受限在纳米管中的嵌段共聚物溶液形成的纳米通道的结构。

The structure of nanochannels formed by block copolymer solutions confined in nanotubes.

机构信息

Department of Chemical and Biological Engineering, State University of New York at Buffalo, Buffalo, New York 14260-4200, USA.

出版信息

J Chem Phys. 2009 Sep 21;131(11):114904. doi: 10.1063/1.3230534.

DOI:10.1063/1.3230534

PMID:19778146

Abstract

Monte Carlo simulations are employed to obtain information about the radius and the roughness of the inner surface of the channels, which are generated by a family of block copolymer solutions confined in nanotubes. The fluctuations of the above quantities also have been calculated. The simulations have been carried out by varying the interactions between various kinds of segments and those between segments and the wall of the nanotubes, as well as the chemical structure of the copolymer and the nanotube diameter. The present simulations provide insight regarding the structure of ionic and water channels formed by protein in the phospholipid bilayers of the cell membrane.

摘要

采用蒙特卡罗模拟方法获取了受限在纳米管中嵌段共聚物溶液生成的通道内表面的半径和粗糙度的信息。同时也计算了这些量的涨落。通过改变不同种类的链段之间以及链段与纳米管壁之间的相互作用，以及共聚物和纳米管直径的化学结构，对模拟进行了改变。本模拟为细胞膜中磷脂双层中蛋白质形成的离子通道和水通道的结构提供了深入的了解。