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Tracer diffusion in a crowded cylindrical channel

DSpace at IIT Bombay

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Title Tracer diffusion in a crowded cylindrical channel
 
Creator CHAKRABARTI, R
KESSELHEIM, S
KOSOVAN, P
HOLM, C
 
Subject NUCLEAR-PORE COMPLEX
MOLECULAR-DYNAMICS SIMULATION
FLUORESCENCE CORRELATION SPECTROSCOPY
ANOMALOUS DIFFUSION
NUCLEOCYTOPLASMIC TRANSPORT
HYDROGEL
POLYMERS
NUCLEOPORINS
SELECTIVITY
PROTEINS
 
Description Based on a coarse-grained model, we carry out molecular dynamics simulations to analyze the diffusion of a small tracer particle inside a cylindrical channel whose inner wall is covered with randomly grafted short polymeric chains. We observe an interesting transient subdiffusive behavior along the cylindrical axis at high attraction between the tracer and the chains, however, the long-time diffusion is always normal. This process is found to be enhanced for the case that we immobilize the grafted chains, i.e., the subdiffusive behavior sets in at an earlier time and spans over a longer time period before becoming diffusive. Even if the grafted chains are replaced with a frozen sea of repulsive, nonconnected particles in the background, a transient subdiffusion is observed. The intermediate subdiffusive behavior only disappears when the grafted chains are replaced with a mobile background sea of mutually repulsive particles. Overall, the long-time diffusion coefficient of the tracer along the cylinder axis decreases with an increase in system volume fraction, the strength of the attraction between the tracer and the background, and also on freezing the background.
 
Publisher AMER PHYSICAL SOC
 
Date 2014-10-17T04:19:24Z
2014-10-17T04:19:24Z
2013
 
Type Article
 
Identifier PHYSICAL REVIEW E, 87(6)
http://dx.doi.org/10.1103/PhysRevE.87.062709
http://dspace.library.iitb.ac.in/jspui/handle/100/15931
 
Language en