The non-classical kinetics and the mutual information of polymer loop formation

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초록

The loop formation of a single polymer chain has served as a model system for various biological and chemical processes. Theories based on the Smoluchowski equation proposed that the rate constant (k(loop)) of the loop formation would be inversely proportional to viscosity (eta), i.e., k(loop) similar to eta (-1). Experiments and simulations showed, however, that k(loop) showed the fractional viscosity dependence of k(loop) similar to eta (-beta) with beta < 1 either in glasses or in low-viscosity solutions. The origin of the fractional viscosity dependence remains elusive and has been attributed to phenomenological aspects. In this paper, we illustrate that the well-known failure of classical kinetics of the loop formation results from the breakdown of the local thermal equilibrium (LTE) approximation and that the mutual information can quantify the breakdown of the LTE successfully.

키워드

LENNARD-JONES MIXTUREPROTEIN-FOLDING RATESMODE-COUPLING THEORYINTERNAL-FRICTIONVISCOSITY DEPENDENCESOLVENT VISCOSITYDYNAMICSCHAINCONTACTMOTION
제목
The non-classical kinetics and the mutual information of polymer loop formation
저자
Lee, Young-RoKwon, SeulkiSung, Bong June
DOI
10.1063/5.0005453
발행일
2020-05-14
유형
Article
저널명
Journal of Chemical Physics
152
18