Effect of Bending Rigidity on the Knotting of a Polymer Under Tension

Overview

Journal ACS Macro Lett

Publisher American Chemical Society

Specialty Chemistry

Date 2013 Feb 5

PMID 23378936

Citations 4

Authors

Richard Matthews

Ard A Louis

Christos N Likos

Affiliations

Soon will be listed here.

Abstract

A coarse-grained computational model is used to investigate how the bending rigidity of a polymer under tension affects the formation of a trefoil knot. Thermodynamic integration techniques are applied to demonstrate that the free-energy cost of forming a knot has a minimum at nonzero bending rigidity. The position of the minimum exhibits a power-law dependence on the applied tension. For knotted polymers with nonuniform bending rigidity, the knots preferentially localize in the region with a bending rigidity that minimizes the free energy.

Citing Articles

Trapping a Knot into Tight Conformations by Intra-Chain Repulsions.

Dai L, Doyle P Polymers (Basel). 2019; 9(2).

PMID: 30970736 PMC: 6432319. DOI: 10.3390/polym9020057.

Molecular Knots.

Fielden S, Leigh D, Woltering S Angew Chem Int Ed Engl. 2017; 56(37):11166-11194.

PMID: 28477423 PMC: 5582600. DOI: 10.1002/anie.201702531.

An Anisotropic Effective Model for the Simulation of Semiflexible Ring Polymers.

Poier P, Likos C, Moreno A, Blaak R Macromolecules. 2015; 48(14):4983-4997.

PMID: 26240439 PMC: 4519991. DOI: 10.1021/acs.macromol.5b00603.

Influence of Rigidity and Knot Complexity on the Knotting of Confined Polymers.

Poier P, Likos C, Matthews R Macromolecules. 2014; 47(10):3394-3400.

PMID: 24882882 PMC: 4037316. DOI: 10.1021/ma5006414.

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