Vibrational, Orientational, and Conformational Dynamics of Molecules in Solution

在这个由化学部门实验物理化学项目资助的项目中，麻省理工学院的Andrei Tokmakoff将使用二维红外（2D IR）光谱来研究溶液中肽和蛋白质的分子动力学。总体目标是通过研究多肽主链的酰胺振动，获得对多肽和蛋白质的构象、振动和溶剂化动力学的广泛理解。更具体的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描述，以及多原子溶质在强相互作用溶剂中的结构动力学，以及开发用于研究溶液中蛋白质折叠和结合过程的构象变化和结构非均质性的实验工具。本项目将招收研究生、本科生、博士后研究员和高中教师参与，该项目站在凝聚相化学动力学研究的前沿。他们将获得的技能和知识，将有利于进一步的研究或教育。

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.