SUNDAY |
2:00 pm - 9:00 pm | Arrival and check-in |
6:00 pm | Dinner |
7:30 pm - 7:35 pm | OPENING OF THE CONFERENCE |
7:35 pm - 9:30 pm | SESSION 1: EQUILIBRIUM ISOTOPE EFFECTS |
| Discussion Leader: Jacob Bigeleisen (SUNY Stony Brook) |
7:35 pm - 7:45 pm | Introduction by Discussion Leader |
7:45 pm - 8:20 pm | Thomas Driesner (ETH Zürich, Switzerland) " The PTX Dependence of Oxygen and Hydogen Isotope Fractionation in High Temperature Aqueous Systems - from Water Structure to the Formation of Giant Ore Deposits" |
8:20 pm - 8:30 pm | Discussion |
8:30 pm - 8:55 pm | François Dehez (Univ. of Nancy, France)
"Theoretical Study of Isotopic Exchange Reaction of Lithium Ion with Crown-Ethers in Ethanol" |
8:55 pm - 9:05 pm | Discussion |
9:05 pm - 9:20 pm | Yuriko Ono (Tokyo Institute of Technology, Japan)
"Calculation and Visualization of the Carbon Isotope Separation Factor for the Carbamate - Carbon Dioxide System" |
9:20 pm - 9:30 pm | Discussion |
MONDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 am | SESSION 2: ISOTOPE EFFECTS ON HYDROGEN BOND STRUCTURE AND DYNAMICS |
| Discussion Leader: Maurice M. Kreevoy (University of Minnesota, Minneapolis) |
9:00 am - 9:10 am | Introduction by Discussion Leader |
9:10 am - 9:45 am | Janet Del Bene (Youngstown State University)
"Anharmonicities, Isotopes, and IR and NMR Properties of Hydrogen-Bonded Complexes" |
9:45 am - 10:00 am | Discussion |
10:00 am - 10:30 am | Conference Photo and Coffee Break |
10:30 am - 11:05 am | Katsutoshi Aoki (Natl. Inst. Adv. Indust. Sci. Techn. Tsukuba, Japan) "Isotope Effects on Bond Symmetrization in Ice at High Pressure" |
11:05 am - 11:20 am | Discussion |
11:20 am - 11:55 am | Dominik Marx (Ruhr Universität Bochum, Germany)
"Tunneling and zero-point motion in high-pressure ice" |
11:55 am - 12:10 am | Discussion |
12:10 pm - 12:20 pm | Richard L. Redington (Lubbock) and Robert L. Sams (Richland) "State-specific spectral doublets in the FTIR spectrum of gaseous tropolone" |
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 | SESSION 3: ISOTOPES IN POLYMERS AND BIOPOLYMERS |
| Discussion Leader: Alexander van Hook (University of Tennessee, Knoxville) |
7:30 pm - 7:40 pm | Introduction by Discussion Leader |
7:40 pm - 8:15 pm | Masatsune Kainosho (Tokyo Metropolitan University, Japan) "Advanced Isotope Labeling Technology for Structural Studies of Larger Proteins" |
8:15 pm - 8:25 pm | Discussion |
8:25 pm - 9:00 pm | Yuri Melnichenko (Oak Ridge National Laboratory)
"Small Angle Neutron Scattering Studies of Isotopically Labelled Polymers: Universal Aspects of Macromolecules In Solutions, Supercritical Fluids, and Blends" |
9:00 pm - 9:10 pm | Discussion |
9:10 pm - 9:20 pm | Floyd Romesberg (The Scripps Research Institute, La Jolla) "Protein dynamics"
|
9:20 pm - 9:30 pm | Discussion |
TUESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 am | SESSION 4: ISOTOPE EFFECTS IN CHEMICAL DYNAMICS |
| Discussion Leader: Max Wolfsberg (UC Irvine) |
9:00 am - 9:10 am | Introduction by Discussion Leader |
9:10 am - 9:45 am | Michael Hippler and Martin Quack (ETH Zürich, Switzerland) "Isotope selective infrared spectroscopy and the tunneling quantum dynamics of stereomutation of chiral molecules " |
9:45 am - 10:00 am | Discussion |
10:00 am - 10:35 am | James D. Ayers and Richard N. Zare (Stanford University) "Isotopic Dependence of Reactive Scattering Resonances"
|
10:35 am - 10:50 am | Discussion |
10:50 am - 11:20 | Coffee Break |
11:20 pm - 11:30 pm | Christof Janssen, Juergen Guenther,
Dieter Krankowsky and Konrad Mauersberger, (Heidelberg) "The complex world of ozone isotopomer formation" |
11:30 am - 11:40 am | Discussion |
11:40 am - 12:15 am | Rudolph A. Marcus (CALTECH, Pasadena)
"Theory of the strange mass-independent and mass-dependent Isotopic Effects in Ozone Formation" |
12:15 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 | SESSION 5: HYDROGEN ISOTOPE EFFECTS IN ORGANIC REACTIONS |
| Discussion Leader: Phil Huskey (Rutgers University Newark) |
7:30 pm - 7:40 pm | Introduction by Discussion Leader |
7:40 pm - 8:15 pm | Emil Roduner (University of Stuttgart, Germany)
"Kinetic Isotope and Solvent Effects in Hydrogen Abstraction Reactions from Carbon by Attacking D, H, and Mu Atoms
|
8:15 pm - 8:30 pm | Discussion |
8:30 pm - 8:50 pm | Ehud Pines (Beer-Sheva, Israel)
"Toward a unified description of the kinetics of strong adiabatic excited-state proton-transfer and their KIE in aqueous solutions"
|
8:50 pm - 9:05 pm | Discussion |
9:05 pm - 9:20 pm | In-Sook Han Lee (Kangwon, Korea)
"Kinetic isotope effects for the reaciton of 3-methyl-2-phenylbenzothiazoline with NAD+ analogues"
|
9:20 pm - 9:30 pm | Discussion |
WEDNESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 am | SESSION 6: THEORY OF HYDROGEN TRANSFER IN CONDENSED PHASES |
| Discussion Leader: Steve Schwartz (Albert Einstein Coll. of Med., New York) |
9:00 am - 9:10 am | Introduction by Discussion Leader |
9:10 am - 9:45 am | Jens Ulstrup (University of Copenhagen, Denmark)
"Proton Transfer and Proton Conductivity in Condensed Matter Environments" |
9:45 am - 10:00 am | Discussion |
10:00 am - 10:35 am | Zorka Smedarchina (Nat. Res. Concil, Ottawa, Canada) "Kinetic Isotope Effects in Multiple Proton Transfers" |
10:35 am - 10:50 am | Discussion |
10:50 am - 11:20 | Coffee Break |
11:20 am - 11:55 am | Robert I. Cukier (Michigan State University, East Lansing) " A Theory to Connect Proton-Coupled Electron-Transfer and Hydrogen-Atom Transfer Reactions" |
11:55 am - 12:10 am | Discussion |
12:10 pm - 12:20 pm | Philip M. Kiefer and J.T:Hynes (Boulder)
"What do kinetic isotope effects tell us about proton transfer reactions in a polar environment" |
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 | SESSION 7: TUNNELING IN ENZYME REACTIONS |
| Discussion Leader: Amnon Kohen (University of Iowa, Iowa City) |
7:30 pm - 7:40 pm | Introduction by Discussion Leader |
7:40 pm - 8:15 pm | Judith Klinman (University of California, Berkeley)
"Hydrogen tunneling as a probe of protein dynamics" |
8:15 pm - 8:25 pm | Discussion |
8:25 pm - 9:00 pm | John Lipscomb (University of Minnesota, Minneapolis)
"Methane monooxygenase - evidence for H-tunneling?" |
9:00 pm - 9:10 pm | Discussion |
9:10 pm - 9:20 pm | Jon K. Rubach, S. Ramaswamy and Bryce V. Plapp (Iowa City) "Tunneling and active site dynamics in catalysis by horse liver alcohol dehydrogenase" |
9:20 pm - 9:30 pm | Discussion |
THURSDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 am | SESSION 8: ISOTOPIC PROBES OF ENZYME MECHANISMS |
| Discussion Leader: David Silverman (University of Florida, Gainesville) |
9:00 am - 9:10 am | Introduction by Discussion Leader |
9:10 am - 9:45 am | Vern L. Schramm (Albert Einstein Coll. of Med., New York) "Binding Isotope Effects; preludes to Transition States" |
9:45 am - 10:00 am | Discussion |
10:00 am - 10:35 am | Paul Fitzpatrik (Texas A&M University, College Station) " Isotopic probes of flavoprotein mechanisms" |
10:35 am - 10:50 am | Discussion |
10:50 am - 11:20 | Coffee Break |
11:20 am - 11:55 am | Piotr Paneth (University of Lodz, Poland)
" Chlorine Kinetic Isotope Effects on the Reactions Catalyzed by Dehalogenases" |
11:55 am - 12:10 am | Discussion |
12:10 pm - 12:20 pm | Dali Liu and Paul F. Cook (Norman, Oklahoma) "Characterizing the K199R mutation of the general acid in the malic enzyme reaction" |
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 | SESSION 9: HYDROGEN BONDING AND SOLVENT ISOTOPE EFFECTS IN ENZYMES |
| Discussion Leader: Albert S. Mildvan (John Hopkins School of Med., Baltimore) |
7:30 pm - 7:40 pm | Introduction by Discussion Leader |
7:40 pm - 8:15 pm | Ildiko M. Kovach (Catholic University of America, Washington) "Short Strong H-bonds at the Active Sites of Cholinesterases" |
8:15 pm - 8:25 pm | Discussion |
8:25 pm - 9:00 pm | David H. T. Harrison (Medical College of Wisconsin)
"Isotopic and Crystallographic Studies of the Mechanism of Methylglyoxal Synthase" |
9:00 pm - 9:10 pm | Discussion |
9:10 pm - 9:20 pm | Laurie A. Reinhardt (University of Wisconsin, Madison), Drazenka Svedruzic, Nigel Richards, W. Wallace Cleland
"13C and 18O isotope effects on the enzymatic reaction of oxalate decarboxylase" |
9:20 pm - 9:30 pm | Discussion |
FRIDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am | Departure |