MRI: Acquisition of a Single Crystal X-ray Diffractometer to Support Research from Fundamental Chemistry to Functional Materials and Biomedical Applications

该奖项由主要研究仪器和化学研究仪器计划以及刺激竞争性研究的既定计划（EPSCoR）支持。堪萨斯州立大学正在购买一台单晶X射线衍射仪，以支持Christer Aakeroy教授及其同事Duy Hua和Stefan Bossmann。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，包括键距和键角。 衍射仪还提供关于分子相对于相邻分子的空间排列的准确信息。该研究可能影响许多领域，包括有机和无机化学，材料化学和生物化学。该仪器是化学和生物化学以及该机构其他部门的本科生和研究生的教学以及研究和研究培训的组成部分。这一工具所推动的科学有可能通过开发新材料来解决环境污染问题，并开发新催化剂来改善商品和工业化学品的合成，从而对社会产生影响。此外，该仪器还为当地学生提供直接的研究经验，并为堪萨斯卫斯理大学和堪萨斯大学提供资源。颁发X射线衍射仪的目的是加强各级的研究和教育。通过确定具有生物医学意义的小分子结构和将可改性金属有机框架转化为仿生催化功能材料的起始材料，该仪器所实现的科学提供了相关的社会效益。该仪器用于研究硫属元素键和探索无环烷烃的碳氢键氧化的区域化学。此外，研究人员还受益于研究土壤中小分子和营养物质和污染物转化的能力。该衍射仪还用于了解染料脱色过氧化物酶的分子机制。该奖项反映了NSF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 as well as the Established Program to Stimulate Competitive Research (EPSCoR). Kansas State University is acquiring a single crystal X-ray diffractometer to support Professor Christer Aakeroy and colleagues Duy Hua and Stefan Bossmann. 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. A diffractometer also provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The research may 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 undergraduate and graduate students in chemistry and biochemistry as well other departments at this institution. The science enabled by this instrument has the potential to impact society through the development of new materials to address environmental pollution and new catalysts to improve the synthesis of commodity and industrial chemicals. In addition, the instrumentation provides direct research experience to local students and serves as a resource to Kansas Wesleyan University and the University of Kansas. The award of the X-ray diffractometer is aimed at enhancing research and education at all levels. The science enabled by this instrument provides relevant societal benefits through the determination of structures of small molecules with biomedical implications and starting materials for the conversion of modifiable-metal-organic frameworks into biomimetic catalytically functional materials. The instrumentation is used to investigate chalcogen bonds and explore regiochemistry of carbon-hydrogen bond oxidation of acyclic alkanes. In addition, researchers benefit from the ability to examine small-molecule and nutrient and contaminant transformations in soil. The diffractometer is also used to understand molecular mechanisms of dye-decolorizing peroxidases.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.