Effect of knotting on polymer shapes and their enveloping ellipsoids.

Détails

ID Serval
serval:BIB_EF24549906CD
Type
Article: article d'un périodique ou d'un magazine.
Collection
Publications
Institution
Titre
Effect of knotting on polymer shapes and their enveloping ellipsoids.
Périodique
Journal of Chemical Physics
Auteur(s)
Millett K.C., Plunkett P., Piatek M., Rawdon E.J., Stasiak A.
ISSN
1089-7690[electronic], 0021-9606[linking]
Statut éditorial
Publié
Date de publication
2009
Peer-reviewed
Oui
Volume
130
Numéro
16
Pages
165104
Langue
anglais
Notes
Publication types: Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
Publication Status: ppublish
Résumé
We simulate freely jointed chains to investigate how knotting affects the overall shapes of freely fluctuating circular polymeric chains. To characterize the shapes of knotted polygons, we construct enveloping ellipsoids that minimize volume while containing the entire polygon. The lengths of the three principal axes of the enveloping ellipsoids are used to define universal size and shape descriptors analogous to the squared radius of gyration and the inertial asphericity and prolateness. We observe that polymeric chains forming more complex knots are more spherical and also more prolate than chains forming less complex knots with the same number of edges. We compare the shape measures, determined by the enveloping ellipsoids, with those based on constructing inertial ellipsoids and explain the differences between these two measures of polymer shape.
Mots-clé
Computer Simulation, Models, Molecular, Molecular Conformation, Polymers/chemistry
Pubmed
Web of science
Création de la notice
18/11/2009 12:26
Dernière modification de la notice
20/08/2019 16:16
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