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，马萨诸塞州理工学院的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骨架的酰胺振动，对肽和蛋白质的构象，振动和溶剂化动力学有广泛的了解。 更具体的是希望获得一个描述的多个耦合的振动坐标相互作用的浴，和一个多原子的溶质在一个强相互作用的溶剂中的结构动力学，以及发展的实验工具，用于研究构象变化和结构异质性伴随蛋白质折叠和结合过程中的解决方案。 研究生和本科生，博士后研究助理和高中教师将参与这个项目，站在凝聚相化学动力学研究的最前沿。 他们将获得技能和知识，这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.