MRI: Acquisition of a 500 MHz Nuclear Magnetic Resonance (NMR) Spectrometer to Enhance Undergraduate Research and Teaching at a Primarily Undergraduate Institution

MRI：采购 500 MHz 核磁共振 (NMR) 波谱仪，以加强本科院校的本科研究和教学

• 批准号: 1827930
• 负责人: Kevin Minbiole
• 金额: $ 51.1万
• 依托单位: Villanova 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: 2018-08-01 至 2021-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1827930&HistoricalAwards=false
• 关键词: MRI; Acquisition; 500; MHz; Nuclear

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Kevin Minbiole from Villanova University and colleagues Robert Giuliano, Deanna Zubris, Aimee Eggler and Thomas Umile Gwynedd from Mercy College have acquired a 500 MHz NMR spectrometer. This spectrometer allows research in a variety of fields such as those that accelerate chemical reactions of significant economic importance, as well as allow study of biologically relevant species. In general, Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful tools available to chemists for the elucidation of the structure of molecules. It is used to identify unknown substances, to characterize specific arrangements of atoms within molecules, and to study the dynamics of interactions between molecules in solution or in the solid state. Access to state-of-the-art NMR spectrometers is essential to chemists who are carrying out frontier research. The instrument positively impacts several institutions that participate in the Southeastern Pennsylvania Consortium for Higher Education. Well-documented utilization in classroom activities is also positive. Inclusion of a co-PI from another institution (Mercy College) is a demonstration of the commitment to partner with other institutions.The award of the NMR spectrometer is aimed at enhancing research and education at all levels. It especially aids in the identification of natural product structures and the rapid and in-depth structural characterization of amphiphiles that lead to improved structure-activity. The instrument is also used to fully characterize 4-amino sugars found in antibiotics and cell-surface glycans and glycosyl cyanides found in fungal toxins as well as in the confirmation of the structure of diplopyrone. In addition, it is essential for the characterization of synthetic analogues of marine sponge-derived Nrf2 activators and for the comprehensive characterization of structure changes in the oxidizable diphenols in phosphate buffered saline. The spectrometer benefits the determination of purity of trace amounts of purchased natural products and the characterization of paramagnetic iron complexes (catalysts) for atom transfer radical polymerization and mechanistic evaluation. It is also essential for the characterization of polymers containing multi-cationic quaternary ammonium compounds.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项目支持。Villanova大学的Kevin Minbiole教授和Mercy学院的同事Robert Giuliano， Deanna Zubris， Aimee Eggler和Thomas Umile Gwynedd获得了一台500 MHz的核磁共振光谱仪。该光谱仪允许在各种领域的研究，如那些加速具有重要经济意义的化学反应，以及允许研究生物相关物种。总的来说，核磁共振（NMR）波谱是化学家用来阐明分子结构的最有力的工具之一。它用于识别未知物质，表征分子内原子的特定排列，以及研究溶液或固体状态下分子之间相互作用的动力学。获得最先进的核磁共振光谱仪是必不可少的化学家谁正在进行前沿研究。该工具对参加宾夕法尼亚东南部高等教育联盟的几所机构产生了积极影响。在课堂活动中的充分利用也是积极的。包括来自其他机构（Mercy学院）的共同pi是与其他机构合作的承诺的证明。核磁共振光谱仪的奖励旨在加强各级的研究和教育。它特别有助于鉴定天然产物结构和快速深入的两亲分子结构表征，从而提高结构活性。该仪器还用于全面表征抗生素中发现的4-氨基糖和真菌毒素中发现的细胞表面聚糖和糖基氰化物，以及用于确认双吡喃酮的结构。此外，这对于表征海洋海绵衍生的Nrf2活化剂的合成类似物以及全面表征磷酸盐缓冲盐水中可氧化二酚的结构变化至关重要。该光谱仪有利于测定购买的微量天然产物的纯度和原子转移自由基聚合顺磁性铁配合物（催化剂）的表征和机理评价。这对于表征含有多阳离子季铵化合物的聚合物也是必不可少的。该奖项反映了美国国家科学基金会的法定使命，并通过使用基金会的知识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

Discovery-Based Bromination of Alcohols: An Organic Chemistry Experiment Supporting Spectroscopic Analysis and Mechanistic Reasoning

基于发现的醇溴化：支持光谱分析和机理推理的有机化学实验

• DOI: 10.1021/acs.jchemed.1c00544
• 发表时间: 2021
• 期刊: Journal of Chemical Education
• 影响因子: 3
• 作者: O’Reilly, Matthew C.;Stoffregen, Stacey A.;Peterson, Karl P.;Maddox, Mitchell P.;Schrank, Cordell
• 通讯作者: Schrank, Cordell

Synthesis of Pyranopyrans Related to Diplopyrone and Evaluation as Antibacterials and Herbicides

• DOI: 10.1021/acs.jafc.0c02564
• 发表时间: 2020-09-16
• 期刊: JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
• 影响因子: 6.1
• 作者: Roireau, Jack H.;Rosano, Robert J.;Giuliano, Robert M.
• 通讯作者: Giuliano, Robert M.

Double BAC and Triple BAC: A Systematic Analysis of the Disinfectant Properties of Multicationic Derivatives of Benzalkonium Chloride (BAC)

双 BAC 和三 BAC：苯扎氯铵 (BAC) 多阳离子衍生物消毒性能的系统分析

• DOI: 10.1002/cmdc.202300018
• 发表时间: 2023
• 期刊: ChemMedChem
• 影响因子: 3.4
• 作者: Toles, Zachary E. A.;Wu, Alice;Sanchez, Christian A.;Michaud, Marina E.;Thierer, Laura M.;Wuest, William M.;Minbiole, Kevin P. C.
• 通讯作者: Minbiole, Kevin P. C.

Trivalent sulfonium compounds (TSCs): Tetrahydrothiophene-based amphiphiles exhibit similar antimicrobial activity to analogous ammonium-based amphiphiles.

• DOI: 10.1016/j.bmcl.2021.127809
• 发表时间: 2021-04-01
• 期刊: Bioorganic & medicinal chemistry letters
• 影响因子: 2.7
• 作者: Feliciano JA;Leitgeb AJ;Schrank CL;Allen RA;Minbiole KPC;Wuest WM;Carden RG
• 通讯作者: Carden RG

Ruthenium complexes with asymmetric hydroxy- and methoxy-substituted bipyridine ligands

具有不对称羟基和甲氧基取代的联吡啶配体的钌配合物

• DOI: 10.1016/j.poly.2021.115300
• 发表时间: 2021
• 期刊: Polyhedron
• 影响因子: 2.6
• 作者: Benson, Kaitlyn R.;Stash, Jaqueline;Moffa, Katherine L.;Schmehl, Russell H.;Dudley, Timothy J.;Paul, Jared J.
• 通讯作者: Paul, Jared J.