MRI: Acquisition of a High Intensity Single Crystal X-ray Diffractometer

在主要研究仪器(MRI)和化学研究仪器和设施(CRIF)项目的这一奖项下，来自埃默里大学的Frank McDonald教授及其同事Lanny Liebeskin、Craig Hill、Huw Davies和Christopher Scarborough获得了高强度单晶X射线衍射仪。X射线衍射是研究固体材料的原子排列和微观结构的有力工具。对准小晶体的X射线束将产生衍射图，分析该衍射图以确定这种潜在的原子结构。这些知识对于理解它们的特性和改进是非常重要的。X射线强度和聚焦能力的进步使得现代衍射仪，如高强度衍射仪，在研究中必不可少。X射线结构数据的应用范围从化学到生物、材料和医学，到开发更好的药物、电子设备、生物修复过程的催化剂和理解酶的机制等应用。衍射仪用于学生的研究活动和教学。它是培养下一代科学家的通用工具。该奖项旨在加强各级的研究和教育，特别是在下列领域：(A)开发催化剂和表征催化中间体；(B)开发基于具有氧化还原活性配体的第一排过渡金属的氧化催化剂；(C)探索广泛用于防腐等应用的多金属氧酸盐(POMS)的基本性质；(D)制备脱水反应催化剂；(E)对合成材料进行结构表征；(F)确定生物活性物质的立体化学构型；(G)确定分子催化剂在电极表面的构象和分子取向；(G)研究多肽纳米管的取向和(H)研究生物活性配位化合物的电荷密度。

With this award from the Major Research Instrumentation (MRI) and Chemistry Research Instrumentation and Facilities (CRIF) programs, Professor Frank McDonald from Emory University and colleagues Lanny Liebeskind, Craig Hill, Huw Davies and Christopher Scarborough have acquired a high intensity single crystal X-ray diffractometer. X-ray diffraction is a powerful tool to investigate the arrangement of the atoms, the microscopic structure, of solid materials. An X-ray beam aimed at a small crystal will produce a diffraction pattern which is analyzed to determine this underlying atomic structure. This knowledge is fundamental to understanding their properties and developing improvements. Advances in the intensity and ability to focus the X-rays have made modern diffractometers, such as a high intensity diffractometer, essential for research. The applications of X-ray structural data ranges across fields from chemistry to biology, materials and medicine, to applications such as developing better pharmaceuticals, electronic devices, catalysts for bioremediation processes and understanding the mechanisms of enzymes. The diffractometer is used in student research activities as well as instruction. It is a general tool to prepare the next generation of scientists. This award is aimed at enhancing research and education at all levels, especially in areas such as (a) developing catalysts and characterizing catalytic intermediates; (b) developing oxidation catalysts based on first-row transition metals with redox-active ligands; (c) exploring fundamental properties of polyoxometallates (POMs) widely used in applications such as corrosion prevention; (d) preparing catalysts for dehydration reactions; (e) structurally characterizing synthetic materials; (f) determining the stereochemical configuration of biologically active materials; (g) determining conformation and molecular orientation of molecular catalysts on electrode surfaces; (g) studying peptide nanotube orientation and (h) studying charge density of biologically active coordination compounds.