Kolomeisky Anatoly B, Kotsev Stanislav
Department of Chemistry, Rice University, Houston, Texas 77005-1892, USA.
J Chem Phys. 2008 Feb 28;128(8):085101. doi: 10.1063/1.2831801.
Transport of molecules across membrane channels is investigated theoretically using exactly solvable one-dimensional discrete-state stochastic models. An interaction between molecules and membrane pores is modeled via a set of binding sites with different energies. It is shown that the interaction potential strongly influences the particle currents as well as fluctuations in the number of translocated molecules. For small concentration gradients, the attractive sites lead to largest currents and fluctuations, while the repulsive interactions yield the largest fluxes and dispersions for large concentration gradients. Interaction energies that lead to maximal currents and maximal fluctuations are the same only for locally symmetric potentials, where transition states are equally distant from the neighboring binding sites, while they differ for the locally asymmetric potentials. The conditions for the most optimal translocation transport with maximal current and minimal dispersion are discussed. It is argued that, in this case, the interaction strength is independent of local symmetry of the potential of mean forces. In addition, the effect of the global asymmetry of the interaction potential is investigated, and it is shown that it also strongly affects the particle translocation dynamics. These phenomena can be explained by analyzing the details of the particle entering and leaving the binding sites in the channel.
利用精确可解的一维离散态随机模型,从理论上研究了分子跨膜通道的运输。分子与膜孔之间的相互作用通过一组具有不同能量的结合位点来建模。结果表明,相互作用势强烈影响粒子电流以及易位分子数目的涨落。对于小浓度梯度,吸引性位点导致最大电流和涨落,而排斥性相互作用在大浓度梯度时产生最大通量和扩散。仅对于局部对称势,导致最大电流和最大涨落的相互作用能才相同,此时过渡态与相邻结合位点的距离相等,而对于局部非对称势,它们是不同的。讨论了实现最大电流和最小扩散的最优易位运输条件。有人认为,在这种情况下,相互作用强度与平均力势的局部对称性无关。此外,还研究了相互作用势的全局不对称性的影响,结果表明它也强烈影响粒子易位动力学。这些现象可以通过分析粒子进出通道中结合位点的细节来解释。