented poly(arylenevinylene)s. A. Greiner, J. Oberski, K-U. Clauswitz, G. Luessem, F. Geffarth, J. Wendorff

JULY 26, 1999 C&EN 1 3 5

POLY/PMSE/TECHNICAL PROGRAM

2:35—604. Design of polymers for use in light-emitting diodes. M. Galvin, Z. Peng, Z. Niazimbetova, A. Menon, S. Vaidyanathan 3:00—605. Development of novel polymers for single-layer light-emitting diodes. Z. Peng, B. Xu 3:25—Intermission. 3:45—606. Building the toolbox of electronrich electrochromic and conducting poly mers. J. R. Reynolds, J. Brzezinski, C. J. DuBois, I. Giurgiu, L. Kloeppner, M. B. Ramey, P. Schottland, C. A. Thomas, B. M. Tsuie, D. M. Welsh, K. Zong 4:10—607. Tunable multicolor electrolumi nescent polymer devices for full-color dis plays. S. A. Jenekhe, X. Zhang 4:35—608. Approaches to organic lightemitters via layer-by-layer self-assembly. T. J. Marks, J. Cui, J. E. Malinsky, Q. Wang, G. E. Jabbour, S. E. Shaheen, J. D. Anderson, P. A. Lee, A. G. Richter, B. Kippelen, P. Dutta, N. Peyghambarian, N. R. Armstrong

Section D Hilton Riverside Elmwood Room, 3rd Floor H Optical Polymers: Advances in Optical Fibers and Waveguides

J. Harmon, Presiding 1:30—609. Fluorinated methacrylic and vinylic polymer blends: Miscibility conditions and applications as POF cladding materi als. S. Pimbert, L. Avignon-Poquillon, G. Levesque 2:00—610. Transparent fluorocarbon poly mer blends for fiber cladding applications. M. C. Calves, J. P. Harmon 2:30—611. Permanent protective coatings for optical fibers. C. B. Walker Jr., J. C. Novack, T. P. Berger 3:00—612. UV-curable acrylated oligomers: Model characterization studies. A. J. Tortorello 3:30—613. Use of hydroxy functional fluoropolymer resins in free-radical UV-curable coatings. G. K. Noren 4:00—614. Hard polymer cladding: Nearing two decades of performance. B. J. Skutnik H Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) M Polymeric Surfactants cosponsored with Division of Polymeric Materials: Science & Engineering (see page 140) Chemistry of Fullerenes and Related Carbon Nanostructures cosponsored with Materials Chemistry Secretariat (see page 64) THURSDAY MORNING Section A Hilton Riverside Jasperwood Room, 3rd Floor M Grafted Polymers: Synthesis and Characterization Synthesis

D. Priddy, A. Karim, Presiding 8:00—Introductory Remarks. 8:05—615. Morphology development during graft copolymerization on porous polypro pylene spheres. T. A. Giroux, C. Q. Song 8:25—616. Effect of solvent on the course of acrylate polymerizations mediated by cobaloxime and the development of novel initiating systems and novel multifunction al macromonomers. A. K. Shim, H. J. Harwood 8:45—617. Charge-transfer complexes in grafting and curing processes initiated by ionizing and UV radiation. J. L. Garnett, L-T. Ng, V. Viengkhou, I. W. Hennessy, E. F. Zilic 9:05—618. Cerium(IV)-mediated grafting of acrylic monomers onto hydroxyethyl cellu lose. E. M. Parlai n 9:25—619. Synthesis of perfect graft-copolyethers by ionic and ADMET mecha nisms. P. M. O'Donnell, K. Brzezinska, K. B. Wagener 9:45—620. 2-D chromatographic analysis of graft copolymers obtained by copolymer ization of macromonomers via convention al, controlled-radical, and anionic polymer izations. Α. Η. Ε. Mueller, S. G. Roos, B. Schmitt

1 3 6 JULY 26, 1999 C&EN

10:05—621. Liquid chromatographic separa tion of copolymers. D. Berek 10:25—622. Characterization of combshaped polymers using GPC-multidetection methods. W. Radke, Α. Η. Ε. Mueller 10:45—623. Graft copolymers containing sil icone and vinyl polymer segments by freeradical polymerization. D. Graiver, G. T. Decker, A. J. Tselepis, F. J. Hamilton Sr., H. J. Harwood 11:05—624. Direct synthesis of polymer brushes. T. A. P. Seery, P. Dhar, D. L. Huber, F. Vatansever

Section Β Hilton Riverside Belle Chasse Room, 3rd Floor Ν Polymers and Liquid Crystals Polymerization in and of Liquid Crystals

A. Guymon, Presiding 8:30—625. Design of liquid-crystal mono mers for the cross-linking of high curvature lyotropic mesophases. D. L. Gin, D. H. Gray, M. A. Reppy, R. C. Smith, J. A. Gruneich 9:10—626. Phase behavior and polymeriza tion kinetics of a semifluorinated lyotropic liquid crystal. C. L. Lester, C. A. Guymon 9:35—627. Polymerization kinetics of (meth)acrylates in self-assembled struc tures. B. J. Elliott, C. N. Bowman 10:00—628. New class of modular polymerizable lyotropic liquid crystals for the prep aration of nanostructured materials. M. A. Reppy, D. H. Gray, D. L. Gin 10:25—Intermission. 10:40—629. Overlap of mesophase and mor phology in liquid-crystalline diblock copoly mers. M. Anthamatten, P. T. Hammond 11:05—630. Physical properties of mainchain rigid-rod epoxy resins. W-F. A. Su, Κ. C. Chen, S. Y. Tseng 11:30—631. Isothermal degradation of a novel liquid-crystalline thermoset. Ε. Ρ. Douglas, T. Bervaldi, A. J. Gavrin

Section C Hilton Riverside Oak Alley Room, 3rd Floor H Optical Polymers: Advances in Optical Fibers and Waveguides

M. C. Calves, Presiding 8:30—632. Plastic optical fibers: Pipe dream or reality? X. Quan 9:15—633. Theoretical analysis of the η-layer coextrusion process for preparing gradient-index polymer optical fibers. W-C. Chen, Y. Chang, J-P. Hsu 9:45—634. Wavelength-tunable fiber grat ings. A. Hale, A. A. Abramov, R. S. Windeler, T. A. Strasser 10:15—635. Microporous silica: The all-new silica optical fibers. B. J. Skutnik 10:45—636. Fluorescent optical fibers for data transmission. H. Poisel, V. M. Levin, K. F. Klein 11:15—637. UV-transparent coatings for the fabrication of optical fiber gratings. D. A. Simoff, R. P. Espindola, M. A. Paczkowski, R. M. Atkins, N. P. Wang, A. Hale M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) M Polymeric Surfactants cosponsored with Division of Polymeric Materials: Science & Engineering (see page 140)

THURSDAY AFTERNOON Section A Hilton Riverside Jasperwood Room, 3rd Floor Block Copolymers: Designing Molecules for Applications Scattering

2:30—640. Equilibrium chain folding in semicrystalline block copolymers in the bulk and in thin films. J. P. A. Fairclough, S. Mai, S. Turner, I. W. Hamley, K. Viras, N. J. Terrill, C. Booth, A. J. Ryan 3:00—Intermission. 3:15—641. Identification of relaxation processes in the dynamic structure factor of diblock copolymers: Far from the ordering transition. G. Fytas, R. Sigel, S. Pispas, D. Vlassopoulos, N. Hadjichristidis 3:45—642. Functionalized block copolymers: Synthesis, structure, and dynamics. G. Floudas, S. Pispas, N. Hadjichristidis 4:05—643. Synthesis and characterization of macrophotoinitiators and block copolymers derived from bisacylphosphine oxides. F. J. Wyzgoski, H. Meng, P. L. Rinaldi, H. J. Harwood 4:25—644. Synthesis and solution properties of fluorine-containing block copolymers. Z. B. Zhang, S. K. Ying, Q. H. Hu, Z. Q. Shi 4:45—645. Synthesis of block copolymer through the combination of living anionic polymerization and controlled-radical polymerization. F. Liu, S. K. Ying, N. Luo, B. Liu, Q. Liu 5:05—646. Low molecular weight polyisobutylene based diblock copolymers: Synthesis and thermodynamic characterization. F. Duchemin, M. F. Tse, H. C. Wang, R. Krishnamoorti

Section Β Hilton Riverside Belle Chasse Room, 3rd Floor

M Applications of NMR to Complex Systems cosponsored with Division of Geochemistry (see page 95) M Polymeric Surfactants cosponsored with Division of Polymeric Materials: Science & Engineering (see page 141)

PMSE DIVISION OF POLYMERIC MATERIALS: SCIENCE & ENGINEERING P. Cebe, Program Chair

H Polymers and Liquid Crystals Polymer-Dispersed Liquid Crystals

T. Long, Presiding

OTHER SYMPOSIUM OF INTEREST:

2:00—647. Growth dynamics of reflective PDLC gratings. T. J. Bunning, R. T. Pogue, L. V. Natarajan, V. P. Tondiglia, R. L. Sutherland 2:40—648. Kinetics of formation and electrooptic properties of polymer dispersed liq uid crystal networks made from maleimide/vinyl ethers. C. E. Hoyle, M. Hladik, J. B. Whitehead, W. Kuang 3:05—649. Fluorinated polymer dispersed liquid crystals: Electro-optical and morpho logical properties. M. D. Schulte, S. J. Clarson, L. V. Natarajan, T. J. Bunning 3:30—Intermission. 3:45—650. Characterization of binary eutectic liquid-crystalline mixtures. N. L. Gill, J. B. Whitehead Jr., N. Woullard 4:10—651. Smectic layering in nematic liquid crystals due to immiscible hydrocarbonfluorocarbon segments. A. C. Small, D. K. Hunt, C. Pugh 4:35—652. Phase segregation in polysty rene/liquid-crystalline siloxane block co polymers. A. J. Moment, P. T. Hammond

Optical Polymers: Advances tn Optical Fibers and Waveguides (see Division of Pofym&r Chemistry, Wed, Thu, page 135)

Section C Hilton Riverside Oak Alley Room, 3rd Floor M Optical Polymers: Advances in Optical Fibers and Waveguides

G. K. Noren, Presiding 1:30—653. Synthesis and characterization of high refractive index optically clear poly(arylene ether) phenylphosphineoxide homo- and copolymers. J. E. McGrath, S. J. Mecham, M. Hickner, S. Wang, H. B. Shobha, Y. Oishi, M. Sankarapandian 2:00—654. Perfluorocyclobutane polymers for optical fibers and dielectric wave guides. H. Shah, A. Hoeglund, D. W. Smith, M. Radier, C. Langhoff 2:30—655. NLO-containing polymers with very low near-IR absorption. K. D. Belfield, G. I. Stegeman, O. Najjar, K. J. Schafer, J. Meier, T. Pliska 3:00—656. Main-chain imide-containing high7g polymers. G. Levesque, D. Jouannet, T. N. Pham, M. N. Busnot

A. Semenov, N. P. Balsara, Presiding 1:30—638. Charged stars formed by associ ation of charged-neutral block copolymers. P. M. Guenoun, F. Muller, P. Fontaine, M. Delsanti, L. Auvray, Y. Chen, J. Yang, J. W. Mays, M. Tirrell, B. Demé, P. Lesieur 2:00—639. Structure and mechanical properties of triblock copolymers subject to extensional deformation. I. W. Hamley, C. Daniel, K. Mortensen

3:30—657. Design and synthesis of novel conjugated chiral materials for nonlinear optics. L-C. Chien, S. Wang, K. D. Singer, R. Petschek, S. P. Huang 4:00—658. Optimizing performance of photocured adhesives in optical fiber compo nents. W. V. Dower, J. D. Oxman 4:30—659. Synthesis and properties of opti cally active polyurethane ionomers con taining erbium. Q. Gu, W. M. Risen Jr.


SOCIAL EVENTS: Speaker's Breakfast, Sun, Mon, Tue,

Wed Tees Award Reception, Mon Poster Session/Social Hour, Tue BUSINESS MEETING: Wed

SUNDAY MORNING Section A Hilton Riverside Rosedown Room, 3rd Floor H Polymers for Micro- and Nanopatterning Science and Technology Emerging Frontiers

E. Reichmanis, O. Nalamasu, D. C. Hofer, S. Tagawa, Organizers E. Reichmanis, Presiding 8:30—1. Plenary Lecture. Biomolecular templates for micro- and nanoscale pat terning. D. A. Tirrell 9:20—2. Engineering the microenvironment of crystals nucleation and growth using micropatterned polymers. J. Aizenberg, A. J. Black, G. M. Whitesides 9:50—3. Templated crystallization in block copolymers: Lessons from nature. J. P. A. Fairclough, A. J. Ryan, W. Bras, L. Messe, S. Mai, C. Booth, Y. Nishimura, M. Matsen, S. Turner 10:10—4. Surface analysis of polymeric sub strates: Effects of microlithographic and cell culture processes. Y. Travaly, K. Schmalenberg, R. Parikh, H. Buettner, K. E. Uhrich 10:30—5. Giant unilamellar vesicles as tem plates for nanostructures. J. G. Linhardt, H. K. Bowman, K. S. Thigpen, E. Evans, D. A. Tirrell 10:50—6. Hollow nanospheres and nanotubes from block copolymers. G. Liu, S. Stewart 11:10—7. Nanolithography with a block co polymer mask: Fabrication of a dense metal dot array. M. Park, D. H. Adamson, P. M. Chaikin, R. A. Register 11:40—8. Organometallic nanodomains from block copolymers for lithographic applica tions. R. G. H. Lammertink, M. A. Hempenius, G. J. Vancso, V. Z. H. Chan, E. L. Thomas

Section B

SUNDAY AFTERNOON

Hilton Riverside Melrose Room, 3rd Floor

Section A

General Papers/New Concepts in Polymeric Materials Relaxation Processes, Spin Probes

P. Cebe, Organizer, Presiding 9:00—9. Thermal depolymerization of poly(α-methyl styrene) in submicron films. F. Rodriguez 9:20—10. Use of self-assembling monolay ers to control interface strength in a mod el study of interfacial fracture. M. S. Kent, H. Yim, A. Matheson, C. Cogdill, E. D. Reedy 9:40—11. Relaxation processes in polymer networks by dynamic light scattering and dielectric spectroscopy during reaction. B. D. Fitz, J. Mijovic 10:00—12. Hydrolytic stability of silicone hy drogels. Y-C. Lai, E. T. Quinn 10:20—Intermission. 10:35—13. Morphological, structural, and conformational changes in polymer sys tems probed by in situ techniques. J. G. P. Goossens, S. Rastogi, P. Lemstra, H. Meijer 10:55—14. Dynamics of self-release poly meric derivatives. A. K. Rizos, A. M. Tsatsakis, M. I. Shtilman, D. C. Doetschman 11:15—15. Spin probe dynamics in amor phous polymers. M. I. Chipara 11:35—16. On an extended WLF equation. M. I. Chipara

Section C Hilton Riverside Magnolia Room, 3rd Floor Film Formation Mechanism, Process, Characterization

T. Provder, M. W. Urban, Organizers T. Provder, Presiding 9:00—17. Confocal laser scanning microsco py and environmental SEM applied to mat ting water-based lacquers. C. P. Royall, A. M. Donald 9:30—18. Film formation in polymer latex blends: Microspectroscopic 3-D studies. Y. Zhao, M. W. Urban 10:00—19. Molecular weight effects on film formation of latex and surfactant morphol ogy. A. Tzitzinou, J. L. Keddie, C. Jeynes, P. Zhdan, J. Geurts, M. Mulder, R. Satguru, Κ. Ε. Treacher 10:30—20. Capillary forces and stress devel opment in drying latex coating. L. Pekurovsky, L. E. Scriven 11:00—21. Modeling the dynamic behavior of films containing solid particles and bina ry polymeric mixtures. V. V. Ginzburg, G. Peng, F. Qiu, M. Paniconi, J. Jasnow, A. C. Balazs

Hilton Riverside Rosedown Room, 3rd Floor H Polymers for Micro- and Nanopatterning Science and Technology Novel Concepts in Nanopatterning

O. Nalamasu, Presiding 1:00—22. Photolithographic deposition of nanostructured materials. J. P. BravoVasquez, R. H. Hill 1:30—23. Vitrified condensation pattern in thin polymer films: New approach for micropatterning. A. Mourran, S. S. Sheiko, M. Môller 2:00—24. Tuning intermolecular interactions for the formation of complex polymeric microstructures on surfaces. X. P. Jiang, S. L. Clark, P. T. Hammond 2:30—25. Nanolithography with flexible molds and thin films of photocurable polymer: Applications in integrated optics. J. A. Rogers, J. Prybyla, M. Meier, A. Dodabalapur 3:00—26. Bis-ort/70-diynylarene (BODA) derived polynaphthalenes as precursors to glassy carbon microstructures. S. T. Brittain, H. Shah, Q. Huang, S-J. Hwu, G. M. Whitesides, D. W. Smith Jr. 3:20—27. Fabrication of polymeric microcomponents using LIGA- and related techniques. T. Hanemann, V. Plotter, R. Ruprecht, J. H. Hausselt 3:50—28. CVD-based resist for 193-nm lithography processes. O. Joubert, C. Monget 4:20—29. Sources of line edge roughness in a negative-tone top surface imaging system. M. H. Somervell, J. Byers, C. G. Willson 4:40—30. Plasma polymers for Nd: YAG laser patterning. M. S. Silverstein, I. Visoly, O. Kesler, M. Janai, Y. Cassuto

Section Β Hilton Riverside Melrose Room, 3rd Floor General Papers/New Concepts in Polymeric Materials Synthesis

H. Ishida, Presiding 1:30—31. Methyl p-toluenesulfonate-initiated cationic polymerization of a benzoxazine resin. Y. Wang, H. Ishida 2:00—32. How to make an epoxide behave like a 1-propenyl ether. S. K. Rajaraman, W. A. Mowers, J. V. Crivello 2:30—33. Cationic polymerizations of ep oxides using microwave energy. J. Stoffer, D. Zhang, J. Crivello 3:00—34. Theory of cationic polymerizations of epoxides using microwave energy. J. O. Stoffer, D. Zhang, J. V. Crivello 35. Moved to Tuesday evening. 36. Withdrawn. 4:00—37. Controlling the self-assembly and dynamic response of star polymers by se lective telechelic functionalization. D. Vlassopoulos, G. Fytas, M. Pitsikalis, N. Hadjichristidis, T. Pakula

Section C

3:30—41. Dendrimer-based films, sheets, and membranes with precisely organized hydrophilic and hydrophobic nanoscopic domains. P. R. Dvornic, A. M. de LeuzeJallouli, M. J. Owen, D. A. Dalman, P. Parham, D. Pickelman, S. V. Perz 4:00—42. Creation of polymer films with nov el structures and properties by processing with inclusion compounds. L. Huang, M. Gerber, H. Taylor, J. Lu, E. Tapaszi, M. Wutkowski, A. E. Tonelli 4:30—43. Study of refractive index of PS thin films. X. Hu, K. Shin, M. Rafailovich, J. Sokolov, R. Stein, Y. Chan, R. Kolb M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63)

MONDAY MORNING Section A Hilton Riverside Rosedown Room, 3rd Floor H Polymers for Micro- and Nanopatterning Science and Technology Approaches to Advanced Lithographic Materials

H. Ito, Presiding 8:10—44. Plenary Lecture. Recent advanc es in organic imaging materials. C. G. Willson 9:00—45. Progress in polymers and photore sists applicable for 193-nm lithography. R. R. Dammel, M. Cook, A. Klauck-Jacobs, J. Oberlander, D. Rahman, M. Padmanaban 9:30—46. New positive-type photosensitive poly(phenylene ether): Poly(2-hydroxy-6methylphenol-co-2,6-dimethylphenol) with diazonaphthoquinone. M. Ueda, K. Take shi, K-l. Okuyama, Y. Ohba 10:00—47. Amino-containing polymers for water soluble electron-beam resist. Y. Na gasaki, Y. Sato, M. Kato 10:30—48. Preparation and evaluation of re sist resins for 193-nm lithography based on charge-transfer polymerization of maleic anhydride with tricyclo-[5.2.1.02,6]dec3-enyl derivatives. I. L. Rushkin, F. M. Houlihan, J. M. Kometani, R. S. Hutton, A. G. Timko, O. Nalamasu, E. Reichmanis, A. H. Gabor, A. N. Medina, M. O. Neisser, S. G. Slater 10:50—49. Lithographic performance of al ternating copolymers of norbomene and maleic anhydride with acrylate monomers. A. H. Gabor, O. Dimov, A. N. Medina, M. J. Bowden, M. O. Neisser, F. M. Houlihan, R. A. Cirelli, G. Dabbagh, R. S. Hutton, I. L. Rushkin, J. R. Sweeney, O. Nalamasu, E. Reichmanis 11:10—50. Design of alicyclic polymers for 193-nm photoresists offering enhanced postexposure delay stability. K. W. Patter son, M. Yamachika, S. Cho, T. Rager, S. Yamada, J. Byers, C. G. Willson 11:30—51. Design and chemistry of ad vanced deep-UV photoresists: Structural interplay of photoacid generator and acidsensitive protecting group. J. F. Cameron, S. L. Ablaza, G. Xu, W. Yueh 11:50—52. Spin coating and photolithogra phy using liquid and supercritical carbon dioxide. E. N. Hoggan, J. L. Kendall, D. Flowers, R. G. Carbonell, J. M. DeSimone

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CATALYSIS

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\ A

ENVIRONMENTAL ISSUES ! M MATERIALS PETROCHEMICALS

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A. J. Hsieh, Presiding 8:00—53. Mixing polymer blends of un matched viscosities via solid-state shear pulverization. N. Furgiuele, K. Khait, J. M. Torkelson 8:30—54. Toward predicting physical aging behavior of amorphous polymers from mo lecular features. C. G. Robertson, G. L. Wilkes 9:00—55. β-Relaxation of PMMA in coextruded PC/PMMA composites. A. J. Hsieh 9:30—56. Effects of polyvinyl acetate) and vinyl chloride-vinyl acetate copolymerbased low-profile additives on the miscibility and curing behavior of unsaturated polyester resins. Y-J. Huang, S-C. Lee, Y-Y. Horng, T-S. Chen 10:00—Intermission. 10:15—57. Study of the electrorheology of filled silicone elastomers. B. Liu, M. T. Shaw 10:45—58. Rheological properties of linseedoil-based ceramer coatings. C. R. Wold, M. D. Soucek 11:15—59. Mechanical properties of layerby-layer-deposited polyelectrolyte assem blies. M. C. Hsieh, R. J. Farris, T. J. Mc Carthy 11:45—60. Degradation studies of polycar bonate. J. E. Robertson, T. C. Ward

Section C Hilton Riverside Magnolia Room, 3rd Floor Roy W. Tess Award in Coatings in Honor of Mitchell A. Winnik Aspects of Film Formation

T. Provder, M. W. Urban, Organizers M. W. Urban, Presiding 9:00—61. Investigation of the morphology of films prepared from model carboxylated latex blends. J. Tang, V. L. Dimonie, E. S. Daniels, A. Klein, M. S. El-Aasser 9:30—62. Hydrophobically modified polyelectrolytes. M. Rubinstein, A. V. Dobrynin 10:00—63. Magnetic resonance imaging of the film formation of waterbome coatings. J. L. Keddie, E. Ciampi, P. J. McDonald, J. M. Salamanca 10:30—64. Process model of latex film for mation: Particle deformation. A. F. Routh, W. B. Russel 11:00—65. Preparation of reactive waterborne acrylic particles with methacrylate functionality. J. W. Taylor, M. J. Collins, D. R. Bassett 11:30—66. Award Address. Cross-linking vs. polymer diffusion across interfaces in latex films. M. A. Winnik M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63)

MONDAY AFTERNOON Hilton Riverside Rosedown Room, 3rd Floor

Film Formation Morphology, Film Structure, Novel Systems


General Papers/New Concepts in Polymeric Materials Multicomponent Systems, Mechanical Behavior

Section A

Hilton Riverside Magnolia Room, 3rd Floor

*

Section Β Hilton Riverside Melrose Room, 3rd Floor

M Polymers for Micro- and Nanopatterning Science and Technology Approaches to Advanced Lithographic Materials

J. L. Keddie, Presiding 2:00—38. Cryogenic scanning electron mi croscopy of early stages of film formation in drying latex coatings. E. Sutanto, Y. Ma, H. T. Davis, L. E. Scriven 2:30—39. Microstructure evolution in drying latex coatings. S. Z. Huang, H. T. Davis, L. E. Scriven 3:00—40. Studies on porosity in polymer la tex films. I. C. Hodges, J. Hearn, M. C. Wilkinson

S. Tagawa, Presiding 1:15—67. Improving resist performance with block copolymer additives. C. K. Ober, N. Sundararajan, S. Yang, R. D. Allen, K. Ogino, A. Kameyama, T. Mates


JULY 26, 1999 C&EN 137

PMSE/TECHNICAL PROGRAM

1:40—68. Novel dissolution inhibitors based on calixarene derivatives for use in chem ical amplification resists. H. Ito, T. Nakayama, M. Ueda, M. Sherwood, D. Miller 2:05—69. Model study by FT-IR of the inter action of select cholate dissolution inhibi tors with poly(norbornene-a/f-maleic anhy dride) and its derivatives. G. Dabbagh, F. M. Houlihan, I. L. Rushkin, R. S. Hutton, O. Nalamasu, E. Reichmanis, A. H. Gabor, A. N. Medina 2:25—70. Design of photoresist based on di verse reaction of polyfunction^ vinyl ether monomers. T. Yamaoka, H. Watanabe, S. Takahara, N. Miyagawa 2:45—71. Spatial distribution of photoacid generators in photoresist matrices. G. G. Barclay, N. Sundarajan, G. Xu, Z. Mao, C. Paddock, C. K. Ober 3:05—72. Measurement of acid diffusivity in thin polymer films above and below 7g. M. D. Stewart, S. V. Postnikov, H-V. Tran, D. R. Medeiros, M. Nierode, T. Cao, J. Byers, S. E. Webber, C. G. Willson 3:25—73. Study of resist outgassing as a function of photoadditive chemical struc ture. F. M. Houlihan, I. L. Rushkin, R. S. Hutton, A. G. Timko, O. Nalamasu, E. Reichmanis, A. H. Gabor, A. N. Medina, S. Malik, M. O. Neisser, R. R. Kunz, D. K. Downs 3:50—74. 1,2-Diol monosulfonates as acid amplifiers for photolithography. K. Ichimura, K. Arimitsu, S. Noguchi, T. Ohfuji, T. Naito 4:15—75. Lithography performance of ArF chemically amplified resists using acid am plifier. T. Ohfuji, T. Naito, M. Endo, H. Morimoto, K. Arimitsu, K. Ichimura 4:40—76. Polymeric dyes for antireflective coatings: Theory, design, and lithographic aspects. M. Padmanaban, S. Ding, W-B. Kang, D. N. Khanna, R. R. Dammel Section Β Hilton Riverside Melrose Room, 3rd Floor M Semicrystalline Polymers in Memory of Andrew Keller Theory and Simulations

H. Marand, S. Srinivas, Organizers H. Marand, Presiding 1:00—Introductory Remarks. 1:05—77. Andrew Keller's legacy to the field of semicrystalline polymers. D. C. Bassett 1:30—78. Regime I, II, and III for a linear polyethylene fraction M = 70,300: Test of nucleation theory. J. D. Hoffman, J. P. Armistead 2:10—79. Modeling polymer crystallization from solutions. M. Muthukumar 2:50—80. Simulation of "thickening growth" in polymer crystallization. K. L. Anderson, G. Goldbeck-Wood 3:20—Intermission. 3:30—81. Mechanism of thickness selection in polymer crystallization. J. P. K. Doye 4:10—82. Application of the Ginzburg-Landau theory to crystallization in polymer blends. T. Kyu, H. W. Chiu, T. Oshiro, S. Fan, R. Metha 4:40—83. Structure and properties of the interlamellar phase in semicrystaline poly mers by molecular simulation. S. Balijepalli, S. Gautam, G. C. Rutledge

Section C Hilton Riverside Magnolia Room, 3rd Floor Film Formation Thermosetting and Reactive Systems

J. W. Taylor, Presiding 2:00—84. Surface flattening of thermosetting powder coatings: Theory and experiment. J. L Keddie, D. C. Andrei, J. N. Hay, R. P. L. Sear, S. G. Yeates

2:30—85. Property development during film formation of two-component waterborne polyurethane using dielectric spectrosco py. J. E. Dewhurst, A. S. Drayton-Elder, X. Gao, T. M. Santosusso, C. F. Tien, T. L. Wickmann 3:00—86. On-line in situ sensor monitoring of rapidly curing coatings-films. D. Kranbuehl, J. Rogozinski 3:30—87. New acetal-functionalized latexes for cross-linkable films. C. Soares, B. Charleux, J-P. Vairon, C. Vergé, K. Loyen 4:00—88. Film formation in reactive oligomeric polyimides and poly(amic) acids. D. Dunson, S. J. Mecham, I. V. Farr, Q. Ji, J. E. McGrath

10:50—100. Crystal structures of polylactides. B. Lotz, L. Cartier, T. Okihara, J. Puiggali 11:30—101. Chain folding: A force microsco py view. P. Mina, A. Winkel, J. Hobbs, J. Mallett, J. Magill, M. J. Miles, A. Keller 12:00—102. Hedritic crystallization in poly mers studied by atomic force microscopy. G. J. Vancso, L G. M. Beekmans, D. Trifonova, J. Varga 12:30—103. Structural, morphological, and orientational requirements for high-per formance polymeric and organic thin-film transistors. A. J. Lovinger, Z. Bao, H. E. Katz, A. Dodabalapur

Section C

M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63)


TUESDAY MORNING

Adhesion: Chemistry, Mechanics, and Process Surfaces, Interfaces, and Interphases

Section A

R. A. Dickie, A. J. Kinloch, Organizers, Presiding

M Polymers for Micro- and Nanopatterning Science and Technology Novel Polymeric Materials Concepts for USLI Device Technologies

8:30—Introductory Remarks. 8:35—104. Interphase chemistry of carbon fi ber composites. J. F. Watts, P. E. Vickers, A. C. Prickett, P. A. Smith 9:00—105. Measurement of interfacial ener gy between sulfonated polysulfone and three substrates by AFM. L. C. Zhao, J. L. Russo, A. B. Brennan 9:25—106. Toward imaging of functional group distributions in surface-treated poly mers by scanning force microscopy using functionalized tips. H. Schônherr, Z. Hruska, G. J. Vancso 9:50—107. Self-adhesion hysteresis of a model siloxane elastomer. J. A. Emerson, G. V. Miller, C. R. Sorensen, R. A. Pearson 10:15—Intermission. 10:30—108. Failure studies of adhesion by UV reflection and fluorescence techniques. N-J. Kim, C. N. Jeong, C. S. P. Sung, N-H. Sung 10:55—109. Effects of surface roughness and humidity on the adhesion hysteresis of polydimethylsiloxane measured by an adhesion testing device. J. P. Pickering, D. W. van der Meer, G. J. Vancso 11:20—110. Evolution of surface-chemical parameters related to adhesion (18691999): Unified Lewis acid-base approach. L-H. Lee 11:45—111. Steric and depletion forces between silica surfaces with free and grafted PEO. A. B. Brennan, D. Kumar, Y. I. Rabinovich, J. J. Adler, G. B. Butler, B. M. Moudgil

D. C. Hofer, Presiding

Section Β

M Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63) M Polymers in Display Applications cosponsored with Division of Polymer Chemistry (see page 132)


TUESDAY AFTERNOON

M Semicrystalline Polymers in Memory of Andrew Keller Long- and Short-Chain n-Alkane Crystallization and Melting: Morphology

Hilton Riverside Rosedown Room, 3rd Floor

J. D. Hoffman, F. Khoury, Presiding 8:00—96. Crystallization of extended-chain n-alkanes. D. C. Bassett 8:40—97. Dissolution behavior of ultralong alkanes in dilute solution. J. K. Hobbs, P. J. Barham, A. Keller, M. J. Hill 9:20—98. Integer, noninteger, and mixed in teger forms in long-chain n-alkanes. X. B. Zeng, G. Ungar, S. J. Spells 10:00—99. Transient phase-induced nucle ation. Ε. Β. Sirota, A. B. Herhold 10:40—Intermission.

Section A

ICI Student Award in Applied Polymer Science

E. Reichmanis, Organizer, Presiding 1:30—112. Mechanism of phenolic polymer dissolution: Importance of acid-base equilibria. L. W. Flanagin, C. L. McAdams, W. D. Hinsberg, I. C. Sanchez, C. G. Willson 2:00—113. Time-temperature superposition law for phase separation kinetics in polymer blends. A. A. Lefebvre, J. H. Lee, N. P. Balsara, B. Hammouda 2:30—114. Dynamics of particle concentration and film formation in latex coatings. A. J. Guenthner, T. Kyu 3:00—115. Laser tuning self-focusing photooriented polymerization. K. Saravanamuttu, M. P. Andrews


138

JULY 26, 1999 C&EN

Section Β Hilton Riverside Melrose Room, 3rd Floor H Semicrystalline Polymers in Memory of Andrew Keller Crystallization and Melting H. Marand, S. Srinivas,

Hilton Riverside Rosedown Room, 3rd Floor

9:00—89. Nanoporous polymers via templated polymerization for low dielectric constant applications. K. R. Carter, P. T. Furuta, C. J. Hawker, J. L. Hedrick, B. S. Kesler, E. Y. Lebedeva, R. D. Miller, C. V. Nguyen, W. Volksen, D. Y. Yoon 9:30—90. Inorganic-organic framework for molecular-level systems design. R. E. Taylor-Smith, A. Durazo, F. C. Schilling 10:00—91. Photodefinable cyclic olefin polymers as interlevel dielectric material for microelectronic applications. S. Jayaraman, S. Sun, W. C. McDougall, L. F. Rhodes, R. A. Shick, P. A. Kohl, S. A. Bidstrup-Allen, Y. Bai 10:30—92. Low dielectric constant CVD fluorocarbon films. K. K. S. Lau, C. B. Labelle, K. K. Gleason 11:00—93. Fluorinated amorphous carbon: A low dielectric constant material for multilevel interconnect applications. W. Zhu, C. S. Pai, H. E. Bair, H. W. Krautter, B. S. Dennis 11:30—94. Photoisomerization and photoinduced alignment of azobenzene containing polymers in ultrathin films fabricated by alternate polyelectrolyte deposition (APD): Applications for LC displays. R. Advincula, M-K. Park, A. Baba, F. Kaneko 11:50—95. Microfabrication via two-photon photoinitiated polymerization. K. D. Belfield, X. Ren, D. J. Hagan, E. W. Van Stryland, V. Dubikovsky, E. J. Miesak

3:30—116. Electroinitiated cationic polymerizations in the presence of sulfonium and iodonium salts. W. A. Mowers, J. V. Crivello 4:00—117. Stable, low surface energy fluoromethacrylate block copolymers with lithographic segments. S. Yang, C. K. Ober 4:30—118. Quaternary ammonium-functionalized polypropylene imine) dendrimers as potent biocides. C. Z. Chen, S. L. Cooper

B. S. Hsiao,

Organizers

Presiding

2:00—119. Crystallization and melting of polymer crystals revealed by T-M DSC. A. Toda, T. Oda, C. Tomita, M. Hikosaka, T. Arita, Y. Saruyama 2:40—120. Polymer secondary crystalliza tion: A universal model. H. Marand, A. Alizadeh 3:10—121. Chain mobility in polymer sys tems between solid and melt: Lamellar doubling. P. J. Lemstra, S. Rastogi, J. G. P. Goossens, L. Kurelec 3:40—Intermission. 3:50—122. Analysis of the nanophase struc ture of semicrystalline polymers with atom ic force microscopy (AFM), microcalorimetry (MC), and temperature-modulated calorimetry (TMC). B. Wunderlich 4:30—123. Compared lamellar crystal struc ture and morphology of nylon 5 and nylon 46. M. Bermudez, S. Leon, C. Alemân, S. Munoz-Guerra 5:00—124. Early stages of polypropylene crystallization as physical gelation. N. V. Pogodina, H. H. Winter, S. Srinivas

Section C Hilton Riverside Magnolia Room, 3rd Floor Adhesion: Chemistry, Mechanics, and Process Durability and Interfacial Chemistry

J. G. Dillard, J. E. Ritter, Presiding 2:00—125. Using ultrasonic nonlinear parameter to characterize the curing of adhesive joints. G. Liu, J. Qu, L. W. Jacobs 2:25—126. Locus and mechanism of failure for epoxy adhesive bonds to silane-treated aluminum substrates. R. P. Digby, N. Porritt, S. Shaw, M-L. Abel 2:50—127. Specific interactions involved in an adhesive joint: The case of an epoxy adhesive and an organosilane primer. M-L. Abel, A. Rattana, J. F. Watts, R. P. Digby 3:15—128. Durability and fatigue of silanebonded epoxy/glass interfaces. J. E. Ritter, G. S. Jacome, J. C. Learned, T. P. Russell, T. J. Lardner 3:40—Intermission. 3:55—129. Durability of adhesively bonded Ti-6AI-4V. J. G. Dillard, R. Tiwari 4:20—130. Organic-inorganic hybrids using novel phenylethynyl imide silanes. C. Park, S. E. Lowther, J. G. Smith Jr. 4:45—131. Alkoxysilane-modified polyurea coatings. H. Ni, A. D. Skaja, M. D. Soucek, W. J. Simonsick Jr., W. Zhong H Polymeric Materials in Separations cosponsored with Macromolecular Secretariat (see page 63) H Polymers in Display Applications cosponsored with Division of Polymer Chemistry (see page 133)

TUESDAY EVENING Section A Convention Center Exhibit Hall A Joint PMSE/POLY Poster Session

P. Cebe, Organizer, Presiding 6:00-8:00 Adhesion: Chemistry, Mechanics, and Process

R. A. Dickie, Presiding 132. Structural property characterization of a photopolymerizable acrylic resin cured un der water. P. I. Dolez, B. J. Love 133. Performance of a wood adhesive of re cycled polyvinyl butyral and phenolic res ins. H. Stretz, J. Padgett, G. Lehane, J. Koo, P. Cassidy 134. Spontaneous polymerization on metals via a painting process. N. A. Baker, J. P. Bell M Semicrystalline Polymers in Memory of Andrew Keller

S. Srinivas, Presiding 135. Withdrawn. 136. Effect of topological constraints on the crystallization behavior of ethylene/a-olefin copolymers. A. Alizadeh, J. Xu, C. Subramaniam, L. Richardson, H. Marand 137. Effect of structural constraints devel oped during primary crystallization on the secondary crystallization process. S. Elkoun, R. Farmer, A. Alizadeh, K. Mizutani, J. Xu, S. Christian, H. Marand 138. Quiescent melt crystallization of bisphenol A polycarbonate: Effect of crystalliza tion time, temperature and molecular weight. S. Sohn, A. Alizadeh, H. Marand, L. C. Shank, H. D. Her 139. Time-domain dielectric spectroscopy analysis of the amorphous phase in semicrystalline polycarbonate. C. R. Snyder, F. I. Mopsik, H. Marand, A. Alizadeh, S. Sohn 140. Determination of the equilibrium melting temperature of semicrystalline polymers by the nonlinear Hoffman-Weeks extrapo lation. J. Xu, H. Marand, S. Srinivas 141. On the kinetics of the linear growth rate data of syndiotactic polypropylene: Deter mination of the equilibrium melting temper ature using the data-fitting procedure. P. Supaphol, J. Spruiell 142. Predicted small- and wide-angle X-ray scattering intensities from stacks of lamel lar crystals. S. Hanna, P. J. Barham 143. Spherulitic crystallization of poly(hydroxybutyrate): A model system? J. K. Hobbs, P. J. Barham, T. J. McMaster, M. J. Miles, A. Keller 144. Role of entanglements and knots in polyethylene processed from the melt. R. K. Bayer, G. H. Michler, F. J. Balta-Calleja 145. Real-time crystallization of poly(ecaprolactone) studied by atomic force mi croscopy. L. G. M. Beekmans, G. J. Vancso 146. Simulations estimating values of Young's modulus for random ethylene/1 hexene copolymers. J. L. Braun, J. E. Mark, T. Madkour 147. Self-nucleation study of metallocene isotactic poly(propylene). P. Dai, P. Cebe, M. Capel, R. Alamo, L. Mandelkern

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148. Interfacial anchoring: A toughening mechanism in semicrystalline blends. K. A. Chaffin, J. S. Knutsen, F. S. Bates, P. Brant 149. Adhesion in melt-fabricated semicrystalline/amorphous polymeric layered structures. P. J. Cole, C. W. Macosko 150. Crystal-solvates in syndiotactic polysty rene and polybenzylglutamate. C. S. J. Corstjens, S. Rastogi, J. G. P. Goossens, P. J. Lemstra 151. Chain mobility in polymer systems be tween solid and melt: Sintering via the mo bile hexagonal phase. L. Kurelec, S. Ras togi, P. J. Lemstra 152. Crystallization in mesophases: Poly-dialkyl siloxanes. S. Rastogi, M. Moeller 153. Polymorphism in syndiotactic polypro pylene: Thermodynamic stability regime for different phases in pressure-temper ature phase diagram. S. Rastogi, J. Loos, S. Z. D. Cheng, P. J. Lemstra 154. Study of crystallization in polyethylene terephthalate (PET) using atomic force mi croscopy. W. Lu, K. A. Debelak, C. Yang, W. Ε. Collins, A. Witt, C. Lott 155. Fast-crystallizing polyesteramides based on diamide segments and diol spacers. R. J. Gaymans, P. J. M. Serrano 156. Competition between α and γ phases in isotactic polypropylene: Effects of ethylene content and nucleating agents at different cooling rates. G. Goldbeck-Wood, T. Forestra, S. Piccarolo 157. Crystallization studies of nickel-filled low-density polyethylene composites. B. P. Grady, W. B. Genetti 158. Effect of crystallinity on amorphous re gions of PET/PCT copolymer. A. J. Hill, M. R. Tant 159. Correct determination of crystal lamellar parameters in poly(ethylene terephthalate) by small-angle X-ray scattering. Z-G. Wang, B. S. Hsiao, B. B. Sauer, H. Chang, J. M. Schultz 160. Crystallization study of syndiotactic polystyrene time-resolved X-ray scattering and diffraction methods. H. Yang, B. S. Hsiao, B. Landes, R. Bubeck, Y-B. Huang 161. Melt-crystallized morphology of pig mented polyethylenes. J. J. Janimak, P. E. Tomlins, M. J. Shenton, G. C. Stevens 162. Nonisothermal crystallization behaviors in poly(ethylene-co-ethyleneoxyethylene terephthalate)s. S. W. Lee, M. Ree 163. Synchrotron X-ray scattering study on thermal-imidization-induced structural evo lution in an aromatic polyimide. M. Ree, T. J. Shin, B. Lee, X. Wang, H. S. Youn, K. B.Lee 164. Real-time X-ray scattering from a nylon fiber under strain. H. Chang, J. D. Londono, R. V. Davidson, J. Wu, W. M. Guise, J. P. Quintana, C. R. Ginnard, R. A. Leach 165. Melting of secondary polyethylene crys tals in a slow-cooled ethylene-methacrylic acid ionomer. Y. L. Loo, R. A. Register, B. S. Hsiao 166. Morphology of linear low-density poly ethylene blown films: Effect of stalk height. J. Lu, B. Zhao, H-J. Sue 167. Mechanical behavior of highly oriented poly(ethylene terephthalate). Z. Xia, C. K-Y. Li, H-J. Sue 168. Nonisothermal crystallization kinetics of PP after DSC calibration on cooling. J. A. Martins, J. J. C. Cruz Pinto 169. Phase behavior and crystallization of thin-film polyolefin blends. M. A. Modi, R. Krishnamoorti, P. Green, A. Karim 170. Complex melting behavior of LLDPE co polymers. M. Aviles, P. Joskowicz, A. Diaz B., C. C. Puig 171. Crystallization and multiple melting be havior of a new semicrystalline polyimide based on 1,3-bis (4-aminophenoxy)benzene (TPER) and 3,3',4,4'-biphenonetetracarboxylic dianhydride (BTDA). V. Ratta, A. Ayambem, J. E. McGrath, G. L. Wilkes

172. Crystallization and solid-state structure of poly(lactide) copolymers. S. A. Baratian, E. S. Hall, J. S. Lin, J. P. Runt 173. Polyethylene plasticity in relation to crystalline morphology. R. Seguela, V. Gaucher-Miri, S. Elkoun 174. Crystal growth of polystyrene in ultrathin films. K. Taguchi, H. Miyaji, K. Izumi, A. Hoshino, Y. Miyamoto, R. Kokawa 175. Metallocene and Ziegler-Natta isotactic polypropylene: The right-amorphous phase and the mesophase. M. Varma-Nair, P. Agarwal 176. Infrared spectroscopic analysis of crys tallization in poly(ethylene naphthalate). N. Vasanthan, D. R. Salem 177. Carbon-fiber-reinforced PEEK compos ites: Role of thermal history on the crystal linity, morphology, and thermomechanical properties. T. Sinmazcelik, E. Yilgor, I. Yilgor 178. Cold crystallization and melting of nar row molecular weight PEEK fractions. M. Dosière, C. Fougnies 179. Time-resolved Raman and X-ray diffraction study of melting of LLDPE. D. Villers, A-C. Draye, C. Vandermiers, S. Hocquet, M. Dosière Film Formation

T. Provder, Presiding 180. Ultrathin diamondlike carbon and silicon oxide layer deposition and restriction of surface dynamics of plasma-modified polymer surfaces. J. Hyun, M. Pope, D. E. Aspnes, J. J. Cuomo 181. Mechanistic studies of the photopolymerization of maleimide/vinyl ether monomers. D. Yang, K. Viswanathan, C. E. Hoyle, S. Jônsson, C. Hasselgren General Papers/New Concepts in Polymeric Materials

P. Cebe, Presiding 35. Advances in molecular scale electronics: Synthesis and testing of molecular scale resonant tunneling diodes and molecular scale controllers. A. M. Rawlett, J. Chen, M. A. Reed, J. M. Tour 182. Synthesis of cross-linked polyesters. A. Singh, T. B. Nguyen 183. Free-radical polymerization of diethyl-5,6bis(methylene) decanedioate. M. Beery, V. Sheares 184. Cross-linked phenolic polyesters. Ν. Μ. Irving 185. Synthesis and characterization of group 4B metallocene polymers containing the plant growth hormone gibberellic acid. A. R. Salamone, C. E. Carraher, H. H. Stewart, S. L. Miao, J. M. Peterson, A-M. Francis 186. Synthesis of group 4B metallocenecephalexin containing polymeric drugs. J. M. Peterson, C. E. Carraher, A. R. Salam one, A-M. Francis 187. Biological activity of organotin polymers containing p-aminobenzoic and ampicillin against human ovary andeocarcinoma cell lines. D. W. Siegmann-Louda, C. E. Car raher, J. R. Ross, F. Li, K. Mannke, S. Harless 188. Selective modification of diene block co polymers for preparation of nanostructured thermosets. R. B. Grubbs, J. M. Dean, F. S. Bates 189. Conformational dynamics of cytochrome c by coarse-grained simulations. T. Haliloglu 190. Hybrid reinforcement in polydimethylsiloxane composites. M. Kahraman Jr., N. Nugay Sr. 191. Biodegradable organic-inorganic hy brids based on poly(i_-lactic acid). S. Bandyopadhyay, R. Chen, E. P. Giannelis 192. ESR investigations on γ irradiated poly styrene. M. I. Chipara, M. D. Chipara, T. Sarbu 193. Spin probe investigations on molecular motions in polyepichlorohydrin. M. I. Chip ara, T. Sarbu, M. D. Chipara

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194. On the temperature dependence of cor relation times. M. I. Chipara 195. Evaluation of nonchrome inhibitors for corrosion protection of high-strength alu minum alloys. E. Morris, J. O. Stoffer, T. J. O'Keefe, P. Yu, X. Lin 196. Reclamation of waste tires via in situ thermal grafting polymerization. K. R. Sharma 197. Effect of residual solvent on the adhe sive strength of the secondary bonding adhesives. M. Sankarapandian, H. Zhuang, S. Mecham, N. Gunduz, A. R. Schulz, J. E. McGrath Polymers for Micro- and Nanopatterning Science and Technology

E. Reichmanis, Presiding 198. Measurement of concentration gradi ents in resist films by a "halt development" technique. S. D. Burns, A. B. Gardiner, V. J. Krukonis, P. M. Wetmore, A. Qin, C. G. Willson 199. Interfacial cationic graft polymerization lithography. C. J. Brodsky, C. G. Willson 200. Three-component negative-type pho toresist based on c-tetraoctyl-calix[4]resorcinarene, a cross-linker, and a photoacid generator. K. Takeshi, D. Takahashi, T. Nakayama, M. Ueda 201. Design and study of water-processable positive-tone photoresists. S. Yamada, T. Rager, J. Owens, J. Byers, M. Nielsen, C. G. Willson 202. Laser flash photolysis study of some n-oxysuccinimidosulfonate photoacid gen erators: Potential photoacid generators for 193-nm lithography. F. Ortica, J. C. Scaiano, J. F. Cameron, H. Liu 203. Micropatterning of adsorbed monolay ers of photopolymerizable tetracation. M. Nakagawa, K. Ichimura 204. Base proliferation reactions and their applications to photopolymer systems. K. Arimitsu, M. Miyamota, K. Ichimura 205. Functional ultrathin multilayer assem blies: Adsorption properties of charged azo dyes and polyelectrolytes investigated using the quartz crystal microbalance (QCM) technique. R. Advincula, A. Baba, F. Kaneko 206. Microlithographic patterning of polymer substrates for directed neuronal growth studies. K. E. Schmalenberg, H. Buettner, K. E. Uhrich H Polymers in Display Applications cosponsored with Division of Polymer Chemistry (see page 134)

WEDNESDAY MORNING Section A Hilton Riverside Rosedown Room, 3rd Floor Special Topics: Younger Contributors to Polymer Materials Science Cosponsored with Younger Chemists Committee

N. A. Merrill, Organizer, Presiding 8:00—207. Synthesis of new poly(lactic acid) microstructures. G. W. Coates, T. M. Ovitt 8:25—208. Everything you always wanted to know about industry but were afraid to ask. L. S. Boffa 8:50—209. Block copolymer electrolytes for rechargeable lithium batteries. A. M. Mayes, P. P. Soo, B. Huang, D. R. Sadoway, D. J. Harris, K. Schmidt-Rohr 9:15—210. Carbon dioxide technology plat form. J. M. DeSimone 9:40—211. Phase transitions in the presence of nanoscopic fillers. R. Krishnamoorti, A. Silva, J. Ren 10:05—212. Shear-induced melting of the block copolymer spherical phase. R. A. Register, J. M. Sebastian, C. Lai, W. W. Graessley 10:30—213. Synthesis and self-assembly of block copolymers. M. A. Hillmyer


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JULY 26, 1999 C&EN 1 3 9

PMSE/PROF/SCHB/TECHNICAL PROGRAM

10:55—214. Functional, nanostructured ma terials via the polymerization of liquidcrystal assemblies. D. L. Gin, D. H. Gray, R. C. Smith, S. A. Miller, J. H. Ding, B. C. Baxter 11:20—215. Dynamics of polymers at surfac es and interfaces probed using linear and nonlinear optical techniques. A. Dhinojwala 11:45—216. Analysis of proteins in biological samples using ProteinChip arrays. J. E. Beecher

Section Β Hilton Riverside Melrose Room, 3rd Floor M Semicrystalline Polymers in Memory of Andrew Keller Flow, Pressure, and Temperature Gradient Effects, and Blends

G. L. Wilkes, B. Crist Jr., Presiding 8:00—217. Temperature ranges for charac teristic crystallization of behavior, as relat ed to heat transfer and flow: Polymers vs. metals. H. Janeschitz-Kriegl 8:40—218. Effect of shear history on crystal lization of isotactic polypropylene. J. A. Kornfield, G. Kumaraswamy, P. Wang, R. K. Verma, F. Yeh, B. S. Hsiao 9:20—219. Inverse melting in crystalline polymers. S. Rastogi, G. W. H. Hoehne, A. Keller 9:50—220. Formation of cylindritic morpholo gy in melt-sheared it-polybutene-1. G. C. Alfonso 10:20—Intermission. 10:30—221. Effects of molecular weight and "melt-memory" on nucleation of polyethyl ene. M. Hikosaka, S. K. Gosh, A. Toda 11:00—222. Early stages of crystallization in polymer fibers. J. M. Schultz, J. M. Samon, J. Wu 11:30—223. Structure of polyethylene terephthalate)/poly(ether imide) semicrystal line blends: Implications for the structure of semicrystalline PET. D. A. Ivanov, T. Pop, D. Υ. Υοοη, Α. Μ. Jonas 12:00—224. Crystallization of poly(ethylene oxide) and melt-miscible PEO blends. L. Wu, M. Lisowski, J. P. Runt 12:30—225. Crystallization and phase be havior in melt-miscible polyamide blends. C. S. Powell, W. B. Lake, D. S. Kalika

Section C Hilton Riverside Magnolia Room, 3rd Floor Adhesion: Chemistry, Mechanics, and Process Durability and Interfacial Chemistry

J. W. Holubka, J. F. Watts, Presiding 8:30—Introductory Remarks. 8:35—226. Use of an epoxy-episulfide resin system for protective coating of copper. K. Tsuchida, J. P. Bell 9:00—227. Latex coalescence influence on the adhesive performance of waterborne epoxy/copper interfaces in interlayer di electric constructions. M. L. Jackson, B. J. Love 9:25—228. Failure mechanisms of adhesive ly bonded hot-dipped galvanized steel: A TOF-SIMS and XPS study. M. F. Fitzpatrick, J. F. Watts, J. S. G. Ling 9:50—229. Interphase formation and charac terization of epoxy-diamine/metallic sub strate systems. A. A. Roche, S. Bentadjine, J. Bouchet 10:15—Intermission. 10:30—230. Adhesives induce crevice corro sion on stainless steel. M. A. Schirle, M. Faller, W. R. Caseri 10:55—231. Effect of test environment on the fatigue life of mixed-mode composite joints. I. A. Ashcroft, D. J. Hughes, S. J. Shaw 11:20—232. Mitigation of interfacial stress corrosion cracking in adhesive bonding by self-assembled monolayers. J-K. Shang, T. Du, J. G. Van Alsten

WEDNESDAY AFTERNOON

Section A Hilton Riverside Rosedown Room, 3rd Floor M Polymeric Surfactants Polymeric Assembly and Association Cosponsored with Division of Colloid & Surface Chemistry and Division of Polymer Chemistry

R. K. Prud'homme, S. A. Khan, Organizers R. K. Prud'homme, Presiding 1:30—233. Solutions of associating poly mers. M. Rubinstein, A. N. Semenov, A. V. Dobrynin 2:15—234. Ionic ABA and BAB-triblock co polymers as polymeric surfactants in emulsion polymerizations. M. Klapper, K. Haimer 2:35—235. Concentrated direct and inverse macroemulsions stabilized by amphiphilic polyelectrolytes. P. J. Perrin, N. Monfreux, F. Thierry, F. Lafuma, F. Lequeux 2:55—236. Behavior and stability of combgraft copolymer stabilized oil films. M. R. Anklam, D. A. Saville, R. K. Prud'homme 3:15—237. Surfactancy of a block copolymer under high pressure. N. P. Balsara, J. H. Lee, H. S. Jeon, B. Hammouda 3:35—238. Site-specific hydrophobically modified cationic cellulose ethers: A study by fluorescence of their association in wa ter and their interactions with nonphospholipid liposomes. F. M. Winnik, S. Regismond, J-F. Stumbé 3:55—239. Interactions between hydrophobically modified polymers, surfactants, and cyclodextrins as revealed by Theological measurements. P. Alexandridis, M. Tsianou 4:15—240. Understanding enantiomeric separation of 1'-bi-2-naphthyl-2,2'-diyl hydrogen phosphate using polymeric and monomeric amino acid based surfactants with capillary electrokinetic chromatography and fluorescence spectroscopy. F. Haddadian, E. J. Billiot, M. E. McCarroll, I. M. Warner 5:00—Division Business Meeting.

Section Β Hilton Riverside Melrose Room, 3rd Floor M Semicrystalline Polymers in Memory of Andrew Keller Crystallization and Melting

A. Alizadeh, Presiding 2:00—241. Crystallization behavior of ethyl ene copolymers. L. Mandelkern 2:40—242. Steps in the formation of the par tially crystalline state. B. Heck, T. Hugel, M. lijima, G. Strobl 3:20—243. Higher DSC melting peak tem perature and a higher crystallinity at high temperatures by using a higher cooling rate: A special case of recrystallization during heating for ethylene-1-octene co polymers. B. Goderis, V. B. F. Mathot, H. Reynaers 3:50—Intermission. 4:00—244. Thermal and structural behavior of metallocene-type random propylene co polymers. R. G. Alamo, J. R. Isasi, M. H. Kim, L. Mandelkern, D. L. VanderHart 4:30—245. Crystallization kinetics of a strongly segregated sphere-forming diblock copolymer. Y. L. Loo, R. A. Regis ter, A. J. Ryan 5:00—246. Crystal thickness distributions from polymer melting. B. Crist Jr., F. M. Mirabella Jr.

Section C Hilton Riverside Melrose Room, 3rd Floor

Adhesion: Chemistry, Mechanics, and Process Mechanics, Fracture Mechanics, and Interfacial Strength

M Semicrystalline Polymers in Memory of Andrew Keller Synchrotron X-ray Scattering Studies: Morphology

D. L. Hunston, J. P. Bell, Presiding

S. Srinivas, P. J. Barham, Presiding

2:00—247. Squeeze-recoil analysis of adhe sive hydrogels and elastomers. S. V. Kotomin, T. A. Borodulina, M. M. Feldstein, V. G. Kulichikhin 2:25—248. Fracture mechanics of poly(/Vvinyl pyrrolidone)-poly(ethylene glycol) hydrogel adhesive joints. A. E. Chalykh, A. A. Chalykh, M. M. Feldstein 2:50—249. Effect of thermal residual stress es on the apparent polymer/metal interfacial toughness. M. Yao, J. Qu 3:15—250. Pull-out of polymer fibers from epoxy resins. R. J. Young, D. J. Bannis ter, A. J. Cervenka, C-L. So, I. Ahmad 3:40—Intermission. 3:55—251. Strain rate effects in the single fi ber fragmentation test for fiber-matrix ad hesion. D. L. Hunston, G. A. Holmes, R. C. Peterson, W. G. McDonough 4:20—252. Interfacial adhesion between a high-Tg thermoplastic and epoxy networks: Interfaces vs. interphases. B. Lestriez, J. P. Chapel, C. Plummer, J. F. Gérard 4:45—253. Quantification of automotive coating interlayer adhesion. J. S. Meth 5:10—254. Effect of surface chemistry and coating composition variations on the interfacial chemistry and adhesion performance of multilayered coating systems. J. W. Holubka, L. P. Haack, A. M. Straccia, B. Qaderi

8:00—262. Scattering study of nucleation phenomena in homopolymer melts. A. J. Ryan, N. J. Terrill, J. P. A. Fairclough 8:40—263. Probing the early stages of poly mer crystallization by simultaneous smalland wide-angle X-ray scattering and laser light scattering. Z-G. Wang, B. S. Hsiao, C. Kopp, E. B. Sirota, P. Agarwal, S. Srin ivas 9:10—264. Simultaneous SAXS, WAXS, and local strain measurement: Deformation of row-structure LLDPE. D. T. Grubb, V. Bala 9:40—265. Microstructure analysis using temperature-induced contrast variation in small-angle scattering. J. D. Barnes, R. Kolb, K. A. Barnes, A. I. Nakatani, B. Hammouda 10:10—266. Morphological changes during crystallization and melting of polymers studied by synchrotron X-ray and modulat ed DSC. B. B. Sauer, B. S. Hsiao, Z-G. Wang 10:40—267. Real-time crystallization and melting study of metallocene-based poly ethylene copolymers by SAXS, WAXS, and DSC techniques. W. Liu, B. S. Hsiao, R. S. Stein 11:10—Intermission. 11:20—268. Helical single lamellar crystals thermotropically formed in a synthetic isochiral main-chain polyester. S. Z. D. Cheng, C. Y. Li, D. Yan, F. Bai, J. J. Ge, T. He, L-C. Chien, F. W. Harris, B. Lotz 12:00—269. Stacked hollow pyramidal lam ellar crystal of poly(ethylene succinate). N. Okui, A. Sonoda, T. Miyagi, T. Horiuchi, S. Umemoto, T. Kikutani 12:30—270. Some overlooked problems in polymer crystallization. P. H. Geil

M Polymers in Display Applications cosponsored with Division of Polymer Chemistry (see page 135)

THURSDAY MORNING

Section A Hilton Riverside Rosedown Room, 3rd Floor

Section C

M Polymeric Surfactants Polymeric and Monomeric Surfactants


Cosponsored with Division of Colloid & Surface Chemistry and Division of Polymer Chemistry

Adhesion: Chemistry, Mechanics, and

S. A. Khan, Presiding 9:00—255. Mechanism of association of hydrophobically modified polymers in water. M. A. Winnik 9:45—256. Formation of mixed micelles from diblock copolymers. S. L. Wells, M. Adam, J. M. DeSimone, M. Rubinstein 10:05—257. Adsorption and solubilization in mixtures of polymers and surfactants. R. D. Tilton, J-H. Kim, A. Braem, D. C. Prieve, M. M. Domach 10:25—258. Nature of the interaction of surfactants with surfactant-modified, watersoluble polymers in defining the viscosity maximum. P. T. Elliott, M-R. Tarng, J. E. Glass 10:45—259. Influence of hydrophobically modified, ethoxylated urethanes on the spray application of complex fluids. P. T. Elliott, J. E. Glass, K. Ebeling 11:05—260. Unexpected changes of the shear viscosity in mixtures of hydrophobically modified hydroxyethylcellulose and CTAB/NaSal at low and high temperatures. S. Svenson, R. K. Prud'homme 11:25—261. Toroidal micelles of surfactant tetramer. M. In, O. Aguerre-Chariolle, R. Zana

M Polymers in Display Applications cosponsored with Division of Polymer Chemistry (see page 135)


1 4 0 JULY 26, 1999 C&EN

Section Β


Process Modeling and Simulation

M. Sennett, R. J. Young, Presiding 8:30—Introductory Remarks. 8:35—271. Atomistic simulation of the cohe sive and surface properties of polyethyl ene and polypropylene. R. B. Ross, M. S. Reeves 9:00—272. Energetics and structures of water-hydrocarbon-alumina interfaces. W. L. Hase, E. F. Sawilowsky, J. M. Wittbrodt, H. B. Schlegel 9:25—273. Molecular modeling of the adhe sion of organosilane primers. A. J. Kinloch, P. M. Hobbs 9:50—274. Modeling adhesion at the polyimide-silica interface. T. R. Walsh, C. G. Harkins, A. P. Sutton 10:15—Intermission. 10:30—275. Combined molecular simulation and experimental determination of the interfacial forces in carbon fiber resin com posites. R. D. Allington, D. A. Attwood, I. Hamerton, J. N. Hay, B. J. Howlin 10:55—276. Modelling of interaction at the composite interface between aluminosilicate nanotubes and polymer matrices. M. M. N. Gibbons, J. N. Hay, B. J. Howlin 11:20—277. Effect of shear on intercalated polymer/clay composites: A Monte Carlo simulation. J. Huh, A. C. Balazs 11:45—278. Morphology in the box: Atomic force calculation and phantom bubble analysis in the interface. S. Lee, W. L. Mattice

THURSDAY AFTERNOON Section A Hilton Riverside Rosedown Room, 3rd Floor H Polymeric Surfactants Physical Properties and Synthesis Cosponsored with Division of Colloid & Surface Chemistry and Division of Polymer Chemistry

M. R. Anklam, Presiding 1:30—279. Natural polymeric surfactants of medical importance. R. A. Gross, V. Guilmanov, D. Kaplan, J. Fuhrman, A. Weyergraf, B. Pailaitis, J. Alroy 1:50—280. Aggregation effects of ionomers on their interfacial behavior. T. A. Hill, C. W. Martin, D. Perahia 2:10—281. Synthesis of a cholesterol-deriv ed initiator for atom-transfer polymeriza tion. A. P. Jarvis, A. M. Heming, D. M. Haddleton 2:30—282. Langmuir films of linear-dendritic rod diblock copolymers. C. M. Bambenek, T. A. Hatton, P. T. Hammond 2:50—283. Adsorption and surface elastic properties of corresponding fluorinated and nonfluorinated cationic polymer films measured by drop shape analysis. T. Framyr, F. K. Hansen, A. Kotzev, A. Laschewsky 3:10—284. Polymeric surfactants for the preparation of high internal phase emul sion (HIPE) foams. S. W. Mork, D. P. Green, G. D. Rose 3:30—285. Synthesis and solution properties of poly(acrylamide-styrene) block copoly mers with high hydrophobic content. B. F. Abu-Sharkh, S. Shaikh, E. Z. Hamad, S. K. Ali 3:50—286. Interaction of polymeric and cationic surfactants: Comicellization into the hybrid systems stabilizing the Pd and Pt nanoparticles. L. Bronstein, D. M. Chernyshov, L. V. Timofeeva, L. V. Dubrovina, P. M. Valetsky, A. R. Khokhlov 4:10—287. SMTAPE polyester emulsifier: Structural effects/particle nucleation mechanism in PBMA/PS emulsion poly merization. Y-H. Chang, Y-D. Lee, O. J. Karlson, D. C. Sundberg

3:30—291. Morphology development in isotactic polypropylene homopolymer mix tures. R. A. Phillips 4:00—292. Environmental stress crack in polyethylene. A. Prasad

Section C Hilton Riverside Magnolia Room, 3rd Floor Adhesion: Chemistry, Mechanics, and Process Structure-Property Relationships, and Hot-Melt and Pressure-Sensitive Adhesion

J. A. Emerson, B. J. Love, Presiding 1:30—Introductory Remarks. 1:35—293. Adhesion issues in starch-based binary blends. K. R. Sharma 2:00—294. Predictive model for new hot-melt adhesives bonded to polypropylene sur face. M. F. Tse 2:25—295. Role of "polymer-surfactant" in teractions on the adhesion properties of coated poly(ethylene terephthalate) film in composite laminate structures. J. A. Siddiqui, E. L. Mason, C. Chappell Jr. 2:50—296. Effects of composition and hydra tion on adhesive properties of poly(/V-vinyl pyrrolidone)-poly(ethylene glycol) hydrogels. A. A. Chalykh, A. E. Chalykh, M. M. Feldstein 3:15—297. Adhesion of polymer melts to sol id substrates. H. Lakrout, C. Creton, D. Ahn, K. R. Shull 3:40—Intermission. 3:55—298. Time-dependent interactions between extension and tack of a pres sure-sensitive adhesive. J. Ferguson, J. F. Forsyth 4:20—299. Effects of surface modification of pressure-sensitive tapes by remote oxy gen plasma on their adhesive property. M. Kawabe, S. Tasaka, N. Inagaki 4:45—300. Quantitative relationship between molecular structure and adhesion of PVPPEG hydrogels. M. M. Feldstein, Α. Ε. Chalykh, Α. Α. Chalykh, Ν. Α. Plate 5:10—301. Contribution of molecular mobili ty to debonding of pressure-sensitive ad hesive hydrogels. M. M. Feldstein, Α. Ε. Chalykh, Α. Α. Chalykh, G. Fleischer, R. A. Siegel

Section Β

T. J. Kucera, Presiding 8:00-10:30 6. Industry restructuring and permanent changes in chemistry job employment. J. K. Borchardt 7. Age discrimination in science and engi neering: Beginning to go beyond anecdot al information. J. K. Borchardt 8. History of the Professional Relations Divi sion. E. A. Nalley, A. E. Pavlath 9. Henry Hill Award: A tribute to Henry Hill. E. A. Nalley, A. E. Pavlath 10. History of the chemical grassroots. A. E. Pavlath 11. Professionalism: Origin, presence, and future. A. E. Pavlath 12. Portable pensions: Are they a reality or a dream? A. E. Pavlath

PROF

Presiding

DIVISION OF PROFESSIONAL RELATIONS T. J. Kucera, Program Chair

SOCIAL EVENT: Reception, Mon

SCHB DIVISION OF SMALL CHEMICAL BUSINESSES Ν. Η. Giragosian, Program Chair SUNDAY AFTERNOON 3:30—Division Business Meeting. Biotechnology of Bioactive Fibers cosponsored with Cellulose, Paper & Textile Division (see page 73)

MONDAY MORNING Hilton Riverside Grand Salon A6, 1st Floor

9:00—1. Intellectual property overview. G. M. Julian-Arnold 9:40—2. How to successfully establish a bio technology company for genetic testing in Louisiana. S. Sinah, A. H. Montgomery 10:20—3. Catalytically inactive enzymes for bacterial diagnostics. R. A. Laine, B. C. Zhu, W. J. Lo 11:00—Intermission. 11:10—4. St. Charles Pharmaceuticals Inc.: A start-up company. N. G. Bazan 11:50—5. Enhanced processing and/or re covery of natural and bioproducts. J. K. Smith Biotechnology of Bioactive Fibers cosponsored with Cellulose, Paper & Textile Division (see page 73)

MONDAY AFTERNOON

* I • *


•


: ·

•


Hilton Riverside Grand Salon A6, 1st Floor


Biotechnology

E. A. Nalley, Organizer, Presiding 1:25—Introductory Remarks. 1:30—1. Women in chemistry. N. M. Roscher 2:00—2. Women at Penn: Is there a glass ceiling? M. M. Joullie 2:30—3. So, you think you are going to work as . . . Adventures of an industrial re searcher. F. Wood-Black 3:00—Intermission. 3:10—4. All professional chemists do not have Ph.Ds. S. Blaylock 3:40—5. Glass ceiling: Cracking, but still there. L. J. Powell



Ν. Η. Giragosian, Presiding 8:00-10:30 22. Reporter molecules for Formasan termite infestation. G. Henderson, J. Chen, R. A. Laine

Hilton Riverside Grand Salon A6, 1st Floor Chemical Information Resources for Small Business Cosponsored with Division of Chemical Information

MONDAY AFTERNOON

Is the Glass Ceiling Still There? Women in Chemistry Cosponsored with Younger Chemists Committee and Women Chemists Committee

2:50—8. Cryopreservation of genetic materi al from animals. R. S. Denniston, B. C. Reggio 3:30—Intermission. 3:40—9. Use of calibrated membranes for preparation and biological activity en hancement of polysaccharides. J. R. Ver cellotti, S. V. Vercellotti 4:20—10. Employment and intellectual prop erty issues. G. M. Julian-Arnold

TUESDAY MORNING

S. Vercellotti, Organizer, Presiding

M Semicrystalline Polymers in Memory of Andrew Keller Engineering Aspects of Semicrystalline Polymers

2:00—288. Structure-property relationships of semicrystalline ethylene-styrene interpolymers (ESI). M. J . Guest, Y. W. Cheung, J. M. Martin 2:30—289. Highly oriented polyethylene films. P. Brant 3:00—290. Effects of processing on the structure and properties of poly(ethylene terephthalate) and poly(ethylene naphthalene-2,6-dicarboxylate). M. R. Tant, M. Ε. Stewart, S. Weinhold, V. Κ. Long, A. J. Hill

Sci-Mix

Biotechnology


Β. Β. Sauer,


S. Vercellotti, Presiding 1:30—6. Practical aspects for the develop ment of silica-based, reversed-phase ana lytical methods for polypeptides. M. K. Li, P. Kostel 2:10—7. Natural pathogens of laboratory mice and rats and their potential effects on your research. D. G. Baker

Ν. Η. Giragosian, Organizer, Presiding 9:00—Introductory Remarks. 9:10—11. Information needs of the small chemical businessperson. R. Walde 9:45—12. Industry information: When you need it now! M. E. Peyton 10:15—Intermission. 10:30—13. Information age: The death of a salesman. G. A. Austin 11:00—14. Information needs of the small chemical business. J. A. Ernst 11:30—15. Professional liability and other in surance needs of consultants and smallbusiness owners. J. A. Whittle, Ε. Ε. Cas tro, G. J. Rorke 12:00—16. How the small chemical busi nessperson can profit from the SBIR pro gram and other government sources. D. Senich Carbohydrate Vaccines and Biotechnology cosponsored with Division of Carbohydrate Chemistry (see page 72)

TUESDAY AFTERNOON Hilton Riverside Grand Salon A6, 1st Floor True Stories of Small Chemical Businesses

Ν. Η. Giragosian, Organizer, Presiding 2:00—Introductory Remarks. 2:15—17. Inhibin-based immunopharmaceutical that enhances egg lay in domestic fowl and its economic importance. D. G. Satterlee, G. G. Cadd, W. C. Fioretti 2:45—18. Construction, expression, and testing of inhibin-based immunopharmaceuticals. G. G. Cadd, D. G. Satterlee, W. C. Fioretti 3:15—Intermission. 3:30—19. STC Catalysts Inc.: An example of how technology transfer can work for you. G. M. Wood 4:00—20. Safe Corr Inc. Κ. Ε. Jackson 4:30—21. Autoimmune Technologies Inc.: The history of the firm. R. B. Wilson Biotechnology and Society in the New Millennium cosponsored with Younger Chemists Committee (see page 63)

THURSDAY AFTERNOON Biotechnology in Medicine cosponsored with Division of Medicinal Chemistry (see page 109)


JULY 26, 1999 C&EN 141

final program - C&EN Global Enterprise - ACS Publications - American

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