MRI: Acquisition of an X-Ray Diffractometer for Next Generation Functional Molecules and Materials

MRI：购买用于下一代功能分子和材料的 X 射线衍射仪

• 批准号: 1828064
• 负责人: Lisa McElwee-White
• 金额: $ 28万
• 依托单位: University of Florida
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-08-01 至 2021-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1828064&HistoricalAwards=false
• 关键词: MRI; Acquisition; Ray; Diffractometer; Next

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Lisa McElwee-White from University of Florida and colleagues George Christou, Khalil Abboud, Ronald Castellano and Adam Veige have acquired a dual source single crystal X-ray diffractometer. 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 enroll in a graduate crystallography course and the many informal classes that introduce modern automated systems and advanced software packages for structure solution and refinement. Moreover, undergraduate students who register to do research in the X-ray lab learn current best practices for crystal structure determination.The proposal is aimed at enhancing research and education at all levels. It especially impacts the design and syntheses of precursors for deposition of inorganic materials and the determination of mesoscale order in organic films via hydrogen bond directed topology. The instrument is also used in the identification of transition metal clusters that behave as single-molecule magnets and aids in characterizing products of click synthesis of metallopolymers and highly emissive materials. The diffractometer is also useful in the search for anticancer agents from marine cyanobacteria. This instrument also serves investigators developing strategies for the functionalization of amines and preparing chiral biaryl heterocycles as ligands for enantioselective catalysis. The instrumentation is also used in the study of chemical probes to determine the structure and mechanism of nonribosomal peptide biosynthesis.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.

该奖项得到了主要的研究工具和化学研究工具计划的支持。佛罗里达大学的丽莎·麦克尔维·怀特（Lisa McElwee-White）教授和同事乔治·克里斯托（George Christou），哈利尔·阿布布（Khalil Abboud），罗纳德·卡斯特拉诺（Ronald Castellano）和亚当·韦格（Adam Veige）获得了双源单晶X射线衍射仪。通常，X射线衍射仪可以准确，精确地测量分子的完整三维结构，包括键距离和角度，并提供有关分子相对于相邻分子的空间排列的准确信息。这里描述的研究影响了许多领域，包括有机和无机化学，材料化学和生物化学。该工具是该机构化学和生物化学研究生和本科生的教学和研究培训的组成部分。学生参加研究生晶体学课程以及许多非正式课程，这些课程介绍了现代自动化系统和高级软件包，以进行结构解决方案和改进。此外，注册在X射线实验室进行研究的本科生学习了当前的晶体结构确定最佳实践。该建议旨在增强各级研究和教育。它特别影响了前体的设计和合成，以通过氢键通过氢键定向拓扑来确定有机膜中的中尺度秩序。该仪器还用于鉴定过渡金属簇，这些金属簇的作用是单分子磁体，并有助于表征金属聚合物和高度发射材料的点击综合产物。衍射仪在寻找海洋蓝细菌的抗癌药物方面也很有用。该仪器还为研究人员提供了开发胺功能化策略并准备手性屈服杂环作为对映选择性催化的配体的策略。该仪器还用于化学探针研究，以确定非核糖体肽生物合成的结构和机制。该奖项反映了NSF的法定任务，并被认为是通过基金会的智力优点和更广泛影响的审查标准通过评估来获得支持的。

项目成果

Tuning Supramolecular Polymer Assembly through Stereoelectronic Interactions

• DOI: 10.1021/jacs.1c05522
• 发表时间: 2021-08-04
• 期刊: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
• 影响因子: 15
• 作者: Henderson, Will R.;Liu, Guancen;Castellano, Ronald K.
• 通讯作者: Castellano, Ronald K.

Extending the family of reduced [Mn12O12(O2CR)16(H2O)x]n− complexes, and their sensitivity to environmental factors

扩展还原[Mn12O12(O2CR)16(H2O)x]nâ配合物家族及其对环境因素的敏感性

• DOI: 10.1016/j.poly.2020.114968
• 发表时间: 2021
• 期刊: Polyhedron
• 影响因子: 2.6
• 作者: Soler, Monica;Mahalay, Preet;Wernsdorfer, Wolfgang;Lubert-Perquel, Daphné;Huffman, John C.;Abboud, Khalil A.;Hill, Stephen;Christou, George
• 通讯作者: Christou, George

Unusual Mn5 cluster with a ‘twisted bow-tie’ topology and MnIIMnIII2MnIV2 oxidation states: Synthesis, structure, and magnetic properties

• DOI: 10.1016/j.poly.2021.115141
• 发表时间: 2021-03
• 期刊: Polyhedron
• 影响因子: 2.6
• 作者: Ashlyn R. Hale;Philippa King;K. Abboud;G. Christou

Fungicidal Properties of Some Novel Trifluoromethylphenyl Amides

• DOI: 10.1002/cbdv.201800618
• 发表时间: 2019-05
• 期刊: Chemistry & Biodiversity
• 影响因子: 2.9
• 作者: M. Tsikolia;U. Bernier;D. Wedge;N. Tabanca;K. Abboud;K. Linthicum

Heteromeric Neuronal Nicotinic Acetylcholine Receptors with Mutant β Subunits Acquire Sensitivity to α7-Selective Positive Allosteric Modulators.

异聚神经元烟碱乙酰胆碱受体与突变β 亚基获得对α7 选择性正变构调节剂的敏感性。

• DOI: 10.1124/jpet.119.259499
• 发表时间: 2019
• 期刊: The Journal of pharmacology and experimental therapeutics
• 作者: Stokes,Clare;Garai,Sumanta;Kulkarni,AbhijitR;Cantwell,LucasN;Noviello,ColleenM;Hibbs,RyanE;Horenstein,NicoleA;Abboud,KhalilA;Thakur,GaneshA;Papke,RogerL
• 通讯作者: Papke,RogerL