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

MRI：获取高强度单晶 X 射线衍射仪

• 批准号: 1626172
• 负责人: Frank McDonald
• 金额: $ 32.25万
• 依托单位: Emory University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-09-01 至 2019-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1626172&HistoricalAwards=false
• 关键词: MRI; Acquisition; Intensity; Single; Crystal

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.

凭借主要研究仪器 (MRI) 和化学研究仪器和设施 (CRIF) 项目的这一奖项，埃默里大学的 Frank McDonald 教授及其同事 Lanny Liebeskind、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。瞄准小晶体的 X 射线束将产生衍射图案，对其进行分析以确定其基本原子结构。这些知识对于理解其特性和开发改进至关重要。 X 射线强度和聚焦能力的进步使得现代衍射仪（例如高强度衍射仪）对于研究至关重要。 X 射线结构数据的应用范围广泛，从化学到生物学、材料和医学，再到开发更好的药物、电子设备、生物修复过程催化剂以及了解酶的机制等应用。衍射仪用于学生研究活动和教学。它是培养下一代科学家的通用工具。该奖项旨在加强各级研究和教育，特别是在以下领域：（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行过渡金属的氧化催化剂； (c) 探索广泛用于防腐蚀等应用的多金属氧酸盐（POM）的基本特性； (d)制备脱水反应催化剂； (e) 合成材料的结构特征； (f) 确定生物活性材料的立体化学构型； (g)确定电极表面上分子催化剂的构象和分子取向； (g) 研究肽纳米管取向和 (h) 研究生物活性配位化合物的电荷密度。

项目成果

Rh(II)-Catalyzed Monocyclopropanation of Pyrroles and Its Application to the Synthesis Pharmaceutically Relevant Compounds

• DOI: 10.1021/acs.orglett.9b02250
• 发表时间: 2019-08-02
• 期刊: ORGANIC LETTERS
• 影响因子: 5.2
• 作者: Fu, Jiantao;Wurzer, Nikolai;Davies, Huw M. L.
• 通讯作者: Davies, Huw M. L.

Copper(II) Acetate-Induced Oxidation of Hydrazones to Diazo Compounds under Flow Conditions Followed by Dirhodium-Catalyzed Enantioselective Cyclopropanation Reactions

乙酸铜 (II) 在流动条件下诱导腙氧化为重氮化合物，然后进行铑催化的对映选择性环丙烷化反应

• DOI: 10.1021/acs.orglett.1c01580
• 发表时间: 2021
• 期刊: Organic Letters
• 影响因子: 5.2
• 作者: Wei, Bo;Hatridge, Taylor A.;Jones, Christopher W.;Davies, Huw M.
• 通讯作者: Davies, Huw M.