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Random Knotting in Fractal Ring Polymers

[Image: see text] Many ring polymer systems of physical and biological interest exhibit both pronounced topological effects and nontrivial self-similarity, but the relationship between these two phenomena has not yet been clearly established. Here, we use theory and simulation to formulate such a co...

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Autores principales: Rauscher, Phillip M., de Pablo, Juan J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9520986/
https://www.ncbi.nlm.nih.gov/pubmed/36186575
http://dx.doi.org/10.1021/acs.macromol.2c01676
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author Rauscher, Phillip M.
de Pablo, Juan J.
author_facet Rauscher, Phillip M.
de Pablo, Juan J.
author_sort Rauscher, Phillip M.
collection PubMed
description [Image: see text] Many ring polymer systems of physical and biological interest exhibit both pronounced topological effects and nontrivial self-similarity, but the relationship between these two phenomena has not yet been clearly established. Here, we use theory and simulation to formulate such a connection by studying a fundamental topological property—the random knotting probability—for ring polymers with varying fractal dimension, d(f). Using straightforward scaling arguments, we generalize a classic mathematical result, showing that the probability of a trivial knot decays exponentially with chain size, N, for all fractal dimensions: P(0)(N) ∝ exp(−N/N(0)). However, no such simple considerations can account for the dependence of the knotting length, N(0), on d(f), necessitating a more involved analytical calculation. This analysis reveals a complicated double-exponential dependence, which is well supported by numerical data. By contrast, functional forms typical of simple scaling theories fail to adequately describe the observations. These findings are equally valid for two-dimensional ring polymer systems, where “knotting” is defined as the intersection of any two segments.
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spelling pubmed-95209862022-09-30 Random Knotting in Fractal Ring Polymers Rauscher, Phillip M. de Pablo, Juan J. Macromolecules [Image: see text] Many ring polymer systems of physical and biological interest exhibit both pronounced topological effects and nontrivial self-similarity, but the relationship between these two phenomena has not yet been clearly established. Here, we use theory and simulation to formulate such a connection by studying a fundamental topological property—the random knotting probability—for ring polymers with varying fractal dimension, d(f). Using straightforward scaling arguments, we generalize a classic mathematical result, showing that the probability of a trivial knot decays exponentially with chain size, N, for all fractal dimensions: P(0)(N) ∝ exp(−N/N(0)). However, no such simple considerations can account for the dependence of the knotting length, N(0), on d(f), necessitating a more involved analytical calculation. This analysis reveals a complicated double-exponential dependence, which is well supported by numerical data. By contrast, functional forms typical of simple scaling theories fail to adequately describe the observations. These findings are equally valid for two-dimensional ring polymer systems, where “knotting” is defined as the intersection of any two segments. American Chemical Society 2022-09-08 2022-09-27 /pmc/articles/PMC9520986/ /pubmed/36186575 http://dx.doi.org/10.1021/acs.macromol.2c01676 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Rauscher, Phillip M.
de Pablo, Juan J.
Random Knotting in Fractal Ring Polymers
title Random Knotting in Fractal Ring Polymers
title_full Random Knotting in Fractal Ring Polymers
title_fullStr Random Knotting in Fractal Ring Polymers
title_full_unstemmed Random Knotting in Fractal Ring Polymers
title_short Random Knotting in Fractal Ring Polymers
title_sort random knotting in fractal ring polymers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9520986/
https://www.ncbi.nlm.nih.gov/pubmed/36186575
http://dx.doi.org/10.1021/acs.macromol.2c01676
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