Kharkyanen Valery N, Yesylevskyy Semen O
Department of Physics of Biological Systems, Institute of Physics, National Academy of Sciences of Ukraine, Prospect Nauki, 46, Kiev 03039, Ukraine.
Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Sep;80(3 Pt 1):031118. doi: 10.1103/PhysRevE.80.031118. Epub 2009 Sep 16.
Single-file diffusion of multiple strongly interacting particles in a one-dimensional pore is described within a general analytical framework. The theory accounts for nonequilibrium conditions, explicit particle-particle interactions, external potential acting on the particles and the fluctuations of the number of particles due to their exchange with external equilibrium reservoirs. It is shown that the problem can be reduced to a closed hierarchical set of partial differential equations of increasing dimensionality, which can be solved numerically. Our framework allows computing any macroscopic characteristic of multiparticle diffusion in the pore. It is shown that the pore occupancy probabilities and the current are rational functions of external concentrations in the steady state. The theory is tested on a simplified model of the narrow rigid pore inspired by the selectivity filter of biological ion channel. Perspectives and limitations of the theory are discussed.
在一个通用的分析框架内描述了多个强相互作用粒子在一维孔中的单列扩散。该理论考虑了非平衡条件、明确的粒子间相互作用、作用于粒子的外部势以及由于粒子与外部平衡储库的交换而导致的粒子数波动。结果表明,该问题可以简化为一组维度不断增加的封闭偏微分方程组,这些方程组可以通过数值方法求解。我们的框架允许计算孔中多粒子扩散的任何宏观特征。结果表明,在稳态下,孔占有率概率和电流是外部浓度的有理函数。该理论在受生物离子通道选择性过滤器启发的窄刚性孔简化模型上进行了测试。讨论了该理论的前景和局限性。