MRI: Track 1 Acquisition of a High-Resolution Quadrupole Time-of-Flight Mass Spectrometer with Diverse Inlet and Ionization Capabilities for Chemical Analyses

该奖项由主要研究仪器计划、化学研究仪器计划和促进竞争性研究的既定计划（EPSCoR）共同资助。该项目支持密西西比州立大学购买超高性能液相色谱和高分辨率四极杆飞行时间质谱（UPLC-qToF）仪器，加强密西西比的研究仪器基础设施。高分辨率质谱分析是表征新的合成化学物质的关键仪器技术，也是检测和表征低浓度物质的灵敏方法，例如在生物和环境样品中。化学系的12个研究小组被确定为用户，该仪器也将供校园内外的其他研究人员使用。除了支持研究活动外，该仪器还将用于教育活动，包括培训学生研究人员和纳入实验室课程。新仪器将确保密西西比州立大学的研究人员能够继续使用最先进的高分辨率质谱法来表征新的合成和反应监测。若干项目将利用该仪器的这一方面，举例包括鉴定与生产较清洁燃料有关的加氢脱氮过程的杂双金属配合物，鉴定旨在在水或乙醇等可持续溶剂中进行有机转化的催化剂和反应产物；以及催化剂和反应的表征，旨在改善与制药制造相关的立体和位点选择性功能化和转化等应用。新仪器具有优异的灵敏度，并与超高性能色谱仪耦合，允许在低浓度和/或复杂基质样品中测量分析物物种。将受益于该仪器这些方面的研究实例包括：对改性生物炭对多氟烷基物质的吸附和分解进行表征，以及对可能与新出现的环境污染物相关的离子液体降解产物进行表征。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 jointly funded by the Major Research Instrumentation Program, the Chemistry Research Instrumentation Program, and the Established Program to Stimulate Competitive Research (EPSCoR). It supports the acquisition of instrumentation for ultra-performance liquid chromatography coupled with high-resolution quadrupole time-of-flight mass spectrometry (UPLC-qToF) by Mississippi State University, strengthening the research instrumentation infrastructure in Mississippi. High-resolution mass spectrometry is a critical instrumental technique for the characterization of new synthetic chemical species and is a sensitive method for detecting and characterizing low-concentration species, for example in biological and environmental samples. Twelve research groups in the Department of Chemistry are identified as users and the instrument will also be available to other researchers from across campus and beyond. In addition to supporting research activities, the instrument will also be used for educational activities, including training of student researchers and incorporation into laboratory courses. The new instrument will ensure that researchers at Mississippi State University continue to have access to state-of-the-art high-resolution mass spectrometry required for the characterization of novel syntheses and reaction monitoring. Several projects will make use of this aspect of the instrument, with examples including characterization of heterobimetallic complexes for hydrodenitrogenation processes relevant to production of cleaner fuels, characterization of catalysts and reaction products aimed at performing organic transformations in sustainable solvents like water or ethanol, and characterization of catalysts and reactions aimed at improving stereo- and site-selective functionalizations and transformations relevant to pharmaceutical manufacture among other applications. The new instrument has excellent sensitivity and is coupled to an ultra-high performance chromatography instrument, allowing for analyte species to be measured in low-concentration and/or complex matrix samples. Examples of research that will benefit from these aspects of the instrument include characterization of the adsorption and decomposition of polyfluoroalkyl substances (PFAS) with modified biochar and the characterization of ionic liquid degradation products that may be relevant as emerging environmental contaminants.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.