Mid-scale RI-2 Consortium: Network for Advanced NMR

中型 RI-2 联盟：高级 NMR 网络

• 批准号: 1946970
• 负责人: Jeffrey Hoch
• 金额: $ 3972.33万
• 依托单位: University of Connecticut Health Center
• 依托单位国家: 美国
• 项目类别: Cooperative Agreement
• 财政年份: 2021
• 资助国家: 美国
• 起止时间: 2021-07-01 至 2025-06-30
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1946970&HistoricalAwards=false
• 关键词: Mid; scale; RI; Consortium; Network

Nuclear magnetic resonance spectroscopy (NMR) is an essential tool for research into molecular structures and dynamics. This award will support the establishment of a geographically distributed Network for Advanced NMR (NAN) in the U.S. to provide ultra-high field NMR spectrometers to allow users to tackle important and diverse scientific problems and to educate and train the next generation of scientists and engineers. Scientific research areas enabled by these systems cover a wide range of problems in structural biology, dynamics and function of different biological systems from molecules to whole cells and tissues, complex mixtures, metabolomics, and natural products. Non-biological applications include, but are not limited to, amorphous materials, battery components, pharmaceutical ingredients, nanomaterials, surface coatings, and catalysts. User support and training will be provided through community outreach and an extensive “KnowledgeBase” of online tutorials, protocols, NMR pulse sequences, and additional technical materials. Remote users at any institution will be able to bring or send their samples to take advantage of NAN resources. Targeted outreach to undergraduate and minority serving institutions will promote broadening participation in the NMR research community. In combination, the enhanced cyberinfrastructure and new instruments will help to address a national deficit in high-field NMR capacity. Training and enabling more researchers and new transformative research will serve the NSF mission priority to advance all fields of science and engineering.The NAN will operate by a hub and spoke model that dynamically adapts to meet evolving community needs. The hub at the University of Connecticut will facilitate access to state-of-the-art NMR instrumentation, experimental protocols, and experts by US researchers. Existing cyberinfrastructure will be leveraged and expanded to serve the storage, analysis, and data-reuse needs for a large community of researchers. The project also includes plans to purchase two 1.1 GHz NMR spectrometers for installation at the NAN spoke locations. One system will be installed at University of Wisconsin for solid-state NMR research. The second system will be installed at the University of Georgia and be dedicated to solution NMR studies. Additional locations will be added as the NAN expands to incorporate more member locations with existing instrumentation in the U.S. Significant efforts will be directed toward the advancement of NMR technology, including improvements for spectral sensitivity, resolution, relaxation dynamics, indirect detection, sampling, machine learning and other methods. Once established, the NAN will operate with tiered support levels to both enable and support U.S. researchers seeking to use the new 1.1 Ghz high-field NMR systems or one of the 21 other NMR 300-900 MHz instruments available at other locations. Improved and distributed utilization of this large complement of NMR systems is a key benefit of the NAN.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.

核磁共振波谱 (NMR) 是研究分子结构和动力学的重要工具。该奖项将支持在美国建立一个地理分布的高级核磁共振网络（NAN），提供超高场核磁共振波谱仪，使用户能够解决重要且多样化的科学问题，并教育和培训下一代科学家和工程师。这些系统所支持的科学研究领域涵盖了从分子到整个细胞和组织、复杂混合物、代谢组学和天然产物的不同生物系统的结构生物学、动力学和功能方面的广泛问题。非生物应用包括但不限于无定形材料、电池组件、药物成分、纳米材料、表面涂层和催化剂。用户支持和培训将通过社区外展和在线教程、协议、NMR 脉冲序列和其他技术材料的广泛“知识库”来提供。 任何机构的远程用户都可以携带或发送样品以利用 NAN 资源。有针对性地向本科生和少数族裔服务机构进行推广将促进扩大 NMR 研究界的参与。增强的网络基础设施和新仪器相结合将有助于解决国家高场核磁共振能力的不足。培训和支持更多的研究人员以及新的变革性研究将服务于 NSF 推进所有科学和工程领域的优先任务。NAN 将通过中心辐射模型运行，动态适应以满足不断变化的社区需求。康涅狄格大学的中心将方便美国研究人员接触最先进的核磁共振仪器、实验方案和专家。现有的网络基础设施将得到利用和扩展，以满足大型研究人员社区的存储、分析和数据重用需求。该项目还包括计划购买两台 1.1 GHz NMR 波谱仪安装在 NAN 辐条位置。威斯康星大学将安装一套系统，用于固态核磁共振研究。第二个系统将安装在佐治亚大学，专门用于溶液核磁共振研究。随着 NAN 的扩展，将更多的成员地点与美国现有的仪器结合起来，将增加更多的地点。重大努力将集中于核磁共振技术的进步，包括光谱灵敏度、分辨率、弛豫动力学、间接检测、采样、机器学习和其他方法的改进。 一旦建立，NAN 将以分层支持级别运作，以启用和支持寻求使用新的 1.1 Ghz 高场 NMR 系统或其他地点提供的 21 种其他 NMR 300-900 MHz 仪器之一的美国研究人员。核磁共振系统的这一庞大补充的改进和分布式利用是 NAN 的一个主要优势。该奖项反映了 NSF 的法定使命，并且通过使用基金会的智力优点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

SAND: Automated Time-Domain Modeling of NMR Spectra Applied to Metabolite Quantification.

SAND：应用于代谢物定量的 NMR 光谱自动时域建模。

• DOI: 10.1021/acs.analchem.3c03078
• 发表时间: 2024
• 期刊: Analytical chemistry
• 影响因子: 7.4
• 作者: Wu,Yue;Sanati,Omid;Uchimiya,Mario;Krishnamurthy,Krish;Wedell,Jonathan;Hoch,JeffreyC;Edison,ArthurS;Delaglio,Frank
• 通讯作者: Delaglio,Frank