MRI: Development of a Mass Spectrometer for Isomer-selective Thermochemical, Structural, and Spectroscopic Characterization of Bimolecular Interactions

MRI：开发用于双分子相互作用异构体选择性热化学、结构和光谱表征的质谱仪

• 批准号: 2215900
• 负责人: Christopher Johnson
• 金额: $ 110.28万
• 依托单位: SUNY at Stony Brook
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2022
• 资助国家: 美国
• 起止时间: 2022-09-01 至 2025-08-31
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2215900&HistoricalAwards=false
• 关键词: MRI; Development; Mass; Spectrometer; Isomer

This award is jointly supported by the Major Research Instrumentation, Chemical Measurement and Imaging, and the Chemistry Research Instrumentation Programs. The State University of New York at Stony Brook is developing an electrospray tandem mass spectrometer with variable temperature and ion trap capabilities for investigations of isomer-selective thermochemical, structural, and spectroscopic characterization of bimolecular interactions to support the research of Professor Christopher Johnson and colleagues Eszter Boros, Karena Chapman, and Michael White. This instrument facilitates research in the areas of biochemistry, medicinal chemistry, inorganic chemistry, organometallic catalysis, and physical chemistry. Tandem mass spectrometry facilitates the separation of ionized molecules as a function of space or time. The instrument being developed isolates analytes using mass spectrometry and generates weakly-bound or transient biomolecular complexes using variable temperature traps. Electron scattering and vibrational spectroscopy are directly integrated to determine structure and intermolecular interactions in samples. This instrument enhances the educational, research, and teaching efforts of students at all levels in many departments as well as provides accessibility for use at nearby institutions. The award for the development of a variable temperature ion trap mass spectrometer is aimed at enhancing research and education at all levels, especially in areas such as biochemistry, medicinal chemistry, inorganic chemistry, organometallic catalysis, and physical chemistry. Research focuses on the development of an instrument that generates isomer-specific thermochemical and structural analysis of bi- and polymolecular complexes. Instrument advances include operation in an environment ranging from cryogenic to elevated temperatures, conditions that are necessary for the generation or isolation of weakly-bound or transient bimolecular complexes and their thermochemical analysis. This platform facilitates the direct quantitative structural analysis of complexes via electron scattering measurements, and the vibrational spectroscopic analysis of structure and intermolecular interactions binding the complexes. The integration of these techniques into a single instrument platform enables the tracking of binding equilibria as a function of ion trap temperature to determine gas-phase binding enthalpies and entropies. In addition, electron scattering experiments and pair distribution function analysis will reveal the structures of these complexes by quantifying atom-atom distances in the bare analytes and their complexes.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.

该奖项由主要的研究工具，化学测量和成像以及化学研究仪器计划共同支持。 Stony Brook纽约州立大学正在开发一种电喷雾串联质谱仪，具有可变温度和离子陷阱功能，用于研究异构体的热化学，结构和光谱表征双向分子相互作用，以支持Christopher Johnson教授和Eszter Boros教授Eszter Boros，Kareara shipman，White Whitehapman和Michael。该仪器促进了在生物化学，药物化学，无机化学，有机金属催化和物理化学领域的研究。串联质谱法促进了离子分子的分离作为空间或时间的函数。使用质谱法开发的仪器分析物分析物，并使用可变温度陷阱生成弱结合或瞬态生物分子复合物。电子散射和振动光谱是直接整合的，以确定样品中的结构和分子间相互作用。该工具增强了许多部门各级学生的教育，研究和教学工作，并为附近机构提供了可访问性。变化离子陷阱质谱仪的开发奖旨在增强各个级别的研究和教育，尤其是在生物化学，药物化学，无机化学，有机分支催化和物理化学等领域。研究的重点是生成双分子和多数分子复合物的异构体热化学和结构分析的仪器的发展。仪器的进步包括在从低温到升高温度的环境中运行，这些条件是生成或隔离弱结合或瞬态双分子复合物及其热化学分析所必需的条件。该平台通过电子散射测量值促进了复合物的直接定量结构分析，以及结构和分子间相互作用结合复合物的振动光谱分析。将这些技术集成到单个仪器平台中，可以跟踪结合平衡作为离子陷阱温度的函数，以确定气相结合焓和熵。此外，电子散射实验和配对分布函数分析将通过量化裸露分析物及其复合物中的原子原子距离来揭示这些复合物的结构。该奖项反映了NSF的法定任务，并被认为是值得通过基金会的知识分子优点和更广泛影响的审查标准来通过评估来支持的。