TY - JOUR
T1 - Energy Transport across Interfaces in Biomolecular Systems
AU - Leitner, David M.
AU - Pandey, Hari Datt
AU - Reid, Korey M.
N1 - Funding Information:
We have enjoyed discussions and collaboration with Gerhard Stock and Takahisa Yamato on many aspects of this work. Some of it was carried out while D.M.L. was a Senior Fellow at the Freiburg Institute for Advanced Studies (FRIAS) and continues while D.M.L. is a JSPS Invitational Fellow at Nagoya University. Support from NSF grants CHE-1361776 and CHE-1854271 is gratefully acknowledged.
Publisher Copyright:
Copyright © 2019 American Chemical Society.
PY - 2019/11/14
Y1 - 2019/11/14
N2 - 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.
AB - 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.
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U2 - 10.1021/acs.jpcb.9b07086
DO - 10.1021/acs.jpcb.9b07086
M3 - Article
C2 - 31510751
AN - SCOPUS:85073022056
SN - 1089-5647
VL - 123
SP - 9507
EP - 9524
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
IS - 45
ER -