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.

该奖项得到了主要的研究工具和化学研究工具计划的支持。来自维拉诺瓦大学的凯文·敏伯（Kevin Minbiole）教授和同事罗伯特·吉利亚诺（Robert Giuliano），迪安娜·祖布里斯（Deanna Zubris），艾米·埃格勒（Aimee Eggler）和梅西学院（Mercy College）的托马斯·乌梅尔·格维尼德（Thomas Umile Gwynedd）已收购了500 MHz NMR光谱仪。该光谱仪允许在各种领域进行研究，例如加速具有重要经济意义的化学反应的领域，并允许研究生物学相关的物种。通常，核磁共振（NMR）光谱是化学家可用于阐明分子结构的最强大工具之一。它用于识别未知物质，表征分子内原子的特定排列，并研究溶液中分子或固态中分子之间相互作用的动力学。对于正在进行边境研究的化学家来说，获得最先进的NMR光谱仪至关重要。该工具对参与宾夕法尼亚州东南部高等教育财团的几个机构产生了积极影响。在课堂活动中有充分记录的利用率也是积极的。包括另一家机构（Mercy College）的Co-Pi是与其他机构合作的承诺。NMR光谱仪的奖励旨在增强各级研究和教育。 它尤其有助于鉴定自然产物结构以及两亲物的快速，深入的结构表征，从而改善结构活性。该仪器还用于充分表征在抗生素和细胞表面甘氨酸中发现的4-氨基糖，以及在真菌毒素中发现的糖基和糖基氰化物，以及确认外科酮的结构。此外，这对于表征海绵衍生的NRF2激活剂的合成类似物以及对磷酸盐缓冲盐水中可氧化二苯酚的结构变化的全面表征。光谱仪有益于确定所购买的天然产物的痕量纯度以及对原子转移自由基聚合和机械评估的顺磁铁配合物（催化剂）的表征。这对于含有多阵行第四纪铵化合物的聚合物的表征也至关重要。该奖项反映了NSF的法定任务，并且使用基金会的知识分子优点和更广泛的影响审查标准，被认为值得通过评估来提供支持。

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.