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

该研究由物理化学项目和生物物理项目共同支持，发展了x射线吸收光谱的理论和应用，用于选定金属蛋白的结构表征。这些研究将有助于阐明金属中心与相关蛋白的结构-功能关系的一般原理。金属蛋白中金属原子的配位和电子环境将作为氧化还原状态和底物与抑制剂结合的函数进行探讨。此外，一些高价血红素-铁蛋白系统将被表征，以确定在具有铁-氧单元和相关组成物的状态下发生的结构范围。将进行理论和实验工作，以增强从x射线吸收边缘光谱研究中提取结构信息的能力。

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.