3D POISSON-NERNST-PLANCK THEORY

描述：(逐字摘自申请人的摘要)一种有效的方法 求解电扩散的Poisson-Nernst-Planck(PNP)方程 任意的三维孔隙结构是最近发展起来的。即插即用 理论能够计算通过生物离子通道的离子电流 在任意条件下被嵌入到脂质双层膜中 内外洗浴液浓度和外加电场 潜力。该提案提出了进一步发展PNP理论的计划(例如， 当所指离子尺寸与孔尺寸相比显著时)， 加速用于求解PNP方程的计算机算法，并且， 特别是，将该方法应用于各种生物系统，包括 Gramiidin，几种孔蛋白，以及烟碱型乙酰胆碱受体。 生物离子通道在生理过程中起着重要的作用 作为对化学物质浓度、肌肉收缩和信号的调节 转导。本文提出的工作将有助于对离子的理解。 通过开放渠道的渗透，这是整体 这些设备的功能。

Description: (Verbatim from the applicant's abstract) An efficient method for solving the Poisson-Nernst-Planck (PNP) equations of electrodiffusion for arbitrary three-dimensional pore structures has recently been developed. PNP theory enables computation of ionic currents through biological ion channels that are embedded in lipid bilayer membranes under arbitrary conditions of inside/outside bathing solution concentrations and applied electrical potentials. This proposal presents plans to further develop PNP theory (e.g., when the permeant ion size is significant compared to pore dimensions), to speed-up the computer algorithm that is used to solve the PNP equations, and, especially, to apply the method to a variety of biological systems including gramicidin, several porins, and the nicotinic acetylcholine receptor. Biological ion channels play a fundamental role in physiological processes such as regulation of chemical concentrations, muscle contraction and signal transduction. The work proposed here will contribute to understanding of ion permeation through open channels, which is a critical aspect of the overall function of these devices.