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Packaging of a flexible polyelectrolyte inside a viral capsid: Effect of salt concentration and salt valence

Angelescu, Daniel LU ; Stenhammar, Joakim LU and Linse, Per LU (2007) In The Journal of Physical Chemistry Part B 111(29). p.8477-8485
Abstract
The effect of salt on the location and structure of a flexible polyelectrolyte confined inside a viral capsid and the Donnan equilibrium of the salt across the capsid have been examined using a coarse-grained model solved by Monte Carlo simulations. The polyelectrolyte was represented by a linear jointed chain of charged beads, and the capsid was represented by a spherical shell with embedded charges. At low salt concentration, the polyelectrolyte was strongly adsorbed onto the inner capsid surface, whereas at high salt concentration it was located preferentially in the central part of the capsid. Under the condition of equal Debye screening length, the electrostatic screening increased as the valence of the polyelectrolyte counterion was... (More)
The effect of salt on the location and structure of a flexible polyelectrolyte confined inside a viral capsid and the Donnan equilibrium of the salt across the capsid have been examined using a coarse-grained model solved by Monte Carlo simulations. The polyelectrolyte was represented by a linear jointed chain of charged beads, and the capsid was represented by a spherical shell with embedded charges. At low salt concentration, the polyelectrolyte was strongly adsorbed onto the inner capsid surface, whereas at high salt concentration it was located preferentially in the central part of the capsid. Under the condition of equal Debye screening length, the electrostatic screening increased as the valence of the polyelectrolyte counterion was increased. The distribution of the small cations and anions was unequal across the capsid. An excess of polyelectrolyte counterions occurred inside the capsid, and the excess increased with the salt concentration. A simplified representation of the small ions through the use of the screened Coulomb potential provided only a qualitatively correct picture; the electrostatic screening originating from the small ions was exaggerated. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part B
volume
111
issue
29
pages
8477 - 8485
publisher
The American Chemical Society
external identifiers
  • wos:000248121500020
  • scopus:34547652543
ISSN
1520-5207
DOI
10.1021/jp068384o
language
English
LU publication?
yes
id
27538718-39f6-4542-bfe0-b1d99bc9074a (old id 646372)
alternative location
http://pubs.acs.org/cgi-bin/article.cgi/jpcbfk/2007/111/i29/pdf/jp068384o.pdf
date added to LUP
2007-12-06 09:46:24
date last changed
2017-07-09 04:17:49
@article{27538718-39f6-4542-bfe0-b1d99bc9074a,
  abstract     = {The effect of salt on the location and structure of a flexible polyelectrolyte confined inside a viral capsid and the Donnan equilibrium of the salt across the capsid have been examined using a coarse-grained model solved by Monte Carlo simulations. The polyelectrolyte was represented by a linear jointed chain of charged beads, and the capsid was represented by a spherical shell with embedded charges. At low salt concentration, the polyelectrolyte was strongly adsorbed onto the inner capsid surface, whereas at high salt concentration it was located preferentially in the central part of the capsid. Under the condition of equal Debye screening length, the electrostatic screening increased as the valence of the polyelectrolyte counterion was increased. The distribution of the small cations and anions was unequal across the capsid. An excess of polyelectrolyte counterions occurred inside the capsid, and the excess increased with the salt concentration. A simplified representation of the small ions through the use of the screened Coulomb potential provided only a qualitatively correct picture; the electrostatic screening originating from the small ions was exaggerated.},
  author       = {Angelescu, Daniel and Stenhammar, Joakim and Linse, Per},
  issn         = {1520-5207},
  language     = {eng},
  number       = {29},
  pages        = {8477--8485},
  publisher    = {The American Chemical Society},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {Packaging of a flexible polyelectrolyte inside a viral capsid: Effect of salt concentration and salt valence},
  url          = {http://dx.doi.org/10.1021/jp068384o},
  volume       = {111},
  year         = {2007},
}