Department of Chemistry, Faculty of Science, Rikkyo University, Tokyo, Japan.
Electrophoresis. 2022 Feb;43(4):559-570. doi: 10.1002/elps.202100293. Epub 2021 Dec 6.
Moment equations were developed for partial filling CE systems, in which solute dissolution phenomena by spherical molecular assemblies or intermolecular interactions take place. Because experimental conditions of partial filling CE are divided into five categories on the basis of the magnitude relationship between the migration velocity of solute molecules and that of molecular assemblies or ligand molecules, the moment equations were systematically developed for each case by using the Einstein equation for diffusion and the random walk model. In order to demonstrate the effectiveness of the moment equations, they were applied to the analysis of partial filling CE behavior, which is correlated with dissolution phenomena of small solute molecules into spherical molecular assemblies as specific examples. Simulation results only in the case that the migration velocity of solute molecules is faster than that of molecular assemblies were represented in this paper. Detailed explanations about the derivation procedure of the moment equations and the simulation results in other cases can be found in the Supporting Information. The moment equations are theoretical bases for applying partial filling CE to the study on solute permeation kinetics at the interface of spherical molecular assemblies and on reaction kinetics of intermolecular interactions.
建立了部分填充 CE 体系的矩方程,其中球形分子组装体或分子间相互作用会发生溶质溶解现象。由于部分填充 CE 的实验条件是根据溶质分子和分子组装体或配体分子的迁移速度之间的大小关系分为五类,因此通过使用扩散的爱因斯坦方程和随机漫步模型,系统地为每种情况开发了矩方程。为了证明矩方程的有效性,将其应用于与小分子溶质进入球形分子组装体的溶解现象相关的部分填充 CE 行为分析,这是具体示例。本文仅表示溶质分子迁移速度快于分子组装体的情况下的模拟结果。矩方程的推导过程和其他情况下的模拟结果的详细说明可以在支持信息中找到。矩方程是将部分填充 CE 应用于球形分子组装体界面上溶质渗透动力学和分子间相互作用反应动力学研究的理论基础。