Dubbeldam J L A, Rostiashvili V G, Vilgis T A
Delft Institute of Applied Mathematics (DIAM), Delft University of Technology, 2628CD Delft, The Netherlands.
Max Planck Institute for Polymer Research, 10 Ackermannweg, 55128 Mainz, Germany.
J Chem Phys. 2014 Sep 28;141(12):124112. doi: 10.1063/1.4896153.
Force-driven translocation of a macromolecule through a nanopore is investigated systematically by taking into account the monomer-pore friction as well as the "crowding" of monomers on the trans-side of the membrane which counterbalance the driving force acting in the pore. The problem is treated self-consistently, so that the resulting force in the pore and the dynamics on the cis and trans sides mutually influence each other. The set of governing differential-algebraic equations for the translocation dynamics is derived and solved numerically. The analysis of this solution shows that the crowding of monomers on the trans side hardly affects the dynamics, but the monomer-pore friction can substantially slow down the translocation process. Moreover, the translocation exponent α in the translocation time-vs.-chain length scaling law, τ ∝ N(α), becomes smaller for relatively small chain lengths as the monomer-pore friction coefficient increases. This is most noticeable for relatively strong forces. Our findings show that the variety of values for α reported in experiments and computer simulations, may be attributed to different pore frictions, whereas crowding effects can generally be neglected.
通过考虑单体与孔之间的摩擦力以及膜另一侧单体的“拥挤”情况(这种“拥挤”会抵消作用于孔内的驱动力),系统地研究了大分子通过纳米孔的力驱动转运。该问题采用自洽的方法处理,使得孔内产生的力以及顺式和反式两侧的动力学相互影响。推导了转运动力学的控制微分 - 代数方程组并进行了数值求解。对该解的分析表明,反式侧单体的拥挤对动力学影响很小,但单体与孔之间的摩擦力会显著减缓转运过程。此外,在转运时间与链长的标度律τ ∝ N(α) 中,随着单体与孔之间的摩擦系数增加,对于相对较短的链长,转运指数α会变小。在相对较强的力作用下,这种情况最为明显。我们的研究结果表明,实验和计算机模拟中报道的α值的多样性,可能归因于不同的孔摩擦,而拥挤效应通常可以忽略不计。