膜中的横向扩散与渗透
Lateral diffusion and percolation in membranes.
作者信息
Sung Bong June, Yethiraj Arun
机构信息
Theoretical Chemistry Institute and Department of Chemistry, University of Wisconsin, Madison, Wisconsin 53706, USA.
出版信息
Phys Rev Lett. 2006 Jun 9;96(22):228103. doi: 10.1103/PhysRevLett.96.228103. Epub 2006 Jun 7.
An algorithm based on Voronoi tessellation and percolation theory is presented to study the diffusion of model membrane components (solutes) in the plasma membrane. The membrane is modeled as a two-dimensional space with integral membrane proteins as static obstacles. The Voronoi diagram consists of vertices, which are equidistant from three matrix obstacles, joined by edges. An edge between two vertices is said to be connected if solute particles can pass directly between the two regions. The percolation threshold, pc, determined using this passage criterion is pc approximately equal to 0.53. This is smaller than if the connectivity of edges were assigned randomly, in which case the percolation threshold pr=2/3, where p is the fraction of connected edges. Molecular dynamics simulations show that diffusion is determined by percolation of clusters of edges.
提出了一种基于Voronoi镶嵌和渗流理论的算法,用于研究模型膜成分(溶质)在质膜中的扩散。将膜建模为一个二维空间,其中整合膜蛋白作为静态障碍物。Voronoi图由顶点组成,这些顶点到三个基质障碍物的距离相等,并由边连接。如果溶质粒子可以在两个区域之间直接通过,则称两个顶点之间的边是连通的。使用该通过标准确定的渗流阈值pc约等于0.53。这比随机分配边的连通性时要小,在随机分配的情况下,渗流阈值pr = 2/3,其中p是连通边的比例。分子动力学模拟表明,扩散由边簇的渗流决定。