Collision Cross Section Measurements Using Fourier Transform Ion Cyclotron Resonance Techniques

使用傅里叶变换离子回旋共振技术进行碰撞截面测量

基本信息

批准号：
1904838
负责人：
David Dearden
金额：
$ 49.5万
依托单位：
Brigham Young University
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2019
资助国家：
美国
起止时间：
2019-07-01 至 2023-06-30
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=1904838&HistoricalAwards=false
关键词：
Collision Cross Section Measurements Using

项目摘要

With support from the Chemical Measurement and Imaging program in the Chemistry Division, Professors David Dearden and Matthew Asplund of Brigham Young University and their students are devising a new approach to measuring the shapes of molecules, including the way that biological molecules like proteins are folded. While superb techniques exist for such measurements, those techniques require specialized instrumentation. This team is developing new techniques to extend these capabilities to an additional class of existing instrumentation with only minimal modification, making these measurements more widely available. Their approach may also offer enhanced performance for some applications. These measurements are important because just as a misshapen, misfolded parachute may not unfurl correctly, misfolded protein molecules (for example) do not function properly and are believed to be among the root causes of debilitating conditions like Alzheimer?s or Parkinson?s diseases. Sensitive detection of the shape is essential to understanding how molecules fit together and function, and what can go wrong at the molecular level. Students carrying out this work are trained in skills essential to the 21st century science that is the foundation of the U.S. economy.In this project, graduate and undergraduate students are developing techniques designed to measure the collision cross sections of gas phase ions, without requiring a dedicated ion mobility instrument. Two independent approaches to these measurements are taken. The first examines signal decay as ions are scattered out of a coherently-orbiting ensemble in a Fourier transform ion cyclotron resonance mass spectrometer (FTICR/MS). The decay rate (and the corresponding FTICR linewidth) depends on the collision cross section. The second approach measures the phase lag between the radiofrequency electric field used to excite the ions and the ion motion in the presence of a damping buffer gas. This approach overcomes mass-to-charge and energy limits that are inherent in the linewidth method. The utility of these techniques is demonstrated by examining problems in supramolecular chemistry and structural biochemistry. In the course of this work, graduate students are trained in advanced techniques for high performance mass spectrometry that are vital for the biotechnology industry and the emerging field of proteomics. Many of the talented undergraduate students engaged in this research subsequently pursue graduate studies. The instrumentation used in this study is also made available for undergraduate courses in general, analytical and physical chemistry at BYU, which is a significant supplier of B.S. chemistry and biochemistry students to U.S. graduate programs.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.

在化学分部的化学测量和成像计划的支持下，杨百翰大学的戴维·迪登（David Dearden）和马修·阿斯普伦德（Matthew Asplund）及其学生正在设计一种新的方法来测量分子的形状，包括折叠蛋白这样的生物分子的方式。尽管存在用于此类测量的精湛技术，但这些技术需要专门的仪器。该团队正在开发新技术，将这些功能扩展到仅使用最小修改的其他仪器类别的其他类别，从而使这些测量更广泛地可用。他们的方法还可以为某些应用提供增强的性能。这些测量值很重要，因为就像一个畸形，错误折叠的降落伞可能无法正确解体一样，错误折叠的蛋白质分子（例如）无法正常运行，并且被认为是像阿尔茨海默氏病这样的衰弱状况的根本原因之一。对形状的敏感检测对于了解分子如何拟合和功能以及在分子水平上可能出问题至关重要。从事这项工作的学生接受了对21世纪科学必不可少的技能的培训，这是美国经济的基础。在该项目中，研究生和本科生正在开发旨在衡量气相离子碰撞横截面的技术，而无需专用的离子迁移仪器。采用了两种独立的方法。第一个检查信号衰变是因为离子散布在傅立叶转换离子回旋共振质谱仪（FTICR/MS）中的相干驱动集合中。衰减速率（以及相应的FTICR线宽）取决于碰撞横截面。第二种方法测量用于激发离子和离子运动的射频电场之间的相位滞后在存在阻尼缓冲气体的情况下。这种方法克服了线宽方法固有的质量到电荷和能量限制。通过检查超分子化学和结构生物化学的问题来证明这些技术的效用。在这项工作的过程中，研究生接受了高级质谱的高级技术培训，这些技术对于生物技术行业和蛋白质组学的新兴领域至关重要。许多才华横溢的本科生从事这项研究，随后从事研究生学习。本研究中使用的仪器也可用于BYU的一般本科课程，分析和物理化学的课程，该课程是B.S.的重要供应商。化学和生物化学专业的学生参加了美国研究生课程。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评论标准来评估值得支持的。

项目成果

期刊论文数量（5）

专著数量（0）

科研奖励数量（0）

会议论文数量（0）

专利数量（0）

Ion Mobility and Fourier Transform Ion Cyclotron Resonance Collision Cross Section Techniques Yield Long-Range and Hard-Sphere Results, Respectively

离子淌度和傅里叶变换离子回旋共振碰撞截面技术分别产生长程和硬球结果

DOI：
10.1021/jasms.2c00112
发表时间：
2022
期刊：
Journal of the American Society for Mass Spectrometry
影响因子：
3.2
作者：
Heravi, Tina;Arslanian, Andrew J.;Johnson, Spencer D.;Dearden, David V.
通讯作者：
Dearden, David V.

Halide Size-Selective Binding by Cucurbit[5]uril–Alkali Cation Complexes in the Gas Phase

气相中葫芦[5]uril-碱金属阳离子配合物的卤化物尺寸选择性结合

DOI：
10.1021/acs.jpca.1c05060
发表时间：
2021
期刊：
The Journal of Physical Chemistry A
影响因子：
0
作者：
Heravi, Tina;Shen, Jiewen;Johnson, Spencer;Asplund, Matthew C.;Dearden, David V.
通讯作者：
Dearden, David V.

Multi-CRAFTI: Relative Collision Cross Sections from Fourier Transform Ion Cyclotron Resonance Mass Spectrometric Line Width Measurements

Multi-CRAFTI：傅里叶变换离子回旋共振质谱线宽测量的相对碰撞截面

DOI：
10.1021/jasms.1c00297
发表时间：
2022
期刊：
Journal of the American Society for Mass Spectrometry
影响因子：
3.2
作者：
Pope, Brigham L.;Joaquin, Daniel;Hickey, Jacob T.;Mismash, Noah;Heravi, Tina;Shrestha, Jamir;Arslanian, Andrew J.;Anupriya;Mortensen, Daniel N.;Dearden, David V.
通讯作者：
Dearden, David V.

Prototypical Allosterism in a Simple Ditopic Ligand: Gas-Phase Topologies of Cucurbit[n]uril· n -Alkylammonium Complexes Controlled by Binding in the Second Site

简单双位配体中的典型变构现象：由第二位点结合控制的葫芦[n]脲·n-烷基铵配合物的气相拓扑

DOI：
10.1021/acs.jpca.2c01703
发表时间：
2022
期刊：
The Journal of Physical Chemistry A
影响因子：
0
作者：
Shrestha, Jamir;Porter, Savannah R.;Tinsley, Caleb;Arslanian, Andrew J.;Dearden, David V.
通讯作者：
Dearden, David V.

Collision Cross-Section Measurements of Collision-Induced Dissociation Precursor and Product Ions in an FTICR-MS and an IM-MS: A Comparative Study

FTICR-MS 和 IM-MS 中碰撞诱导解离母离子和子离子的碰撞截面测量：比较研究