Mass Spectrometry and Computational Studies of Deprotonated Substituted Peptides

在化学系化学测量和成像项目的支持下，Carolyn Cassady教授和大卫狄克逊教授及其团队将通过质谱和计算技术研究去质子化氨基酸，其酰胺和肽的气相反应和解离化学。 主要重点将放在容易去质子化的酸性残基上，如磷酸化的丝氨酸、酪氨酸和苏氨酸，以及天冬氨酸和谷氨酸。 总体目标是增加去质子化肽片段化机制，离子结构和酸/碱性质的知识，使蛋白质组学研究人员寻求序列肽的负离子质谱将有一个坚实的基础上，他们的工作基础的基本信息。 本研究将进一步发展使用负离子模式串联质谱分析肽的新方法，特别强调基于电子的解离技术用于酸性肽的测序。本项目使研究生和本科生的多样化群体接触重要的跨学科研究领域，为他们提供工具，使他们能够为广泛的蛋白质组学和化学生物学挑战做出贡献。 这两个团体还积极参与外联活动，如亚拉巴马大学计算机荣誉计划和亚拉巴马高级仪器技术座谈会，使大量学生接触到他们实验室使用的强大计算和分析工具。

With support from the Chemical Measurement and Imaging Program in the Division of Chemistry, Professor Carolyn Cassady and Professor David Dixon and their groups will study the gas-phase reactive and dissociative chemistry of deprotonated amino acids, their amides, and peptides by mass spectrometry and computational techniques. The primary focus will be on acidic residues that readily deprotonate, such as phosphorylated serine, tyrosine, and threonine, as well as aspartic acid and glutamic acid. An overall goal is to increase the knowledge of deprotonated peptide fragmentation mechanisms, ion structures, and acid/base properties so that proteomics researchers seeking to sequence peptides by negative ion mass spectrometry will have a strong foundation of fundamental information upon which to base their work. This research will further the development of new methods of analysis of peptides using negative ion mode tandem mass spectrometry, with particular emphasis being placed on electron-based dissociation techniques for sequencing acidic peptides.This project exposes a diverse group of both graduate and undergraduate students to important interdisciplinary research areas, providing them with tools that will prepare them to contribute to a wide range of proteomic and chemical biology challenges. Both groups are also been actively engaged in outreach activities, such as the University of Alabama Computer Based Honors Program and the Alabama Advanced Instrumental Techniques Colloquium, which expose large numbers of students to the powerful computational and analytical tools utilized in their laboratories.