Water transport through a transmembrane channel formed by arylene ethynylene macrocycles

doi:10.1039/c3ra43545h

CORC > 化学研究所 > 中国科学院化学研究所

	Water transport through a transmembrane channel formed by arylene ethynylene macrocycles
	Li, Xinmeng 1; Yang, Keda 2; Su, Jiaye 1; Guo, Hongxia 1
刊名	RSC ADVANCES
	2014
卷号	4 期号:7 页码:3245-3252
ISSN号	2046-2069
DOI	10.1039/c3ra43545h
英文摘要	Benefitting from the rigid backbone and pi-pi stacking interactions, arylene ethynylene macrocycles (AEMs) have a high tendency toward a stable nanotube assembly, which brings about potential in transmembrane channel use. Herein, we use molecular dynamics simulations to study the transport properties of water molecules through such a macrocycle nanotube (MNT) embedded in a DPPC bilayer membrane. For comparison, we also consider a structurally less complex channel of carbon nanotube (CNT) with similar size. We find that due to the spatial distribution of the MNT interior, water density profiles exhibit more remarkable wave patterns compared to the CNT, where the water occupancy within cross-sections along the channel have a unique variation of 2-3-2-3. Water molecules inside the MNT are subject to not only shape shifting but also rotation to satisfy the steric environment, which results in an inertial loss and slows down the water flow. We further consider the effect of channel-water interaction and channel length. The water flow through MNTs and CNTs both exhibit maximum behaviors with the increase of channel-water interactions. The MNT flow becomes larger when the channel-water interaction is at low or high levels. Both the water flow decrease steeply first and then smoothly with the increase of channel length. These results indicate that the channel structure and channel-water interaction have a distinct impact on the transport properties of water molecules. As the size of MNT can be well controlled by experimental techniques, this is promising for the design of novel nanofluidic devices.
语种	英语
出版者	ROYAL SOC CHEMISTRY
WOS记录号	WOS:000329039000022
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/51629]
专题	中国科学院化学研究所
通讯作者	Su, Jiaye
作者单位	1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Polymer Phys & Chem, Joint Lab Polymer Sci & Mat,Inst Chem, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Supercomp Ctr, Comp Network Informat Ctr, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Li, Xinmeng,Yang, Keda,Su, Jiaye,et al. Water transport through a transmembrane channel formed by arylene ethynylene macrocycles[J]. RSC ADVANCES,2014,4(7):3245-3252.
APA	Li, Xinmeng,Yang, Keda,Su, Jiaye,&Guo, Hongxia.(2014).Water transport through a transmembrane channel formed by arylene ethynylene macrocycles.RSC ADVANCES,4(7),3245-3252.
MLA	Li, Xinmeng,et al."Water transport through a transmembrane channel formed by arylene ethynylene macrocycles".RSC ADVANCES 4.7(2014):3245-3252.