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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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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. |
format | Online Article Text |
id | pubmed-9520986 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT rauscherphillipm randomknottinginfractalringpolymers AT depablojuanj randomknottinginfractalringpolymers |