Energy Transport across Interfaces in Biomolecular Systems
Energy Transport across Interfaces in Biomolecular Systems
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DOI：
10.1021/acs.jpcb.9b07086
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发表时间：
2019-11-14
影响因子：
3.3
通讯作者：
Reid, Korey M.
中科院分区：
文献类型：
--
作者：
Leitner, David M.;Pandey, Hari Datt;Reid, Korey M.
在生物分子系统中，化学反应期间或光激发之后的能量传输由分离化学基团和分子的许多界面介导。描述和预测能量传输由于其发生的不均匀环境而变得复杂，并且仍然缺乏一般规则。我们讨论了最近的工作，在生物分子及其环境中的振动能量传输网络的识别，重点是跨界面的能量转移的性质。能量传递既受生物分子系统的结构影响，也受化学基团、生物分子和水沿着网络之间的非键合接触的平衡波动影响。我们还讨论了最近的理论和计算工作，通过分子界面的热传输的相关主题，重点放在系统的重要生物学以及相关的实验研究。
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.