SUNDAY |
4:00 pm - 8:00 pm | Arrival and Check-in (Office Closed 6:00 pm - 7:45 pm) |
6:00 pm | Dinner |
7:30 pm - 7:40 pm | Welcome / Introductory Comments by GRC Site Staff |
7:40 pm - 9:30 pm | Physical Aspects of Isotope Effects (Session in Honor of Richard (Dick) Schowen) |
7:40 pm - 8:10 pm | Discussion Leader: Daniel Quinn (University of Iowa)
"Presentation of Prof. Schowen and His Contributions" |
8:10 pm - 8:40 pm | Andy Bennett (Simon Fraser University)
"The Utility of NMR Spectroscopy for the Measurement of Multiple Kinetic Isotope Effects on Enzymatic Reactions"
|
8:40 pm - 8:50 pm | Discussion |
8:50 pm - 9:20 pm | Ian Williams (Bath University)
"Isotope-Effect Calculations in the Supramolecular Age"
|
9:20 pm - 9:30 pm | Discussion |
MONDAY |
7:30 am - 8:30 am | Breakfast |
8:30 am | Group Photo |
9:00 am - 12:30 pm | From Methods Development to Medicine (Session in Memory of W.W. (Mo) Cleland) |
9:00 am - 9:30 am | Discussion Leader: Paul Cook (University of Oklahoma)
"'Mo' Cleland - Theory and Application of Isotope Effects to Enzyme Reactions" |
9:30 am - 10:00 am | John Blanchard (Albert Einstein College of Medicine)
"Solvent Isotope-Induced Equilibrium Perturbation by Isocitrate Lyase"
|
10:00 am - 10:10 am | Discussion |
10:10 am | Coffee Break |
10:40 am - 11:10 am | Alvan Hengge (Utah State University)
"There, and Back Again: Closing the Loop in Protein-Tyrosine Phosphatases"
|
11:10 am - 11:20 am | Discussion |
11:20 am - 11:50 am | Tonya Zeczycki (Brody School of Medicine)
"Unmasking the Last Mysteries of Pyruvate Carboxylase Catalysis"
|
11:50 am - 12:00 pm | Discussion |
12:00 pm - 12:20 pm | Patrick Frantom (The University of Alabama)
"Using Kinetic Isotope Effects to Investigate Allosteric Mechanisms" |
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 | Analytical and Mechanistic Studies of Isotope Effects |
| Discussion Leader: Anthony Sauve (Weill Cornell Medical College) |
7:30 pm - 8:00 pm | Tom Brenna (Cornell University)
"Progress and Promise Toward Automated Intramolecular High Precision IRMS"
|
8:00 pm - 8:10 pm | Discussion |
8:10 pm - 8:40 pm | Andrew Murkin (University at Buffalo)
"New Approaches for Measurement of Kinetic Isotope Effects and Their Application to Enzyme Mechanisms"
|
8:40 pm - 8:50 pm | Discussion |
8:50 pm - 9:05 pm | Yi Liu (The Johns Hopkins University)
"Isotopic Probing of Tyrosyl Radical-Mediated Dioxygenase Activity in Cyclooxygenase-2" |
9:05 pm - 9:10 pm | Discussion |
9:10 pm - 9:25 pm | Kevin Francis (University of Iowa)
"Preservation of Protein Dynamics in Dihydrofolate Reductase Evolution" |
9:25 pm - 9:30 pm | Discussion |
TUESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Isotope Effects in Organic Reactions |
| Discussion Leader: Matt Meyer (University of California at Merced) |
9:00 am - 9:25 am | Tom Driver (University of Illinois at Chicago)
"Exploiting the Mechanism of C-H Bond Amination of Aryl Azides to Trigger [1,2] Migrations" |
9:25 am - 9:35 am | Discussion |
9:35 am - 9:50 am | Anat Milo (University of Utah)
"KIE Inspired Parameters for Describing and Predicting Catalytic Selectivity" |
9:50 am - 9:55 am | Discussion |
9:55 am - 10:10 am | Shuhuai Xiang (University of California at Merced)
"A General Approach to Mechanism in Multi-Product Reactions: Product-Specific Intermolecular KIEs" |
10:10 am - 10:15 am | Discussion |
10:15 am | Coffee Break |
10:50 am - 11:15 am | Vy Dong (University of California at Irvine)
"Grasping Hydroacylation via Isotope Handles" |
11:15 am - 11:25 am | Discussion |
11:25 am - 11:50 am | Dan O'Leary (Pomona College)
"On the Role of Entropy and Enthalpy in Conformational Isotope Effects" |
11:50 am - 12:00 pm | Discussion |
12:00 pm - 12:25 pm | Charles Perrin (University of California at San Diego)
"Reactivity, Selectivity, and Kinetic Isotope Effects in Quenching of a Naked Aryl Anion" |
12:25 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 | Enigmatic Observations with Isotope Effects |
| Discussion Leader: Poul Erik Hansen (Roskilde University) |
7:30 pm - 8:00 pm | Mikhail Shchepinov (Retrotope, Inc.)
"Non-Enzymatic Oxidation of Deuterated Polyunsaturated Fatty Acids"
|
8:00 pm - 8:10 pm | Discussion |
8:10 pm - 8:40 pm | Efthimios Skoulakis (Biomedical Sciences Research Centre 'Alexander Fleming')
"Smelling Vibrations"
|
8:40 pm - 8:50 pm | Discussion |
8:50 pm - 9:05 pm | Lei Li (Indiana University-Purdue University Indianapolis)
"A Steric Deuterium Isotope Effect During Spore Photoproduct Formation" |
9:05 pm - 9:10 pm | Discussion |
9:10 pm - 9:25 pm | Bruce Palfey (University of Michigan)
"Asymmetric Solvent Isotope Effects - A Transient Kinetic Approach for Probing Exchangeable Protons"
|
9:25 pm - 9:30 pm | Discussion |
WEDNESDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Isotopes in Environmental Studies |
| Discussion Leader: Stephanie Spahr (Swiss Federal Institute of Aquatic Science - Eawag) |
9:00 am - 9:30 am | Barbara Sherwood Lollar (University of Toronto)
"Insights into Enzymatic Transformation of Organic Contaminants Using CSIA" |
9:30 am - 9:40 am | Discussion |
9:40 am - 9:55 am | Faina Gelman (Geological Survey of Israel)
"Bromine and Carbon Isotope Effects During Photolysis of Brominated Phenols" |
9:55 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:00 am | Thomas Hofstetter (ETH)
"Kinetic Isotope Effects of Nitroarene Oxidation and Reduction: New Proxies for Assessing the Biodegradation of Nitroaromatic Explosives"
|
11:00 am - 11:10 am | Discussion |
11:10 am - 11:40 am | Bridget Bergquist (University of Toronto)
"The Odds and Evens of Mercury Isotopes: Mechanisms of Mass Independent Fractionation and Implications for Understanding Hg Biogeochemistry"
|
11:40 am - 11:50 am | Discussion |
11:50 am - 12:20 pm | Boris van Breukelen (University Amsterdam)
"Model-Based Interpretation of Isotope Data for Quantification of Pollutant Transformation in the 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 |
7:00 pm - 7:30 pm | Business Meeting |
| Nominations for the Next Vice Chair; Fill in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair |
7:30 pm - 9:30 pm | Theory and Calculations of Isotope Effects |
| Discussion Leader: Steve Schwartz (University of Arizona) |
7:30 pm - 8:00 pm | Dan Major (Bar-Ilan University)
"Good and Bad Transition States and Misbehaving Kinetic Isotope Effects"
|
8:00 pm - 8:10 pm | Discussion |
8:10 pm - 8:40 pm | Darrin York (Rutgers University, Bush campus)
"Calculations of Kinetic Isotope Effects as a Tool to Probe Phosphoryl Transfer Reactions Catalyzed by Enzymes and Ribozymes"
|
8:40 pm - 8:50 pm | Discussion |
8:50 pm - 9:05 pm | Michael Dzierlenga (University of Arizona)
"Determination of Energy Barriers in Yeast Alcohol Dehydrogenase Through Transition Path Sampling Methods" |
9:05 pm - 9:10 pm | Discussion |
9:10 pm - 9:25 pm | Lukasz Szatkowski (Texas A&M)
"Chloromethane Dehalogenation by Isobacteriochlorin Transition Metal Complexes" |
9:25 pm - 9:30 pm | Discussion |
THURSDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am - 12:30 pm | Heavy Enzymes |
| Discussion Leader: Holly Ellis (Auburn University) |
9:00 am - 9:30 am | Vern Schramm (Albert Einstein College of Medicine)
"Enzymatic Transition States, Lifetimes, Protein Motion and Heavy Enzymes"
|
9:30 am - 9:40 am | Discussion |
9:40 am - 9:55 am | Zhen Wang (Albert Einstein College of Medicine)
"Investigating the Dynamics-Function Relationship in Enzymes: When Dihydrofolate Reductase is Heavier" |
9:55 am - 10:00 am | Discussion |
10:00 am | Coffee Break |
10:30 am - 11:00 am | Sam Hay (University of Manchester)
"Isotope Probes of Tunneling and Dynamics at Ensemble, Single Molecule and Ultrafast Levels"
|
11:00 am - 11:10 am | Discussion |
11:10 am - 11:40 am | Michael Toney (University of California at Davis)
"Heavy Enzyme Kinetic Isotope Effects on Proton Transfer in Alanine Racemase"
|
11:40 am - 11:50 am | Discussion |
11:50 am - 12:05 pm | Ignacio Tunon (University of Valencia)
"Electrostatic Catalytic Effects in Heavy and Light Versions of Purine Nucleoside Phosphorylase" |
12:05 pm - 12:10 pm | Discussion |
12:10 pm - 12:25 pm | Vicente Moliner (University Jaume I)
"Role of Protein Motions to Catalysis. Computational Studies on Wild Type and Heavy Isotope Labelled DHFRs" |
12:25 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 | Frontiers in Enzyme Mechanisms |
| Discussion Leader: Ronald Kluger (University of Toronto) |
7:30 pm - 8:00 pm | Judith Klinman (University of California at Berkeley)
"Shifting Sands in Our Understanding of Enzymatic Methyl Transfer"
|
8:00 pm - 8:10 pm | Discussion |
8:10 pm - 8:50 pm | Hung-wen (Ben) Liu and Mark Ruszczycky (University of Texas, Austin)
"Mechanistic Investigation of a Potential Diels-Alderase: Alpha-Secondary Deuterium Isotope Effects on an Enzyme Catalyzed [4+2]-Cycloaddition"
|
8:50 pm - 9:00 pm | Discussion |
9:00 pm - 9:30 pm | Concluding Remarks |
FRIDAY |
7:30 am - 8:30 am | Breakfast |
9:00 am | Departure |