CAREER: CDS&E: One- and Two-Dimensional Fourier Transform Approaches for Characterizing Nano-Assemblies with Ion Mobility-Mass Spectrometry

职业：CDS

• 批准号: 1752994
• 负责人: James Prell
• 金额: $ 57.5万
• 依托单位: University of Oregon Eugene
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2018
• 资助国家: 美国
• 起止时间: 2018-03-01 至 2024-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1752994&HistoricalAwards=false
• 关键词: CAREER; CDS& Two; Dimensional; Fourier

With support from the Chemical Measurement and Imaging Program in the Division of Chemistry, Professor James Prell at the University of Oregon is developing analytical methods for accurately determining the composition of mixtures of large polymers and/or molecular assemblies using mass spectrometry. Mass spectrometry is a tool for chemical analysis conventionally used to measure the mass and determine the structure of many types of molecules. Complex mixtures are a major target of research in industrial and biochemical applications as well as from the perspective of fundamental science. These mixtures can have properties that depend strongly on the relative amounts of their different constituents as well as how they are assembled. From synthetic chemicals to models of biological membranes, such systems can be extremely challenging to characterize using mass spectrometry or any other technique. Dr. Prell and his group are developing new approaches for these characterization challenges, ultimately seeking to facilitate precise control of physical and chemical properties. The project combines state-of-the-art mass spectrometry with advanced mathematical and signal processing tools. Publicly available, open-source software created as part of this project will be made available for researchers around the world to use in analyzing these types of samples. At the same time, Dr. Prell seeks to increase the participation of undergraduates from diverse backgrounds in STEM research through a research-based workshop course. Students in this course are learning and implementing strategies for communicating science research to audiences ranging from middle school through professional colleagues at regional and national STEM conferences.Dr. Prell is establishing a vigorous, integrated program of research and education to simplify the analysis of nanoscale chemical assemblies using mass spectrometry, and to increase the retention and research participation of STEM undergraduates from underrepresented groups. There are three specific aims: 1) to establish Fourier Transform-based methodology for analyzing extremely congested electrospray mass spectra of mixed-subunit nanoassemblies, including copolymers and lipoprotein assemblies; 2) to introduce two-dimensional Fourier Transform-based measurement tools for signal isolation in extremely congested electrospray mass spectra of nanoassemblies for which prior ion mobility separation or ordinary Fourier Transform are insufficient; and 3) to increase undergraduate participation in and communication of scientific research. Measurement tools target characterization of subunit interactions, assembly shape and size, and assembly kinetics in a wide variety of applications related to the study of nanoassemblies. Software being developed is open-source and publicly available, allowing rapid implementation and adaptation by other research groups. Educational goals are being addressed by implementing a 1-credit workshop course for undergraduates at the University of Oregon using themes drawn from this research as prototypes. Students in the course develop "elevator talks" for delivery to a UO STEM bridge program; local middle- and high school outreach modules; and a research presentation abstract for submission to a regional or national scientific conference. These efforts build off of the PI's expertise in mass spectrometry and experience supporting URM student representation and inclusion in science as a faculty sponsor of UO's chapter of the Society for the Advancement of Chicanos/Hispanics and Native Americans in Science.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.

在化学系化学测量和成像项目的支持下，俄勒冈州大学的James Prell教授正在开发分析方法，用于使用质谱法准确测定大型聚合物和/或分子组装体的混合物的组成。质谱法是一种化学分析工具，通常用于测量许多类型分子的质量并确定其结构。复杂混合物是工业和生物化学应用以及基础科学研究的主要目标。这些混合物可以具有强烈依赖于其不同成分的相对量以及它们如何组装的性质。从合成化学品到生物膜模型，使用质谱或任何其他技术来表征此类系统可能极具挑战性。Prell博士和他的团队正在为这些表征挑战开发新方法，最终寻求促进物理和化学性质的精确控制。该项目将最先进的质谱分析与先进的数学和信号处理工具相结合。作为该项目一部分创建的公开可用的开源软件将提供给世界各地的研究人员用于分析这些类型的样本。与此同时，Prell博士寻求通过基于研究的研讨会课程增加来自不同背景的本科生在STEM研究中的参与。本课程的学生正在学习和实施将科学研究传达给从中学到地区和国家STEM会议的专业同事的观众的策略。Prell博士正在建立一个充满活力的，综合的研究和教育计划，以简化使用质谱法的纳米化学组件的分析，并增加来自代表性不足群体的STEM本科生的保留和研究参与。有三个具体目标：1）建立基于傅立叶变换的方法学，用于分析混合亚基纳米组装体（包括共聚物和脂蛋白组装体）的极度拥挤的电喷雾质谱; 2）引入基于二维傅立叶变换的测量工具，用于在纳米组装体的极度拥挤的电喷雾质谱中进行信号隔离，对于所述纳米组装体，先前的离子迁移率分离或普通傅立叶变换是不充分的;（3）加强大学生的科研参与与交流。测量工具的目标是表征亚基相互作用，组装形状和大小，以及组装动力学在各种各样的应用程序相关的纳米组装的研究。正在开发的软件是开放源码的，可公开获取，使其他研究小组能够迅速实施和调整。教育目标正在通过实施一个1学分的研讨会课程的本科生在俄勒冈州使用本研究的主题作为原型。学生在课程开发“电梯会谈”交付给UO STEM桥梁计划;当地初中和高中外展模块;和提交给区域或国家科学会议的研究演示摘要。这些努力建立了PI的质谱和经验的专业知识支持URM学生的代表性和包容性在科学作为一个教师赞助商的UO的社会促进墨西哥裔/西班牙裔和美洲原住民在科学章。这个奖项反映了NSF的法定使命，并已被认为是值得通过使用基金会的智力价值和更广泛的影响审查标准进行评估的支持。

项目成果

Fourier-Transform Approach for Reconstructing Macromolecular Mass Defect Profiles

重建大分子质量缺陷轮廓的傅里叶变换方法

• DOI: 10.1021/jasms.1c00317
• 发表时间: 2022
• 期刊: Journal of the American Society for Mass Spectrometry
• 影响因子: 3.2
• 作者: Swansiger, Andrew K.;Marty, Michael T.;Prell, James S.
• 通讯作者: Prell, James S.