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

MRI：获取单晶 X 射线衍射仪，用于小分子、大分子和材料的结构测定和漫散射

基本信息

批准号：
1828078
负责人：
Elizabeth Papish
金额：
$ 33.96万
依托单位：
University of Alabama Tuscaloosa
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=1828078&HistoricalAwards=false
关键词：
MRI Acquisition Single Crystal Ray

项目摘要

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.

该奖项由主要研究仪器和化学研究仪器计划支持。来自亚拉巴马塔斯卡卢萨大学的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检测器的双源单晶衍射仪。一般来说，X射线衍射仪允许准确和精确地测量分子的完整三维结构，包括键距和角度，并提供关于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。该仪器是该机构化学和生物化学研究生和本科生教学和研究及研究培训的组成部分。学生参与化学和蛋白质研究。该资源也被几个邻近的主要本科院校和历史上的黑人学院和大学（HBCU）利用。衍射仪的奖项旨在加强各级的研究和教育。它特别影响固体材料和新聚合物的表征，以利用太阳能和漫X射线散射的研究，以确定结构的局部变化如何导致宏观特性。该仪器还用于以下研究：单分散小纳米分子的合成以及用于二氧化碳还原和交叉偶联的催化剂的设计。该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NSF的法定使命，并已被认为是值得通过使用基金会的智力价值和更广泛的影响审查标准进行评估的支持。

项目成果

期刊论文数量（17）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Reinvestigating Catalytic Alcohol Dehydrogenation with an Iridium Dihydroxybipyridine Catalyst

重新研究铱二羟基联吡啶催化剂催化酒精脱氢

DOI：
10.1021/acs.organomet.0c00398
发表时间：
2020
期刊：
Organometallics
影响因子：
2.8
作者：
Yao, Wenzhi;DeRegnaucourt, Alexa R.;Shrewsbury, Emily D.;Loadholt, Kylie H.;Silprakob, Weerachai;Qu, Fengrui;Brewster, Timothy P.;Papish, Elizabeth T.
通讯作者：
Papish, Elizabeth T.

Effect of Aryl Ligand Identity on Catalytic Performance of Trineopentylphosphine Arylpalladium Complexes in N -Arylation Reactions

芳基配体特性对三戊基膦芳基钯配合物 N-芳基化反应催化性能的影响

DOI：
10.1021/acs.organomet.0c00140
发表时间：
2020
期刊：
Organometallics
影响因子：
2.8
作者：
Hu, Huaiyuan;Burlas, Corrie E.;Curley, Sabrina J.;Gruchala, Tomasz;Qu, Fengrui;Shaughnessy, Kevin H.
通讯作者：
Shaughnessy, Kevin H.

Dichloro(ethylenediamine)platinum(II), a water-soluble analog of the antitumor cisplatin, as a heterogeneous catalyst for a stereoselective hydrosilylation of alkynes under neat conditions

DOI：
10.1016/j.tetlet.2020.152300
发表时间：
2020-08
期刊：
Tetrahedron Letters
影响因子：
1.8
作者：
J. Fotie;Mercy Enechojo Agbo;Fengrui Qu;Trevor Tolar
通讯作者：
J. Fotie;Mercy Enechojo Agbo;Fengrui Qu;Trevor Tolar

Structure Function Relationships in Ruthenium Carbon Dioxide Reduction Catalysts with CNC Pincers Containing Donor Groups

DOI：
10.1002/ejic.202000444
发表时间：
2020-07
期刊：
European Journal of Inorganic Chemistry
影响因子：
2.3
作者：
Sanjita Das;Dinesh Nugegoda;Fengrui Qu;Chance M. Boudreaux;Phillip E. Burrow;Matthew T. Figgins;R. W. Lamb;C. E. Webster;J. Delcamp;Elizabeth T. Papish
通讯作者：
Sanjita Das;Dinesh Nugegoda;Fengrui Qu;Chance M. Boudreaux;Phillip E. Burrow;Matthew T. Figgins;R. W. Lamb;C. E. Webster;J. Delcamp;Elizabeth T. Papish

Anhydrous vs Hydrated f-Element Acetate Polymers Dictated by the Stoichiometry of Protic Acidic/Basic Azole Mixtures