Berezhkovskii Alexander M, Bezrukov Sergey M
Section on Molecular Transport, Eunice Kennedy Shriver National Institute of Child Health and Human Development, National Institutes of Health, Bethesda, Maryland 20892, USA.
Phys Chem Chem Phys. 2024 May 29;26(21):15758-15764. doi: 10.1039/d4cp00689e.
We study the translocation probability and lifetime of a solute molecule in a cylindrical membrane channel that contains a localized constriction at an arbitrary location. Using a one-dimensional continuous diffusion description of solute dynamics in the channel, we explore two models. The first one describes a molecule's interaction with the constriction in terms of a narrow rectangular barrier in the potential of mean force. The second novel model proposed here represents this interaction by introducing an infinitely thin permeable partition. It is shown that when the parameters of the two models are chosen to warrant the same translocation probability, both models predict the same mean lifetime of the molecule in the channel. While the translocation probability is independent of the constriction location, the mean lifetime is a function of the location. The benefit of the thin partition model is that it allows one to lump together the height and length of the potential barrier into a single parameter, which is the partition's permeability. It is shown that in the case of an asymmetric location of the localized constriction and strong repulsion between the solutes, the solute flux through the channel is a function of the direction in which it goes, analogous to the phenomenon known in ion channel electrophysiology as rectification.
我们研究了溶质分子在圆柱形膜通道中的转运概率和寿命,该通道在任意位置包含一个局部收缩。使用通道中溶质动力学的一维连续扩散描述,我们探索了两种模型。第一种模型根据平均力势中的窄矩形势垒来描述分子与收缩处的相互作用。这里提出的第二种新颖模型通过引入无限薄的可渗透隔板来表示这种相互作用。结果表明,当选择两种模型的参数以保证相同的转运概率时,两种模型都预测分子在通道中的平均寿命相同。虽然转运概率与收缩位置无关,但平均寿命是位置的函数。薄隔板模型的优点是它允许将势垒的高度和长度合并为一个单一参数,即隔板的渗透率。结果表明,在局部收缩不对称定位且溶质之间存在强排斥的情况下,通过通道的溶质通量是其流动方向的函数,类似于离子通道电生理学中已知的整流现象。