Application of X-Ray Absorption Spectroscopy to Study Structure in Biological and Chemical Systems

这项研究由物理化学联合支持， 计划和生物物理学计划，发展理论和 X射线吸收光谱法的应用 所选金属蛋白的结构表征。这些 研究将有助于阐明一般的 结构-功能关系的基本原则 金属中心与相关的蛋白质。 金属的配位与电子环境 金属蛋白中的原子将被探测为氧化还原的函数 状态以及底物和抑制剂结合。另外还有按 一些高价血红素-铁蛋白系统将被 其特征在于，为了限定结构的范围， 发生在具有铁氧单元和相关的状态中 组合物的理论和实验工作将在 以增强提取结构的能力， X射线吸收边光谱研究的信息。

This research, jointly supported by the Physical Chemistry Program and the Biophysics Program, develops the theory and application of X-ray absorption spectroscopy directed to the structural characterization of selected metalloproteins. These studies will contribute to the elucidation of the general principles underlying the structure-function relationships of metal centers with the associated protein. The coordination and the electronic environment of the metal atoms in metalloproteins will be probed as a function of redox state and of substrate and inhibitor binding. In addition, a number of high-valent heme-iron protein systems will be characterized in order to define the range of structures that occur in states that have iron-oxo units and related compositions. Theoretical and experimental work will be performed to enhance the ability to extract structural information from X-ray absorption edge spectroscopic studies.