Cited Article: Sokhan VP. Fluid flow in nanopores: Accurate boundary conditions for carbon nanotubes
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Title:
Water Diffusion Behaviors and Transportation Properties in Transmembrane Cyclic Hexa-, Octa- and Decapeptide Nanotubes
Authors:
Liu, JA; Fan, JF; Tang, M; Cen, M; Yan, JF; Liu, Z; Zhou, WG
Author Full Names:
Liu, Jian; Fan, Jianfen; Tang, Min; Cen, Min; Yan, Jianfeng; Liu, Zhao; Zhou, Weigun
Source:
JOURNAL OF PHYSICAL CHEMISTRY B 114 (38): 12183-12192 SEP 30 2010
Language:
English
Document Type:
Article
KeyWords Plus:
ASSEMBLING PEPTIDE NANOTUBES; MOLECULAR-DYNAMICS; CARBON NANOTUBES; LIPID-BILAYER; LIQUID WATER; CHANNELS; PERMEATION; ION; MEMBRANES; MODEL
Abstract:
Molecular dynamics simulations have been performed on three transmembrane cyclic peptide nanotubes, i.e., 8 x (W (L) under barL)(n=345)/POPE (with uniform lengths but various radii) to investigate the radial dependences of the water-chain structures, diffusions, and transportation properties. The diffusions of individual water molecules and collective coordinates of all the channel-water in the three systems are certified as unbiased Brownian motions. From the very good linear relationships between MSDs and time intervals, the diffusion coefficients and transportation permeabilities have been deduced efficiently. Under the hydrostatic pressure differences across the membrane, a net unidirectional water flow rose up, and the osmotic permeabilities were determined. The ratios of the osmotic and diffusion permeabilities (p(f)/p(d)) were examined for all the three channels.
Reprint Address:
Fan, JF, Soochow Univ, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Peoples R China.
Research Institution addresses:
[Liu, Jian; Fan, Jianfen; Tang, Min; Cen, Min; Zhou, Weigun] Soochow Univ, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Peoples R China; [Yan, Jianfeng; Liu, Zhao] Soochow Univ, Sch Comp Sci & Technol, Suzhou 215006, Peoples R China
E-mail Address:
jffan1305@163.com
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Cited Reference Count:
54
Times Cited:
0
Publisher:
AMER CHEMICAL SOC; 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
Subject Category:
Chemistry, Physical
ISSN:
1520-6106
DOI:
10.1021/jp1039207
IDS Number:
652OV
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