MRI: Acquisition of a Single Crystal X-Ray Diffractometer for Structure Determination and Diffuse Scattering on Small Molecules, Macromolecules, and Materials

该奖项由主要研究仪器和化学研究仪器项目支持。阿拉巴马大学塔斯卡卢萨分校的Elizabeth Papish教授及其同事Kevin Shaughnessy， Paul Rupar， Jack Dunkle和Jared Allred获得了一台配备高分辨率探测器的双源单晶衍射仪。一般来说，x射线衍射仪可以精确测量分子的完整三维结构，包括键距和角度，并提供有关分子相对于邻近分子的空间排列的准确信息。这里描述的研究影响许多领域，包括有机和无机化学，材料化学和生物化学。该仪器是该机构化学和生物化学研究生和本科生教学、研究和研究训练的一个组成部分。学生参与化学和蛋白质研究。这一资源也被邻近的几所主要本科院校和历史上的黑人学院和大学（HBCUs）所利用。颁发衍射仪的目的是为了加强各级的研究和教育。它尤其影响固体材料和新型聚合物的表征，以利用太阳能和漫射x射线散射的研究，以确定局部结构的变化如何导致宏观性质。该仪器还用于研究单分散小纳米分子的合成以及二氧化碳还原和交叉偶联催化剂的设计。衍射仪有利于生物大分子的研究，以了解基因表达和抗生素耐药性。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Elizabeth Papish from University of Alabama Tuscaloosa and colleagues Kevin Shaughnessy, Paul Rupar, Jack Dunkle and Jared Allred have acquired a dual source single crystal diffractometer equipped with a high resolution detector. In general, an X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The studies described here impact many areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument is an integral part of teaching as well as research and research training of graduate and undergraduate students in chemistry and biochemistry at this institution. Students are involved in chemical and protein research. The resource is also utilized by several neighboring primarily undergraduate institutions and historically black colleges and universities (HBCUs). The award of the diffractometer is aimed at enhancing research and education at all levels. It especially impacts the characterization of solid materials and new polymers to harness solar energy and studies of diffuse X-ray scattering to determine how local changes in structure lead to macroscopic properties. The instrumentation is also used for studies following the syntheses of monodisperse small nanomolecules and the design of catalysts for carbon dioxide reduction and cross-coupling. The diffractometer benefits studies of biological macromolecules to understand gene expression and antibiotic resistance.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.