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Weak-to-strong confinement transition of semi-flexible macromolecules in slit and in channel

Source: J. Chem. Phys. 136, 024902 (2012); http://dx.doi.org/10.1063/1.3674304

Published 9 January 2012

KEYWORDS and PACS
Keywords
PACS
  • 36.20.Ey
    Macromolecular conformation (statistics and dynamics)
  • 33.15.Bh
    General molecular conformation and symmetry; stereochemistry
  • YEAR: 2011
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PUBLICATION DATA
ISSN:
1553-9628 (online)
Publisher:
AIP is a member of CrossRef AIP
Peter Cifra
Polymer Institute, Slovak Academy of Sciences, Dúbravská cesta 9, 845 41 Bratislava 45, Slovakia
We compare confinement of stiff macromolecule in channel and in slit. Whereas in the channel a distinct and established transition exists, we elucidate here an ongoing controversy reported from previous experiment and simulation on existence of such transition in the slit. Our extensive molecular simulations in both geometries show only a very weak conformational crossover between moderate and strong confinements in slit in the same range of confinements where the distinct transition in channel is observed. In contrast to situation in channels relatively stable hairpin-like structures are not indicated around this weak transition in the slit. Observed difference from the prediction on behavior in blob regime under moderate confinement is explained by a crossover between dimensionalities in the slit and the extent of ideal conformation statistics to which the stiffer chains are prone. The strong confinement regime of stiff chain in slit characterized here has not been interpreted yet and it differs from the respective saturation-like Odijk regime in the channel. ©2012 American Institute of Physics
History: Received 27 September 2011; accepted 12 December 2011; published 9 January 2012
Digital Object Identifier: http://dx.doi.org/10.1063/1.3674304

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