| SUNDAY |
| 4:00 pm - 9:00 pm | Arrival and Check-in |
| 5:00 pm | Reception (Poster Room) |
| 6:00 pm | Dinner |
| 7:30 pm - 7:40 pm | WELCOMING REMARKS |
| 7:40 pm - 9:30 pm | ISOTOPIC ANALYSIS |
| Discussion Leader: Alexander Van Hook (Univ Tennessee) |
| 7:40 pm - 8:15 pm | Marilyn L. Fogel (Carnegie Inst Washington)
"Explosion of Stable Isotope Studies to Tackle Ecological Problems" |
| 8:15 pm - 8:25 pm | Discussion |
| 8:25 pm - 9:00 pm | David M. Perrin (UBC Vancouver)
"Arylfluoroborates and Alkylfluorosilicates as Potential PET Imaging Agents: High Yielding Aqueous Biomolecular 18F-Labeling" |
| 9:00 pm - 9:10 pm | Discussion |
| 9:10 pm - 9:25 pm | Poster Talk: Martin Miller (British Antarctic Survey)
"New Insights to Oxygen Three-Isotope Distributions on the Earth, from High Precision Measurements on Antarctic Precipitation and Eclogitic Garnets" |
| 9:25 pm - 9:30 pm | Discussion |
| MONDAY |
| 7:30 am - 8:30 am | Breakfast |
| 9:00 am - 12:30 pm | ORGANIC REACTIONS |
| Discussion Leader: Daniel A. Singleton (Texas A&M Univ) |
| 9:00 am - 9:35 am | Miguel Garcia-Garibay (Univ Calif Los Angeles)
"Secondary Alpha Isotope Effects of Deuterium Transfer Reactions by Quantum Mechanical Tunneling: Extraordinary Sensitivity to Barrier Height and Width" |
| 9:35 am - 9:50 am | Discussion |
| 9:50 am - 10:25 am | Coffee Break / Group Photo (10:15 am) |
| 10:25 am - 11:00 am | John E. Baldwin (Syracuse Univ)
"Stereochemical Studies of Thermal [1,3] Carbon Sigmatropic Shifts Shown by Simple Deuterium-Labeled Hydrocarbons" |
| 11:00 am - 11:15 am | Discussion |
| 11:15 am - 11:50 am | Weston Thatcher Borden (Univ North Texas)
"Tunneling by Hydrogen and by Carbon in Organic Reactions and How Tunneling Affects Kinetic Isotope Effects" |
| 11:50 am - 12:05 pm | Discussion |
| 12:05 pm - 12:20 pm | Poster Talk: Alvan Hengge (Utah State Univ)
"Mechanism of Phosphotriester Hydrolysis by Pyrazolylborate Zinc Hydroxide Complex" |
| 12:20 pm - 12:30 pm | Discussion |
| 12:30 pm | Lunch |
| 1:30 pm - 4:00 pm | Free Time |
| 4:00 pm - 6:00 pm | Poster Session |
| 6:00 pm | Dinner |
| 7:30 pm - 9:30 pm | HYDROGEN BONDING |
| Discussion Leader: Hans Limbach (Free Univ Berlin) |
| 7:30 pm - 8:05 pm | Andy C. LiWang (Texas A&M Univ)
"Through-Space Deuterium Isotope Shifts Reveal Differences Between RNA and DNA Hydrogen Bonds" |
| 8:05 pm - 8:20 pm | Discussion |
| 8:20 pm - 8:55 pm | Janez Mavri (National Inst of Chem Slovenia)
"Simulation of Nuclear Quantum Effects in the Systems of Biological Interest" |
| 8:55 pm - 9:10 pm | Discussion |
| 9:10 pm - 9:25 pm | Poster Talk: Poul Erik Hansen (Roskilde Univ)
"Deuterium Isotope Effects through Intramolecular Hydrogen Bonds" |
| 9:25 pm - 9:30 pm | Discussion |
| TUESDAY |
| 7:30 am - 8:30 am | Breakfast |
| 9:00 am - 12:30 pm | ORGANOMETALLIC CHEMISTRY |
| Discussion Leader: Klaus Theopold (Univ Delaware) |
| 9:00 am - 9:35 am | Ged Parkin (Columbia Univ)
"Deuterium Isotope Effects Pertaining to (i) the Interaction of C-H and H-H Bonds with Transition Metal Centers and (ii) N-H...S Hydrogen Bonds in Metal Thiolates" |
| 9:35 am - 9:50 am | Discussion |
| 9:50 am - 10:05 am | Poster Talk: Jorge Pavon (Texas A&M Univ)
"Intrinsic Isotope Effects on Benzylic Hydroxylation by the Aromatic Amino Acid Hydroxylases: Probing the Reactivities of the Iron Centers, Evidence for Hydrogen Tunneling and Similar Transition State Structures" |
| 10:05 am - 10:15 am | Discussion |
| 10:15 am - 10:45 am | Coffee Break |
| 10:45 am - 11:20 am | Charles P. Casey (Univ Wisconsin)
"Isotope Effects in Elucidation of New Catalytic Hydrogenation Mechanisms" |
| 11:20 am - 11:35 am | Discussion |
| 11:35 am - 12:10 pm | Guy Lloyd-Jones (Univ Bristol)
"Isotopic Desymmetrisation in the Study of Organometallic Reactions" |
| 12:10 pm - 12:25 pm | Discussion |
| 12:30 pm | Lunch |
| 1:30 pm - 4:00 pm | Free Time |
| 4:00 pm - 6:00 pm | Poster Session |
| 6:00 pm | Dinner |
| 7:30 pm - 9:30 pm | ENZYME MECHANISMS |
| Discussion Leader: David N. Silverman (Univ Florida) |
| 7:30 pm - 8:05 pm | Vernon Anderson (Case Western Reserve)
"Novel Methods to Measure Nucleophile Isotope Effects" |
| 8:05 pm - 8:20 pm | Discussion |
| 8:20 pm - 8:55 pm | Paul F. Cook (Univ Oklahoma)
"Mechanism of the 6-Phoshogluconate Dehydrogenase-Catalyzed Oxidative Decarboxylation Reaction" |
| 8:55 pm - 9:10 pm | Discussion |
| 9:10 pm - 9:25 pm | Poster Talk: Lin Wang (Univ Iowa)
"The Effects of Altered Dynamics on the Chemical Step of Dihydrofolate Reductase" |
| 9:25 pm - 9:30 pm | Discussion |
| WEDNESDAY |
| 7:30 am - 8:30 am | Breakfast |
| 9:00 am - 12:30 pm | GAS-PHASE CHEMISTRY |
| Discussion Leader: Rudolph A. Marcus (Calif Inst Technology) |
| 9:00 am - 9:35 am | Steven Kass (Univ Minnesota)
"Zwitterions in the Gas Phase: How They Can Be Probed Via Hydrogen-Deuterium Exchange Processes" |
| 9:35 am - 9:50 am | Discussion |
| 9:50 am - 10:05 am | Poster Talk: Dexter Northrop (Univ Wisconsin)
"Effect of Pressure on a Heavy Atom Isotope Effect" |
| 10:05 am - 10:15 am | Discussion |
| 10:15 am - 10:45 am | Coffee Break |
| 10:45 am - 11:20 am | Helmut Schwarz (Berlin)
"Keto-Enol Tautomerism and Related Reactions of Isolated Molecules Revisited: An Intersection of Experiments and Computational Studies" |
| 11:20 am - 11:35 am | Discussion |
| 11:35 am - 12:10 pm | Mark H. Thiemans (Univ Calif San Diego)
"Mass-Indpendent Isotope Effects: Recent Advances in Physical Chemistry, Climate Science, Mars, and the Origin of Life on Earth" |
| 12:10 pm - 12:25 pm | Discussion |
| 12:30 pm | Lunch |
| 1:30 pm - 4:00 pm | Free Time |
| 4:00 pm - 6:00 pm | Poster Session |
| 6:00 pm | Dinner |
| 7:00 pm - 7:30 pm | Business Meeting |
| (Nominations for the next Vice Chair; Fill out Conference Evaluation Forms; Discuss future Site & Scheduling preferences) |
| 7:30 pm - 9:30 pm | STRUCTURE AND FUNCTION OF BIOMOLECULES |
| Discussion Leader: Amnon Kohen (Univ Iowa) |
| 7:30 pm - 8:05 pm | William Bachovchin (Tufts Univ)
"Serine Proteases: Template or Mechanical Device?" |
| 8:05 pm - 8:20 pm | Discussion |
| 8:20 pm - 8:55 pm | Dean A. Myles (Oak Ridge National Lab)
"Neutron Structure and Dynamics of H/D-labelled Proteins" |
| 8:55 pm - 9:10 pm | Discussion |
| 9:10 pm - 9:25 pm | Poster Talk: Nigel Richards (Univ Florida)
"Identifying the Functional Role of Glu-348 in the Glutamine-Dependent Asparagine Synthetase from Escherichia coli Using 18O Isotopic Labeling Experiments" |
| 9:25 pm - 9:30 pm | Discussion |
| THURSDAY |
| 7:30 am - 8:30 am | Breakfast |
| 9:00 am - 12:30 pm | PROTON TRANSFER |
| Discussion Leader: Piotr Paneth (Univ Lodz) |
| 9:00 am - 9:35 am | Thomas J. Meyer (Univ North Carolina)
"H/D Kinetic Isotope Effects in Coupled Electron-Proton Transfer" |
| 9:35 am - 9:50 am | Discussion |
| 9:50 am - 10:05 am | Poster Talk: Ehud Pines (Ben-Gurion Univ Of Negev)
"The Isotope Effect in Sequential Proton Transfer Through Water Bridges in Acid-Base Reactions" |
| 10:05 am - 10:15 am | Discussion |
| 10:15 am - 10:45 am | Coffee Break |
| 10:45 am - 11:20 am | Jose M. Lluch (Barcelona)
"On the Origin of the Kinetic Isotope Effects in Enzyme-Catalyzed Reactions. A Variational Transition State Theory Study Including Multidimensional Tunneling" |
| 11:20 am - 11:35 am | Discussion |
| 11:35 am - 12:10 pm | J.T. Hynes (Univ Colorado/ENC Paris)
"A Nontraditional View of Kinetic Isotope Effects" |
| 12:10 pm - 12:25 pm | Discussion |
| 12:30 pm | Lunch |
| 1:30 pm - 4:00 pm | Free Time |
| 4:00 pm - 6:00 pm | Poster Session |
| 6:00 pm | Dinner |
| 7:30 pm - 9:30 pm | PROTEIN FOLDING AND DYNAMICS |
| Discussion Leader: John P. Richard (Univ Buffalo) |
| 7:30 pm - 8:05 pm | S. Walter Englander (Univ Pennsylvania)
"H/D/T Exchange in Protein Folding and Dynamics" |
| 8:05 pm - 8:20 pm | Discussion |
| 8:20 pm - 8:55 pm | Tobin R. Sosnick (Univ Chicago)
"D/H Amide Kinetic Isotope Effects Reveal When Hydrogen Bonds Form During Protein Folding" |
| 8:55 pm - 9:10 pm | Discussion |
| 9:10 pm - 9:25 pm | Poster Talk: Chris Cheatum (Univ Of Iowa)
"Developing Time Resolved Spectroscopic Probes of Intermolecular Interactions: From Solvent Isotope Effects to Enzyme Dynamics" |
| 9:25 pm - 9:30 pm | Discussion |
| FRIDAY |
| 7:30 am - 8:30 am | Breakfast |
| 9:00 am | Depart |
