通道环境中质子线的形成与动力学。
The formation and dynamics of proton wires in channel environments.
作者信息
Brewer M L, Schmitt U W, Voth G A
机构信息
Department of Chemistry and Henry Eyring Center for Theoretical Chemistry, University of Utah, Salt Lake City, Utah 84112-0850, USA.
出版信息
Biophys J. 2001 Apr;80(4):1691-702. doi: 10.1016/S0006-3495(01)76140-1.
Abstract
By virtue of an accurate interaction model, the equilibrium and dynamical properties of an excess proton in aqueous systems are studied, in which the water and excess proton are confined to hydrophobic cylindrical channels. Solvation structures of the excess proton and its mobility along the channel are considered as a function of the channel radius. It is found that when the aqueous proton systems are sufficiently constricted there is a substantial increase in the diffusion of the excess proton charge accompanied by a decrease in the diffusion of water molecules along the channel. Such systems present clear evidence for the possible existence of "proton wires."
摘要
借助精确的相互作用模型，研究了水体系中过量质子的平衡和动力学性质，其中水和过量质子被限制在疏水圆柱形通道中。将过量质子的溶剂化结构及其沿通道的迁移率视为通道半径的函数。研究发现，当水合质子体系受到充分限制时，过量质子电荷的扩散会大幅增加，同时水分子沿通道的扩散会减少。这类体系为“质子线”可能的存在提供了明确证据。
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本文引用的文献
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