| Program | ||
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| Friday evening, June 28, 2002 (Lawrence Lecture Hall, 1000 McPherson Laboratory) | ||
| 7:00 - 7:10 pm | Welcoming Remarks | |
| Dynamics in Molecular Rearrangements | ||
| Session Chair: Wes Borden (University of Washington) | ||
| 7:10 - 8:10 pm |
Barry Carpenter
(Cornell University) "The Influence of Nonstatistical Dynamics on the Interpretation of Reaction Mechanisms" |
|
| 8:10 - 9:10 pm |
Chuck Doubleday
(Columbia University) "Dynamics of Hydrocarbon Isomerizations" |
|
| 9:10 - ?:?? pm | Social Mixer on 1st floor McPherson Laboratory | |
| Saturday, June 29, 2002 (Lawrence Lecture Hall, 1000 McPherson Laboratory) | ||
| Protein Dynamics/Tunneling | ||
| Session Chair: Barry Carpenter (Cornell University) | ||
| 8:30 - 9:30 am |
Dick Schowen
(University of Kansas) "Protein Motion and Enzyme Catalysis" |
|
| 9:30 - 10:30 am |
Judith Klinman
(University of California-Berkeley) "Tunneling and Dynamics in Enzyme Reactions" |
|
| 10:30 - 10:45 am | Break | |
| 10:45 - 11:45 am |
Sharon Hammes-Schiffer
(Pennsylvania State University) "Molecular Dynamics Studies of the Relation between Enzyme Motion and Activity" |
|
| 12:00 - 1:30 pm | Box lunch (provided by conference) | |
| 1:30 - 3:00 pm | Poster Session | |
| Mechanistic Investigations in Synthesis and Synthetic Method Development | ||
| Session Chair: T. V. RajanBabu (Ohio State University) | ||
| 3:00 - 4:00 pm |
Dave Hughes
(Merck Pharmaceuticals) "Mechanistic Studies of the Molybdenum-Catalyzed Asymmetric Alkylation" |
|
| 4:00 - 5:00 pm |
Ian Davies
(Merck Pharmaceuticals) "A Study of Reactive Intermediates in Catalytic and Stoichiometric Processes" |
|
| 5:00 - 7:00 pm | Dinner (not provided by conference) | |
| Diradicals | ||
| Session Chair: Gideon Fraenkel (Ohio State University) | ||
| 7:10 - 8:10 pm |
Wes Borden
(University of Washington) "B3LYP Calculations of Substituent Effects on Degenerate Cope Rearrangements --Interpretations and Predictions of Experimental Results" |
|
| 8:10 - 9:10 pm |
Wolfrom Sander
(Ruhr-Universitat Bochum) "Matrix Isolation of Benzynes and Related Compounds" |
|
| 9:10 - ?:?? pm | Social Mixer on 1st floor McPherson Laboratory | |
| Sunday, June 30, 2002 (Lawrence Lecture Hall, 1000 McPherson Laboratory) | ||
| Gas-Phase Mechanistic Chemistry | ||
| Session Chair: Paul Wenthold (Purdue University) | ||
| 8:30 - 9:30 am |
Frank Turecek
(University of Washington) "Transient Intermediates Relevant to Electron Capture Dissociation" |
|
| 9:30 - 10:30 am |
Vicki Wysocki
(University of Arizona) "The Use of H/D Exchange, Ion Mobility, and Fragmentation Studies to Determine Unimolecular Dissociation Mechanisms of Peptides" |
|
| 10:30 - 10:45 am | Break | |
| 10:45 - 11:45 am |
Evan Williams
(University of California-Berkeley) "Zwitterions, Salt Bridges, and the Role of Solvent" |
|
| 12:00 - 1:30 pm | Box lunch (provided by conference) | |
| Bartlett session: Transition State Theory and Alternative Models | ||
| Session Chair: Dick Schowen (University of Kansas) | ||
| 2:00 - 2:10 pm |
Dick Schowen
(University of Kansas) Introduction and Orientation |
|
| Transition-state theory and alternatives for small-molecule reactions | ||
| 2:10 - 2:25 pm |
Chuck Doubleday
(Columbia University) |
|
| 2:25 - 2:40 pm |
Barry Carpenter
(Cornell University) |
|
| 2:40 - 3:20 pm |
Open discussion
(1 - 2 transparencies per person, at most) |
|
| Transition-state theory and alternatives for complex biochemical systems | ||
| 3:20 - 3:40 pm |
Ross Stein
(Harvard Center for Neurodegeneration and Repair) "Ensembles of transition states" |
|
| 3:40 - 3:50 pm |
Judith Klinman
(University of California-Berkeley) |
|
| 3:50 - 4:20 pm |
Open discussion
(1 - 2 transparencies per person, at most) |
|
| 4:20 - 4:30 pm |
Floyd Romesberg
(Scripps Research Institute) "Protein dynamics" |
|
| 5:00 - 7:30 pm |
Dinner (not provided by conference) |
|
| 7:30 - 9:00 pm | Poster Session #2 | |
| 9:10 - ?:?? pm | Social Mixer on 1st floor McPherson Laboratory | |
| Monday, July 1, 2002 (Chemical Abstracts Service) | ||
| 8:30 - 9:00 am | Bus transportation to Chemical Abstracts Service (CAS) | |
| 9:15 - 9:30 am | Sign in at CAS and Welcome by Robert Massie, Director & Chief Executive Officer, CAS | |
| Reaction Mechanisms of Organometallic Compounds | ||
| Session Chair: Bruce Bursten (Ohio State University) | ||
| 9:30 - 10:30 am |
Charles Casey
(University of Wisconsin-Madison) "Hydroxy-Cyclopentadienyl Metal Hydrides are Homogeneous Hydrogenation Catalysts for Polar Molecules that Deliver a Hydride and a Proton Simultaneously" |
|
| 10:30 - 10:45 am | Break | |
| 10:45 - 11:45 am |
William Tolman
(University of Minnesota) "Which Happens First? O-O Bond Breaking vs. Hydrocarbon Oxidation in Reactions of Metalloenzyme Model Complexes" |
|
| 11:45 - 12:45 pm |
Peter Chen
(ETH Zurich) "Organometallic Chemistry by Electrospray Ionization Tandem Mass Spectrometry" |
|
| 1:00 - 2:30 pm | Lunch provided by the conference in the CAS cafeteria | |
| Mechanism and Design of Bioactive Agents | ||
| Session Chair: Robert Coleman (Ohio State University) | ||
| 2:30 - 3:30 pm |
Robert Williams
(Colorado State University) "Mechanistic Studies on Synthetic and Natural DNA-Reactive Alkaloids" |
|
| 3:30 - 4:30 pm | History and new products/content from CAS | |
| 4:30 - 6:00 pm |
Robert Rich
(ACS - Petroleum Research Fund) Workshop on "Writing Excellent Research Proposals" |
|
| 4:30 - 6:00 pm | CAS - Demonstration of SciFinder | |
| 4:30 - 6:00 pm | CAS - Demonstration of CASREACT | |
| 6:00 - 8:00 pm | Conference banquet and entertainment | |
| 8:30 - 9:30 pm | Bus transportation from CAS | |