MRI: Acquisition of a High Temperature and Pressure Solid-state NMR Spectrometer

该奖项支持密苏里州圣路易斯华盛顿大学(WUSTL)纳米研究设施/Jens分子和纳米尺度分析实验室(NRF/Jens Lab)购买、安装和共享最先进的固态核磁共振(ss核磁共振)光谱仪系统。单核磁共振系统能够进行高温高压样品分析，从而为在现实条件下研究广泛的关键环境修复、生物处理和燃料/化学/聚合物制造技术打开了大门。主要研究领域包括：(1)均相和非均相催化，(2)基于膜的分离，(3)聚合物和生物材料的性质，(4)地球化学和生物地球化学系统(如碳封存)。该系统将支持由圣路易斯周围中西部地区多所大学(包括密苏里科技大学、堪萨斯州立大学、堪萨斯大学、圣母大学和俄克拉荷马大学)的研究人员组成的广泛用户基础。核磁共振系统将在推进关键技术领域的基础知识方面发挥关键的连接作用，同时促进多个教育水平的多样性和STEM教育。收购的系统是一台商用Avance NEO 400 MHz核磁共振波谱仪，其独特的设计和配备可以在高温(高达250°C)、高压(在20°C时高达400巴)或高温、磷条件(在250°C下高达225巴)下同时从固体、液体和/或气体分析物中获取原位核磁共振谱。大圣路易斯大都会地区没有具有这些能力的ss核磁共振设施。该光谱仪专为魔角旋转(MAS)固态核磁共振(ss核磁共振)而设计，用于一系列具有核磁共振活性的物种的常规(非原位)核磁共振研究，以及能够在这种高温、高磷条件下同时分析气体、液体和固体的原位MAS ss核磁共振。光谱仪配备了一个大口径磁铁；带有加热器功率升压单元的MAS气动和变温(VT)控制；用于高温实验的VT电堆；以及在高温、高温下进行现场SS核磁共振实验所需的高温MAS探头。访问和行政支持将通过NRF/Jens实验室提供，仪器管理和监督由两个咨询委员会(一个科学咨询委员会和一个操作和管理委员会)协调和支持。该工具将通过基于网络的日程安排系统向内部和外部学术用户以及外部公司用户提供。所有用户将按小时支付使用费，以支持仪器的运行和维护。这种广泛使用的单核磁共振仪器，具有现代化的商业控制台和高T、P能力，将提供前所未有的机会，以(1)熟悉这项技术-对他们的培训和专业发展非常重要，(2)推进用户群体的特定科学和工程研究项目，以及(3)促进专业知识共享和促进新的研究伙伴关系和合作。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

The award supports the acquisition, installation, and shared research application of a state-of- the-art solid-state nuclear magnetic resonance (ssNMR) spectrometer system in the Nano Research Facility/Jens Molecular and Nanoscale Analysis Laboratory (NRF/Jens Lab) at Washington University in St. Louis, Missouri (WUStL). The ssNMR system is capable of high- temperature and high-pressure sample analysis, thus opening the door to the study of a broad range of critical environmental remediation, biological processing, and fuel/chemical/polymer manufacturing technologies under realistic conditions. Primary research areas include: (1) homogeneous and heterogeneous catalysis, (2) membrane-based separations, (3) polymeric and biological materials properties, and (4) geochemical and biogeochemical systems (e.g., carbon sequestration). The system will support a broad user base consisting of researchers at multiple universities in the Midwest region surrounding St Louis (including Missouri Science and Technology, Kansas State University, University of Kansas, University of Notre Dame, and the University of Oklahoma). The NMR system will play a key, connecting role in advancing fundamental knowledge in critical technology areas while promoting diversity and STEM education at multiple educational levels.The acquired system is a commercial AVANCE NEO 400 MHz NMR spectrometer uniquely designed and equipped to acquire in-situ NMR spectra simultaneously from solid, liquid, and/or gas analytes at high-temperatures (up to 250 °C), high-pressures (up to 400 bar at 20 °C), or high-T,P conditions (up to 225 bar at 250 °C). The greater St. Louis metropolitan region does not have an ssNMR facility with these capabilities. The spectrometer is designed for magic-angle spinning (MAS) solid-state NMR (ssNMR) across a range of NMR-active species for conventional (ex-situ) NMR studies and for in-situ MAS ssNMR capable of analyzing simultaneously gases, liquids, and solids under such high-T,P conditions. The spectrometer is equipped with a wide- bore magnet; MAS pneumatic and variable temperature (VT) control with heater power booster units; VT-stack for high-T experiments; and high-T MAS probe required for in-situ ssNMR experiments at high-T,P. Access and administrative support will be provided through the NRF/Jens Lab with instrument management and oversight coordinated and supported by two advisory committees (a Scientific Advisory Committee and an Operations and Management Committee). The instrument will be available to internal and external academic users as well as external corporate users through a web-based scheduling system. All users will pay hourly usage fees to support the operation and maintenance of the instrument. This broadly accessible ssNMR instrument, with its modern commercial console and high-T,P capabilities, will provide unprecedented opportunities to (1) familiarize students with this technology—important for their training and professional development, (2) advance the specific science and engineering research projects of user groups, and (3) facilitate shared expertise and catalyze new research partnerships and collaborations.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.