Packaging of a flexible polyelectrolyte inside a viral capsid: Effect of salt concentration and salt valence
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/646372
- author
- Angelescu, Daniel LU ; Stenhammar, Joakim LU and Linse, Per LU
- organization
- publishing date
- 2007
- 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 (ACS)
- 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
- 2016-04-01 15:53:22
- date last changed
- 2022-01-28 07:49:35
@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 (ACS)}},
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}},
doi = {{10.1021/jp068384o}},
volume = {{111}},
year = {{2007}},
}