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Threading of Unconcatenated Ring Polymers at High Concentrations: Double-Folded vs Time-Equilibrated Structures
[Image: see text] Unconcatenated ring polymers in concentrated solutions and melt are remarkably well described as double-folded conformations on randomly branched primitive trees. This picture though contrasts recent evidence for extensive intermingling between close-by rings in the form of long-li...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2019
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6383510/ https://www.ncbi.nlm.nih.gov/pubmed/30800531 http://dx.doi.org/10.1021/acsmacrolett.8b00828 |
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author | Smrek, Jan Kremer, Kurt Rosa, Angelo |
author_facet | Smrek, Jan Kremer, Kurt Rosa, Angelo |
author_sort | Smrek, Jan |
collection | PubMed |
description | [Image: see text] Unconcatenated ring polymers in concentrated solutions and melt are remarkably well described as double-folded conformations on randomly branched primitive trees. This picture though contrasts recent evidence for extensive intermingling between close-by rings in the form of long-lived topological constraints or threadings. Here, we employ the concept of ring minimal surface to quantify the extent of threadings in polymer solutions of the double-folded rings vs rings in equilibrated molecular dynamics computer simulations. Our results show that the double-folded ring polymers are significantly less threaded compared to their counterparts at equilibrium. Second, threadings form through a slow process whose characteristic time-scale is of the same order of magnitude as that of the diffusion of the rings in solution. These findings are robust, being based on universal (model-independent) observables as the average fraction of threaded length or the total penetrations between close-by rings and the corresponding distribution functions. |
format | Online Article Text |
id | pubmed-6383510 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-63835102019-02-22 Threading of Unconcatenated Ring Polymers at High Concentrations: Double-Folded vs Time-Equilibrated Structures Smrek, Jan Kremer, Kurt Rosa, Angelo ACS Macro Lett [Image: see text] Unconcatenated ring polymers in concentrated solutions and melt are remarkably well described as double-folded conformations on randomly branched primitive trees. This picture though contrasts recent evidence for extensive intermingling between close-by rings in the form of long-lived topological constraints or threadings. Here, we employ the concept of ring minimal surface to quantify the extent of threadings in polymer solutions of the double-folded rings vs rings in equilibrated molecular dynamics computer simulations. Our results show that the double-folded ring polymers are significantly less threaded compared to their counterparts at equilibrium. Second, threadings form through a slow process whose characteristic time-scale is of the same order of magnitude as that of the diffusion of the rings in solution. These findings are robust, being based on universal (model-independent) observables as the average fraction of threaded length or the total penetrations between close-by rings and the corresponding distribution functions. American Chemical Society 2019-01-22 2019-02-19 /pmc/articles/PMC6383510/ /pubmed/30800531 http://dx.doi.org/10.1021/acsmacrolett.8b00828 Text en Copyright © 2019 American Chemical Society This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html) , which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited. |
spellingShingle | Smrek, Jan Kremer, Kurt Rosa, Angelo Threading of Unconcatenated Ring Polymers at High Concentrations: Double-Folded vs Time-Equilibrated Structures |
title | Threading of Unconcatenated Ring Polymers at High
Concentrations: Double-Folded vs Time-Equilibrated Structures |
title_full | Threading of Unconcatenated Ring Polymers at High
Concentrations: Double-Folded vs Time-Equilibrated Structures |
title_fullStr | Threading of Unconcatenated Ring Polymers at High
Concentrations: Double-Folded vs Time-Equilibrated Structures |
title_full_unstemmed | Threading of Unconcatenated Ring Polymers at High
Concentrations: Double-Folded vs Time-Equilibrated Structures |
title_short | Threading of Unconcatenated Ring Polymers at High
Concentrations: Double-Folded vs Time-Equilibrated Structures |
title_sort | threading of unconcatenated ring polymers at high
concentrations: double-folded vs time-equilibrated structures |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6383510/ https://www.ncbi.nlm.nih.gov/pubmed/30800531 http://dx.doi.org/10.1021/acsmacrolett.8b00828 |
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