Vibrational, Orientational, and Conformational Dynamics of Molecules in Solution

在这个由化学部实验物理化学计划资助的项目中，麻省理工学院的安德烈·托克马科夫将使用二维红外(2D IR)光谱来研究多肽和蛋白质在溶液中的分子动力学。总体目标是通过对多肽主链的酰胺振动的研究，对多肽和蛋白质的构象、振动和溶剂化动力学有一个广泛的了解。更具体地说，是希望获得多个耦合振动坐标与溶液相互作用的振动动力学的描述，以及多原子溶质在强相互作用溶剂中的结构动力学的描述，以及开发实验工具来研究伴随着蛋白质在溶液中的折叠和结合过程的构象变化和结构异质性。研究生和本科生、博士后研究助理和高中教师将参与这一项目，该项目站在凝聚相化学动力学研究的前沿。他们将获得对进一步学习或教育有利的技能和知识。

In this project, funded by the Experimental Physical Chemistry Program of the Chemistry Division, Andrei Tokmakoff of the Massachusetts Institute of Technology will use two-dimensional infrared (2D IR) spectroscopy to investigate the molecular dynamics of peptides and proteins in solution. The overall goal is to obtain a broad understanding of the conformational, vibrational, and solvation dynamics of peptides and proteins through studies of the amide vibrations of the polypeptide backbone. More specific is the desire to obtain a description of the vibrational dynamics of multiple coupled vibrational coordinates interacting with a bath, and the structural dynamics of a polyatomic solute in a strongly interacting solvent, as well as the development of experimental tools for studying conformational changes and structural heterogeneity accompanying protein folding and binding processes in solution. Graduate and undergraduate students, postdoctoral research associates, and high school teachers will participate in this project, which stands at the forefront of condensed phase chemical dynamics research. They will acquire skills and knowledge that will be of advantage in further studies or education.