Structure and Reactivity of Organic Cations in the Gas Phase and Condensed Media

气相和凝聚介质中有机阳离子的结构和反应性

• 批准号: 0848517
• 负责人: Thomas Morton
• 金额: $ 40.5万
• 依托单位: University of California-Riverside
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-02-01 至 2013-01-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0848517&HistoricalAwards=false
• 关键词: Structure; Reactivity; Organic; Cations; Gas

This project probes the relationship between the 3-dimensional structure of organic molecules that carry an electric charge and their chemical reactivity. A key objective of this program is to compare the behavior of ions in the gas phase with those in condensed phases. The picture of how ions behave in the gas phase in relation to their behavior in condensed phases remains incomplete, although there are many parallels. Some ions cannot be made in solution and can be explored only in the gas phase, but others can be made under a variety of conditions. Comparison reveals the effects of solvent and of pairing with opposite charges. Broader impacts resulting from the proposed activity Undergraduate instruction plays an important role in disseminating new results. The PI has invested much effort in teaching small sections (beyond his assigned teaching load) to communicate insights from research. Offered through the UC Riverside's Honors' Program, these sections introduce students to hypothesis testing based on conformational analysis and ion chemistry of small molecules. The PI has developed a course in which, from fall 2006 through the end of 2008, approximately 120 sophomores and juniors (of whom 25% are under-represented minorities, including 8 Chicana/o, 9 other Latina/o, 11 Pacific Islander, 3 African American) have been instructed how to perform molecular modeling on a computer independently, with a view towards comparing computed predictions with experimental data. In regard to research publication, development of mass spectrometric methodology for analyzing how bacteria oxidize alkanes is germane to environmental issues regarding worldwide extraction and transportation of petroleum. With respect to peptide mass spectrometry, development of MS/MS methodology for detecting and quantitating amino acid and peptide stereoisomers will make it possible to assess more routinely how widespread post-translational modification via amino acid epimerization may turn out to be in biological systems. In the research laboratories, a major objective is the education of Ph.D. students to combine organic chemistry with instrumental methods.

本项目探讨带电荷有机分子的三维结构与其化学反应性之间的关系。这个程序的一个关键目标是比较气相和凝聚态离子的行为。尽管有许多相似之处，但离子在气相中的行为与它们在凝聚态中的行为之间的关系仍然不完整。有些离子不能在溶液中生成，只能在气相中探索，但有些离子可以在各种条件下生成。比较表明溶剂和带相反电荷的配对的效果。本科教学在传播新成果方面发挥着重要作用。私家侦探投入了大量精力在小部分的教学上（超出了他指定的教学负荷），以交流研究的见解。这些课程通过加州大学河滨分校的荣誉课程提供，向学生介绍基于小分子构象分析和离子化学的假设检验。PI开设了一门课程，从2006年秋季到2008年底，大约120名二年级和三年级学生（其中25%是代表性不足的少数民族，包括8名墨西哥裔，9名其他拉丁裔，11名太平洋岛民，3名非洲裔美国人）被指导如何在计算机上独立进行分子建模，以期将计算预测与实验数据进行比较。关于研究发表，质谱方法的发展分析细菌如何氧化烷烃是与全球石油开采和运输的环境问题密切相关的。在肽质谱方面，用于检测和定量氨基酸和肽立体异构体的MS/MS方法的发展将使更常规地评估通过氨基酸外显异构化的翻译后修饰在生物系统中的广泛程度成为可能。在研究实验室中，一个主要目标是教育博士生将有机化学与仪器方法结合起来。