Biological X-ray Absorption Spectroscopy Applications …：生物X射线吸收光谱的应用…_精品.pptVIP

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Biological X-ray Absorption Spectroscopy Applications …：生物X射线吸收光谱的应用…_精品.ppt

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Biological X-ray Absorption Spectroscopy Applications …：生物X射线吸收光谱的应用…_精品

Graham N. George Graham George / Ingrid Pickering Group * Graham N. George The Stanford Synchrotron Radiation Laboratory is a national user facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. The SSRL Structural Molecular Biology Program is supported by the Department of Energy, Office of Biological and Environmental Research, and by the National Institutes of Health, National Center for Research Resources, Biomedical Technology Program. The National Institutes of Health GM57375 Acknowledgements * Graham N. George Spectroscopy at low temperatures ! As of Summer 2003, Graham George Ingrid Pickering Canada Research Chairs in X-ray Absorption Spectroscopy and Molecular Environmental Science at University of Saskatchewan, home of the Canadian Light Source Future Directions… * Graham N. George X-ray Absorption Spectroscopy of Molybdenum Enzymes Graham N. George * Graham N. George Overview Strengths and Limitations of X-ray Absorption Spectroscopy. XAS of DMSO reductase product binding. Future Developments – High resolution EXAFS spectroscopy of sulfite oxidase. Combined approach – use EXAFS spectroscopy and Density Functional Theory. * Graham N. George X-ray Absorption Spectroscopy EXAFS (Extended X-ray Absorption Spectroscopy) oscillations in X-ray absorption Gives a Radial Structure. Examine Fourier transform – peaks occur at inter-atomic distances (usually not interpreted directly). Fit theoretical model to EXAFS spectra. Modern ab initio codes (e.g. FEFF) are very accurate – little requirement for standards. * Graham N. George X-ray Absorption Spectroscopy – Strengths and Limitations Examines all of a particular element in a sample. Can examine any phase (solids, solutions etc.). Accurate bond-lengths (better than ?0.02 ?). Approximate coordination numbers atomic number (?15%). Oxidation state information from near-edge (often only relative). Poor distance resolution ΔR≈π/2k – gene