MRI: Acquisition of a 400 MHz Nuclear Magnetic Resonance (NMR) Spectrometer for Chemistry and Energy Research and Education at the University of Pennsylvania

该奖项由主要研究仪器和化学研究仪器项目支持。宾夕法尼亚大学的Karen Goldberg教授及其同事Gary Molander， Marisa Kozlowski和Daniel Mindiola获得了一台400兆赫的核磁共振（NMR）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，核磁共振波谱学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。该仪器对几个机构产生了积极影响，对宾夕法尼亚大学校园内众多学生和博士后研究人员的培训至关重要；化学实验类本科学生；本科主修化学和瓦格洛斯能源研究综合项目（VIPER）。此外，宾夕法尼亚大学和费城学区之间的现有合作伙伴关系正在为中学教师举办专业发展研讨会，主题是核磁共振及其在科学研究中的应用。在这些研讨会和“虚拟实地考察”中开发的课堂材料向高中生介绍核磁共振，与下一代物理科学标准保持一致。该光谱仪的颁发旨在加强各级的研究和教育。它特别有助于研究过渡金属配合物与氧的反应，以及开发含有大量季中心的天然产物和有机材料的合成路线。该光谱仪被用于研究金属配体多键催化转化的配合物，并用于开发不对称交叉偶联反应的新方法。此外，它还有利于流动生物有机和动态生物聚合物系统的研究，以及用于生物传感器和气体储存系统的氙结合宿主分子的设计。该仪器在设计具有生物功能的非生物系统以及开发用于蛋白质标记的小型荧光非天然氨基酸探针和猝灭剂方面也是必不可少的。该仪器还为研究稀土金属和锕系元素配合物的配位/有机金属化学和催化作用的研究人员以及研究由氧化还原活性大环配体结合的金属簇的反应性的研究人员提供服务，这些配体设计用于模拟金属表面。最后，光谱仪对于开发用于过渡金属催化反应的二亚砜配体也是必不可少的。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。

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Professor Karen Goldberg from University of Pennsylvania and colleagues Gary Molander, Marisa Kozlowski and Daniel Mindiola have acquired a 400 MHz nuclear magnetic resonance (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 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 and is critical to the training of numerous students and postdoctoral researchers across the Penn campus; undergraduate students in chemistry laboratory courses; and undergraduate majors in Chemistry and the Vagelos Integrated Program in Energy Research (VIPER). In addition, existing partnerships between Penn and the School District of Philadelphia are being leveraged to hold professional development workshops for secondary school teachers on the topic of NMR and its use in scientific research. Classroom materials developed in these workshops and "virtual field trips" introduce high school students to NMR, in alignment with the Next Generation Science Standards for Physical Science.The award of this spectrometer is aimed at enhancing research and education at all levels. It especially aids researchers investigating the reactions of transition metal complexes with oxygen and those developing synthetic routes to natural products and organic materials containing large numbers of quaternary centers. The spectrometer is being used in studies of complexes with metal-ligand multiple bonds for catalytic transformations, and for the development of new methods for asymmetric cross-coupling reactions. In addition, it benefits studies of fluxional bioorganic and dynamic biopolymer systems and the design of xenon-binding host molecules for use as biosensors and gas storage systems. The instrumentation is also essential in designing nonbiological systems that exhibit biological functions and for the development of small, fluorescent unnatural amino acid probes and quenchers for protein labelling. The instrument also serves researchers investigating the coordination/organometallic chemistry and catalysis of rare earth metal and actinide complexes and those studying the reactivity of metal clusters bound by redox-active macrocyclic ligands designed to mimic a metallic surface,. Finally, the spectrometer is also indispensable for the development of disulfoxide ligands for use in transition metal catalyzed reactions.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.