Department of Chemistry , University of Nevada , Reno , Nevada 89557 , United States.
J Phys Chem B. 2019 Nov 14;123(45):9507-9524. doi: 10.1021/acs.jpcb.9b07086. Epub 2019 Oct 1.
Energy transport during chemical reactions or following photoexcitation in systems of biological molecules is mediated by numerous interfaces that separate chemical groups and molecules. Describing and predicting energy transport has been complicated by the inhomogeneous environment through which it occurs, and general rules are still lacking. We discuss recent work on identification of networks for vibrational energy transport in biomolecules and their environment, with focus on the nature of energy transfer across interfaces. Energy transport is influenced both by structure of the biomolecular system as well as by equilibrium fluctuations of nonbonded contacts between chemical groups, biomolecules, and water along the network. We also discuss recent theoretical and computational work on the related topic of thermal transport through molecular interfaces, with focus on systems important in biology as well as relevant experimental studies.
在生物分子体系中，化学反应或光激发过程中的能量传递是通过许多界面来实现的，这些界面分隔着化学基团和分子。不均匀的环境使得对能量传递的描述和预测变得复杂，目前仍然缺乏一般性的规律。我们讨论了最近在生物分子及其环境中振动能量传递网络的识别方面的工作，重点是界面能量转移的性质。能量传递既受到生物分子体系结构的影响，也受到非键合接触在网络中沿着化学基团、生物分子和水之间的平衡波动的影响。我们还讨论了最近关于分子界面热传递的理论和计算方面的工作，重点是生物学中重要的体系以及相关的实验研究。
