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Entropy 2008, 10(3), 285-308; doi:10.3390/e10030285
Article

Conformational Entropy of an Ideal Cross-Linking Polymer Chain

1
,
2
 and
1,*
1 Department of Physics and Optical Science, University of North Carolina at Charlotte, USA 2 Department of Computer Science and Bioinformatics Research Center, University of North Carolina at Charlotte, USA
* Author to whom correspondence should be addressed.
Received: 8 August 2008 / Revised: 10 September 2008 / Accepted: 19 September 2008 / Published: 20 September 2008
(This article belongs to the Special Issue Entropies of Polymers)
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Abstract

We present a novel analytical method to calculate conformational entropy of ideal cross-linking polymers from the configuration integral by employing a Mayer series expansion. Mayer-functions describing chemical bonds within the chain and for cross-links are sharply peaked over the temperature range of interest, and, are well approximated as statistically weighted Dirac delta-functions that enforce distance constraints. All geometrical deformations consistent with a set of distance constraints are integrated over. Exact results for a contiguous series of connected loops are employed to substantiate the validity of a previous phenomenological distance constraint model that describes protein thermodynamics successfully based on network rigidity.
Keywords: Conformational entropy; Mayer expansion; distance constraints; cross-linking; hydrogen bonds; network rigidity; protein stability Conformational entropy; Mayer expansion; distance constraints; cross-linking; hydrogen bonds; network rigidity; protein stability
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).
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Vorov, O.K.; Livesay, D.R.; Jacobs, D.J. Conformational Entropy of an Ideal Cross-Linking Polymer Chain. Entropy 2008, 10, 285-308.

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