MRI: Acquisition of a Single Crystal X-ray Diffractometer to Serve as a Regional Resource

MRI：购买单晶 X 射线衍射仪作为区域资源

• 批准号: 1827313
• 负责人: Kraig Wheeler
• 金额: $ 32.5万
• 依托单位: Whitworth University
• 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: 2018-08-15 至 2021-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1827313&HistoricalAwards=false
• 关键词: MRI; Acquisition; Single; Crystal; ray

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Kraig Wheeler from Whitworth University and colleagues Jamie Manson from Eastern Washington University, Matthew E Cremeens from Gonzaga University and Travis Denton from Eastern Washington University have acquired a single crystal diffractometer. An X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule. This includes bond distances and angles. This 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. In one project, the research targets molecules that may serve as quantum magnets. In a green chemistry approach, catalysts containing iron are being synthesized that can replace other less expensive metals. Chalcones, materials with biological activity beneficial for anti-inflammation, are being studied. The diffractometer is used in a collaborative network to train and to provide undergraduate and graduate students with the principles of crystallography. The following institutions are the main members of the network: Whitworth University, Gonzaga University, Eastern Illinois University, Oakland University, Knox College, Eastern Washington University, and Washington State University. The award is aimed at enhancing research and education at all levels. It especially impacts studies of molecular recognition profiles of quasiracemic materials. Medicinal-relevant chalcones are being investigated as well as the design of small organic molecules as possible pharmaceutical chaperones. The diffractometer is used in structure analyses of iron catalysts supported by alpha-diimine ligands. This instrument also serves projects developing near-infrared active materials. It is used in research to design small molecule inhibitors of cytochrome 450 2A6 that have potential for use in stopping smokingThis 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项目支持。惠特沃斯大学的 Kraig Wheeler 教授和东华盛顿大学的同事 Jamie Manson、冈萨加大学的 Matthew E Cremeens 和东华盛顿大学的 Travis Denton 购买了一台单晶衍射仪。 X 射线衍射仪可以准确、精确地测量分子的完整三维结构。 这包括键距和角度。 这提供了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许多领域，包括有机和无机化学、材料化学和生物化学。 在一个项目中，研究目标是可以充当量子磁铁的分子。 在绿色化学方法中，正在合成含铁催化剂，可以替代其他较便宜的金属。 查尔酮是一种具有抗炎生物活性的物质，目前正在研究中。 该衍射仪用于协作网络中，为本科生和研究生提供晶体学原理的培训和教学。 以下机构是该网络的主要成员：惠特沃斯大学、冈萨加大学、东伊利诺伊大学、奥克兰大学、诺克斯学院、东华盛顿大学和华盛顿州立大学。 该奖项旨在加强各级研究和教育。它尤其影响准外消旋材料的分子识别谱的研究。正在研究与药物相关的查尔酮以及作为可能的药物伴侣的有机小分子的设计。该衍射仪用于 α-二亚胺配体负载的铁催化剂的结构分析。 该仪器还服务于开发近红外活性材料的项目。 它用于设计细胞色素 450 2A6 小分子抑制剂的研究，该抑制剂具有用于戒烟的潜力。该奖项反映了 NSF 的法定使命，并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，被认为值得支持。

项目成果

Enhancing easy-plane anisotropy in bespoke Ni(II) quantum magnets

增强定制 Ni(II) 量子磁体的易平面各向异性

• DOI: 10.1016/j.poly.2020.114379
• 发表时间: 2020-04
• 期刊: Polyhedron
• 影响因子: 2.6
• 作者: Manson, Jamie L.;Manson, Zachary E.;Sargent, Ashley;Villa, Danielle Y.;Etten, Nicole L.;Blackmore, William J.A.;Curley, Samuel P.M.;Williams, Robert C.;Brambleby, Jamie;Goddard, Paul A.;et al
• 通讯作者: et al

Amino acid hydrogen oxalate quasiracemates – sulfur containing side chains

氨基酸草酸氢准外消旋体 — 含硫侧链

• DOI: 10.1039/d1ce01214b
• 发表时间: 2021-11
• 期刊: CrystEngComm
• 影响因子: 3.1
• 作者: Wells, Russell G.;Sahlstrom, Katriel D.;Wheeler, Kraig A.
• 通讯作者: Wheeler, Kraig A.

Amino acid hydrogen oxalate quasiracemates – hydrocarbon side chains

氨基酸草酸氢准外消旋体 — 烃侧链

• DOI: 10.1039/d1ce01213d
• 发表时间: 2021-11
• 期刊: CrystEngComm
• 影响因子: 3.1
• 作者: Wells, Russell G.;Sahlstrom, Katriel D.;Ekelem, Franklin I.;Wheeler, Kraig A.
• 通讯作者: Wheeler, Kraig A.

Synthesis and electronic structure of a mononuclear copper(II) complex supported by tris(2-hydroxyliminopropyl)amine

三(2-羟基亚氨基丙基)胺负载单核铜(II)配合物的合成和电子结构

• DOI: 10.1016/j.poly.2019.114306
• 发表时间: 2020-02-01
• 期刊: Polyhedron
• 影响因子: 2.6
• 作者: Ale;er Roseborough;er;K. Wheeler;M. Hołyńska;S. Stoian
• 通讯作者: S. Stoian

Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides

增加准外消旋体形成的结构边界：4-取代萘酰胺

• DOI: 10.1039/d0ce01331e
• 发表时间: 2024-09-13
• 期刊: CrystEngComm
• 影响因子: 3.1
• 作者: Drew E. Craddock;M. Parks;L. A. Taylor;B. Wagner;M. Ruf;K. Wheeler
• 通讯作者: K. Wheeler