CAREER: Gas Phase Thermochemical Properties of Amino Acids and Fundamental Investigations of the Extended Kinetic Method

职业：氨基酸的气相热化学性质和扩展动力学方法的基础研究

• 批准号: 0348889
• 负责人: John Poutsma
• 金额: $ 43.83万
• 依托单位: College of William and Mary
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-06-01 至 2010-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0348889&HistoricalAwards=false
• 关键词: CAREER; Gas; Phase; Thermochemical; Properties

In this project, funded by the Experimental Physical Chemistry Program of the Chemistry Division, Prof. John Poutsma of the College of William and Mary will conduct an integrated teaching and research program in the area of gas phase chemistry. The research consists of two major thrusts: 1) Fundamental investigations of collision energy and entropy effects in the entropy-corrected and standard form of the kinetic model, and 2) the thermochemistry of protein and non-protein amino acids in the gas phase. In the first of these studies, a series of compounds with known thermochemistry will be investigated in order to determine the strengths and limitations of the entropy-corrected extended kinetic method for the prediction of reaction entropies. These studies will be performed in two collision energy regimes: 1) The low-energy multiple-collision regime of the ion trap instrument, and 2) the higher energy, single-collision regime in a flowing afterglow-triple quadrupole instrument. These latter studies will be conducted with Prof. P. Wenthold at Purdue University.In the second area, the intrinsic thermochemical properties of twenty common protein amino acids (PAA) as well as a variety of naturally occurring non-protein amino acids (NPAA) will be determined. The properties of the NPAAs will be determined relative to their PAA analogs. The experimental work will be accompanied by gas-phase density functional calculations.Prof. Poutsma will develop a new course on computational chemistry designed for senior undergraduates and master's students. In addition, mass spectrometry experiments will be introduced in laboratories for both lower and upper division courses. Prof. Poutsma will also participate in the College's new Chancellor's Academy summer program for high school students by teaching classes in environmental science.

在这个由化学系实验物理化学计划资助的项目中，威廉和玛丽学院的John Poutsma教授将在气相化学领域进行综合教学和研究计划。这项研究包括两个主要方面：1)在熵修正和标准形式的动力学模型中对碰撞能和熵效应的基础研究；2)蛋白质和非蛋白质氨基酸在气相中的热化学。在第一个研究中，将对一系列已知热化学的化合物进行研究，以确定用于预测反应熵的熵校正扩展动力学方法的优点和局限性。这些研究将在两个碰撞能量区中进行：1)离子陷阱仪器的低能多次碰撞区，和2)流动余辉-三重四极子仪器的高能单区碰撞区。后一项研究将与普渡大学的P.温特霍尔德教授一起进行。在第二个领域，将测定20种常见蛋白质氨基酸(PAA)以及各种自然存在的非蛋白质氨基酸(NPAA)的固有热化学性质。NPAA的性质将相对于它们的PAA类似物来确定。实验工作将伴随着气相密度泛函计算。Poutsma将开发一门新的计算化学课程，专为大四本科生和硕士学生设计。此外，在低级和高级课程的实验室中都将引入质谱学实验。Poutsma教授还将通过教授环境科学课程，参加学院为高中生开设的新校长学院暑期项目。