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基于非厄米量子力学的离子通道动力学

Dynamics of Ion Channels via Non-Hermitian Quantum Mechanics.

作者信息

Gulden Tobias, Kamenev Alex

机构信息

Institute of Science and Technology Austria, 3400 Klosterneuburg, Austria.

School of Physics and Astronomy, University of Minnesota, Minneapolis, MN 55455, USA.

出版信息

Entropy (Basel). 2021 Jan 19;23(1):125. doi: 10.3390/e23010125.

Abstract

We study dynamics and thermodynamics of ion transport in narrow, water-filled channels, considered as effective 1D Coulomb systems. The long range nature of the inter-ion interactions comes about due to the dielectric constants mismatch between the water and the surrounding medium, confining the electric filed to stay mostly within the water-filled channel. Statistical mechanics of such Coulomb systems is dominated by entropic effects which may be accurately accounted for by mapping onto an effective quantum mechanics. In presence of multivalent ions the corresponding quantum mechanics appears to be non-Hermitian. In this review we discuss a framework for semiclassical calculations for the effective non-Hermitian Hamiltonians. Non-Hermiticity elevates WKB action integrals from the real line to closed cycles on a complex Riemann surfaces where direct calculations are not attainable. We circumvent this issue by applying tools from algebraic topology, such as the Picard-Fuchs equation. We discuss how its solutions relate to the thermodynamics and correlation functions of multivalent solutions within narrow, water-filled channels.

摘要

我们研究了窄的、充满水的通道中离子输运的动力学和热力学,这些通道被视为有效的一维库仑系统。离子间相互作用的长程性质源于水与周围介质之间的介电常数不匹配,使得电场主要局限于充满水的通道内。此类库仑系统的统计力学主要由熵效应主导,通过映射到有效的量子力学可以精确地考虑这些效应。在多价离子存在的情况下,相应的量子力学似乎是非厄米的。在这篇综述中,我们讨论了有效非厄米哈密顿量的半经典计算框架。非厄米性将WKB作用积分从实轴提升到复黎曼曲面上的闭合回路,在那里无法进行直接计算。我们通过应用代数拓扑工具,如皮卡-富克斯方程来规避这个问题。我们讨论了其解如何与窄的、充满水的通道内多价溶液的热力学和关联函数相关。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c904/7833378/7d51ca1269b8/entropy-23-00125-g001.jpg

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