论文标题
捕获晶格Boltzmann模型中的膜结构和功能
Capturing membrane structure and function in lattice Boltzmann models
论文作者
论文摘要
我们开发了一种介观方法，以模拟细胞尺度上膜的非平衡行为。依靠晶格玻尔兹曼方法，我们开发了一个解决方案程序来恢复Nernst-Planck方程和高斯定律。开发了一条一般的封闭规则来描述整个膜的质量转运，该膜能够根据粗粒表示蛋白质介导的扩散。我们证明，我们的模型能够从第一原理中恢复高盛方程，并表明当膜充电动力学受到多个弛豫时间尺度控制时，就会发生超极化。该方法提供了一种有希望的方法来表征由于膜在基于现实的三维细胞几何形状基于介导运输中的作用而产生的非平衡行为。
We develop a mesoscopic approach to model the non-equilibrium behavior of membranes at the cellular scale. Relying on lattice Boltzmann methods, we develop a solution procedure to recover the Nernst-Planck equations and Gauss's law. A general closure rule is developed to describe mass transport across the membrane, which is able to account for protein-mediated diffusion based on a coarse-grained representation. We demonstrate that our model is able to recover the Goldman equation from first principles and show that hyper-polarization occurs when membrane charging dynamics are controlled by multiple relaxation timescales. The approach provides a promising way to characterize non-equilibrium behaviors that arise due to the role of membranes in mediating transport based on realistic three-dimensional cell geometries.
