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Modeling of DNA compaction by polycations

Dias, Rita LU ; Pais, A A C C; Miguel, Maria LU and Lindman, Björn LU (2003) In Journal of Chemical Physics 119(15). p.8150-8157
Abstract
In this work we study polycations as efficient compacting agents of a

medium size polyanion by means of Monte Carlo simulations. The systems

are characterized in terms of a conformational analysis in which shape,

overall dimensions, structure factors, radial distribution functions,

and the degree of accumulation of the compaction agent near the

polyanion are taken into consideration. Results show that the degree of

compaction depends on the size of the positive chais and their

number. The role of electrostatic interactions is paramount in the

compaction process, and an increase in the number of molecules of the

compacting agent or in the number of... (More)
In this work we study polycations as efficient compacting agents of a

medium size polyanion by means of Monte Carlo simulations. The systems

are characterized in terms of a conformational analysis in which shape,

overall dimensions, structure factors, radial distribution functions,

and the degree of accumulation of the compaction agent near the

polyanion are taken into consideration. Results show that the degree of

compaction depends on the size of the positive chais and their

number. The role of electrostatic interactions is paramount in the

compaction process, and an increase in the number of molecules of the

compacting agent or in the number of charges of each molecule leads to

collapse, which may be followed by some unfolding in situations of

overcharging. Compaction is associated with polycations promoting

bridging between different sites in the polyanion. When the total

charge of the polycations is significantly lower than that of the

polyanion, interaction produces only a small degree of intrachain

segregation in the latter, allowing for significant translational

motion of the compacting agent along the longer chain. However,

complete charge neutralization is not mandatory to achieve compact

forms. (C) 2003 American Institute of Physics. (Less)
Please use this url to cite or link to this publication:
author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Chemical Physics
volume
119
issue
15
pages
8150 - 8157
publisher
American Institute of Physics
external identifiers
  • WOS:000185703100060
  • Scopus:0242321243
ISSN
0021-9606
DOI
10.1063/1.1609985
language
English
LU publication?
yes
id
ad08221d-a30e-41b1-8e84-89f766358e78 (old id 121972)
date added to LUP
2007-07-11 09:36:32
date last changed
2016-11-13 04:33:34
@misc{ad08221d-a30e-41b1-8e84-89f766358e78,
  abstract     = {In this work we study polycations as efficient compacting agents of a<br/><br>
	medium size polyanion by means of Monte Carlo simulations. The systems<br/><br>
	are characterized in terms of a conformational analysis in which shape,<br/><br>
	overall dimensions, structure factors, radial distribution functions,<br/><br>
	and the degree of accumulation of the compaction agent near the<br/><br>
	polyanion are taken into consideration. Results show that the degree of<br/><br>
	compaction depends on the size of the positive chais and their<br/><br>
	number. The role of electrostatic interactions is paramount in the<br/><br>
	compaction process, and an increase in the number of molecules of the<br/><br>
	compacting agent or in the number of charges of each molecule leads to<br/><br>
	collapse, which may be followed by some unfolding in situations of<br/><br>
	overcharging. Compaction is associated with polycations promoting<br/><br>
	bridging between different sites in the polyanion. When the total<br/><br>
	charge of the polycations is significantly lower than that of the<br/><br>
	polyanion, interaction produces only a small degree of intrachain<br/><br>
	segregation in the latter, allowing for significant translational<br/><br>
	motion of the compacting agent along the longer chain. However,<br/><br>
	complete charge neutralization is not mandatory to achieve compact<br/><br>
	forms. (C) 2003 American Institute of Physics.},
  author       = {Dias, Rita and Pais, A A C C and Miguel, Maria and Lindman, Björn},
  issn         = {0021-9606},
  language     = {eng},
  number       = {15},
  pages        = {8150--8157},
  publisher    = {ARRAY(0x8469c80)},
  series       = {Journal of Chemical Physics},
  title        = {Modeling of DNA compaction by polycations},
  url          = {http://dx.doi.org/10.1063/1.1609985},
  volume       = {119},
  year         = {2003},
}