2 nd Penn State Bioinorganic Workshop - May 31 st June 9 th 2012

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1 Thursday May 31 2 nd Penn State Bioinorganic Workshop - May 31 st June 9 th pm Registration and reception Arboretum (see map) Friday June 1 9:00 10:30 Principles of coordination chemistry 100 Berg Auditorium 11:00 12:30 Principles of quantum chemistry 100 Berg Auditorium 2:00 3:30 EPR spectroscopy 100 Berg Auditorium KV Lakshmi, Rensselaer Polytech Institute 4:00 5:30 Pulse EPR spectroscopy: ENDOR/ESEEM/DEER 100 Berg Auditorium Stefan Stoll, University of Washington Saturday June 2 9:00 10:30 Computation of spectroscopic parameters 100 Berg Auditorium 11:00 12:30 Mössbauer spectroscopy 100 Berg Auditorium Eckard Münck, Carnegie Mellon University 2:00 3:30 X-ray absorption spectroscopy 100 Berg Auditorium Serena DeBeer, Max Planck Institute for Bioinorganic Chemistry 4:00 5:30 MCD spectroscopy 100 Berg Auditorium Nicolai Lehnert, University of Michigan

2 Sunday June 3 9:00 10:30 Resonance Raman spectroscopy 100 Berg Auditorium 11:00 12:30 Principles of molecular biology 100 Berg Auditorium Squire Booker, Penn State University 2:00 3:30 Transient state methods 100 Berg Auditorium Marty Bollinger, Penn State University 4:00 5:30 X-ray crystallography 100 Berg Auditorium Amie Boal, Northwestern University Monday June 4 9:00 10:30 Protein electrochemistry 101 Thomas Sean Elliott, Boston University 11:00 12:30 Mass spectrometry 101 Thomas Jeffrey Agar, Brandeis University 2:00 3:30 Electron transfer in biology 101 Thomas John Golbeck, Penn State University 4:00 5:30 Deuterium isotope effects as mechanistic probes 101 Thomas Sharon Hammes-Schiffer & Marty Bollinger, Penn State University

3 Tuesday June 5 8:30 10:30 Experiments in small groups 1 (see personal schedule and map) 10:45 12:45 Experiments in small groups 2 (see personal schedule and map) 2:00 4:00 Experiments in small groups 3 (see personal schedule and map) 4:15 6:15 Experiments in small groups 4 (see personal schedule and map) Wednesday June 6 8:30 10:30 Experiments in small groups 5 (see personal schedule and map) 10:45 12:45 Experiments in small groups 6 (see personal schedule and map) 2:00 4:00 Experiments in small groups 7 (see personal schedule and map) 4:15 6:15 Experiments in small groups 8 (see personal schedule and map) Thursday June 7 8:30 10:30 Experiments in small groups 9 (see personal schedule and map) 10:45 12:45 Experiments in small groups 10 (see personal schedule and map) 12:45 2:00 Brown Bag Lunch 102 Chemistry (lunch will be provided, first come, first serve) Spectroscopic Studies of Novel Fe(V)=O Centers Katlyn Meier, Carnegie Mellon University 2:00 4:00 Poster session Willaman bridge (Chemistry Bldg) 4:00 Softball & catered dinner from Clems BBQ Sunset Park (see map)

4 Friday June 8 8:30 10:30 Experiments in small groups 11 (see personal schedule and map) 10:45 12:45 Experiments in small groups 12 (see personal schedule and map) 12:45 2:00 Brown Bag Lunch 102 Chemistry (lunch will be provided, first come, first serve) Using EasySpin Stefan Stoll, University of Washington Student talks, session 1 Session chair: Marty Bollinger 101 Thomas 2:00 2:30 Small Molecule Activation Measured Using X-ray Emission Spectroscopy Chris Pollock, Max-Planck Institute for Bioinorganic Chemistry 2:30 3:00 Cytochrome c as a double bond detector Yang Lv, Princeton University 3:00 3:30 Computational Mn X-Ray Absorption and Emission Spectroscopy on S 2 State Models of the Oxygen Evolving Complex and Related Model Complexes Vera Krewald, Max-Planck Institute for Bioinorganic Chemistry 4:00 4:30 O 2 -Evolving Chlorite Dismutase as a Tool for Studying O 2 -Utilizing Enzymes Laura Dassama, Penn State University 4:30 5:00 Multistep electron hopping via tryptophan in Re-modified Pseudomonas aeruginosa azurin Kana Takematsu, Caltech 5:00 5:30 Resonance Raman Evidence for Cysteine Persulfide-Ligated [2Fe-2S] Clusters in O 2 - Exposed FNR: Implications for the Mechanism of FNR O 2 -Sensing and the Assembly or Repair of Biological 4[Fe-4S] Clusters Bo Zhang, University of Georgia

5 Saturday June 9 Student talks, session 2 Session chair: Squire Booker 101 Thomas 9:00 9:30 Designing Heterobinuclear Metalloenzymes: Exploring the Roles of Non-Covalent Interactions in Conferring and Fine-tuning Enzymatic Activities Parisa Hosseinzadeh, University of Illinois 9:30 10:00 Synthesis, Characterization, and Reactivity of a Series of Structurally-Analogous Manganese(III)-Alkylperoxo Complexes Michael Coggins, University of Washington 10:00 10:30 The MitoNEET [2Fe-2S] Cluster: An Electrochemical and Structural Investigation of Proton-Dependence Daniel Bak, Boston University 11:00 11:30 Molecular Hydrogen Catalysts studied by multifrequency EPR spectroscopy and DFT calculations Jens Niklas, Argonne National Lab 11:30 12:00 Characterization of the Nitric Oxide Reductase Mechanism of Flavo-Diiron Proteins Jonathan Caranto, University of San Antonio 12:00 12:30 Detection, Kinetics and Redox Properties of the Highly Reactive APO Compound I from a Novel Heme-Thiolate Fungal Peroxygenase Xiaoshi Wang, Princeton University 12:30 Concluding remarks

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