双分子反应速率的拥挤效应理论
Theory of Crowding Effects on Bimolecular Reaction Rates.
作者信息
Berezhkovskii Alexander M, Szabo Attila
机构信息
Mathematical and Statistical Computing Laboratory, Division of Computational Bioscience, Center for Information Technology, National Institutes of Health , Bethesda, Maryland 20892, United States.
Laboratory of Chemical Physics, National institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health , Bethesda, Maryland 20892, United States.
出版信息
J Phys Chem B. 2016 Jul 7;120(26):5998-6002. doi: 10.1021/acs.jpcb.6b01892. Epub 2016 May 2.
An analytical expression for the rate constant of a diffusion-influenced bimolecular reaction in a crowded environment is derived in the framework of a microscopic model that accounts for: (1) the slowdown of diffusion due to crowding and the dependence of the diffusivity on the distance between the reactants, (2) a crowding-induced attractive short-range potential of mean force, and (3) nonspecific reversible binding to the crowders. This expression spans the range from reaction to diffusion control. Crowding can increase the reaction-controlled rate by inducing an effective attraction between reactants but decrease the diffusion-controlled rate by reducing their relative diffusivity.
在一个微观模型框架内，推导出了拥挤环境中扩散影响的双分子反应速率常数的解析表达式，该模型考虑了：（1）由于拥挤导致的扩散减慢以及扩散率对反应物之间距离的依赖性；（2）拥挤诱导的平均力吸引短程势；（3）与拥挤剂的非特异性可逆结合。该表达式涵盖了从反应控制到扩散控制的范围。拥挤可通过诱导反应物之间的有效吸引力来提高反应控制速率，但会通过降低它们的相对扩散率来降低扩散控制速率。
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