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Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers

This work provides mesoscale models for the anomalous diffusion of a polymer chain on a heterogeneous surface with rearranging randomly distributed adsorption sites. Both the “bead-spring” model and oxDNA model were simulated on supported lipid bilayer membranes with various molar fractions of charg...

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Autores principales: Yu, Shi, Zhao, Jianqiao, Chu, Ruizhi, Li, Xiao, Wu, Guoguang, Meng, Xianliang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10217107/
https://www.ncbi.nlm.nih.gov/pubmed/37238551
http://dx.doi.org/10.3390/e25050796
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author Yu, Shi
Zhao, Jianqiao
Chu, Ruizhi
Li, Xiao
Wu, Guoguang
Meng, Xianliang
author_facet Yu, Shi
Zhao, Jianqiao
Chu, Ruizhi
Li, Xiao
Wu, Guoguang
Meng, Xianliang
author_sort Yu, Shi
collection PubMed
description This work provides mesoscale models for the anomalous diffusion of a polymer chain on a heterogeneous surface with rearranging randomly distributed adsorption sites. Both the “bead-spring” model and oxDNA model were simulated on supported lipid bilayer membranes with various molar fractions of charged lipids, using Brownian dynamics method. Our simulation results demonstrate that “bead-spring” chains exhibit sub-diffusion on charged lipid bilayers which agrees with previous experimental observations for short-time dynamics of DNA segments on membranes. In addition, the non-Gaussian diffusive behaviors of DNA segments have not been observed in our simulations. However, a simulated 17 base pairs double stranded DNA, using oxDNA model, performs normal diffusion on supported cationic lipid bilayers. Due to the number of positively charged lipids attracted by short DNA is small, the energy landscape that the short DNA experiences during diffusion is not as heterogeneous as that experienced by long DNA chains, which results in normal diffusion rather than sub-diffusion for short DNA.
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spelling pubmed-102171072023-05-27 Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers Yu, Shi Zhao, Jianqiao Chu, Ruizhi Li, Xiao Wu, Guoguang Meng, Xianliang Entropy (Basel) Article This work provides mesoscale models for the anomalous diffusion of a polymer chain on a heterogeneous surface with rearranging randomly distributed adsorption sites. Both the “bead-spring” model and oxDNA model were simulated on supported lipid bilayer membranes with various molar fractions of charged lipids, using Brownian dynamics method. Our simulation results demonstrate that “bead-spring” chains exhibit sub-diffusion on charged lipid bilayers which agrees with previous experimental observations for short-time dynamics of DNA segments on membranes. In addition, the non-Gaussian diffusive behaviors of DNA segments have not been observed in our simulations. However, a simulated 17 base pairs double stranded DNA, using oxDNA model, performs normal diffusion on supported cationic lipid bilayers. Due to the number of positively charged lipids attracted by short DNA is small, the energy landscape that the short DNA experiences during diffusion is not as heterogeneous as that experienced by long DNA chains, which results in normal diffusion rather than sub-diffusion for short DNA. MDPI 2023-05-13 /pmc/articles/PMC10217107/ /pubmed/37238551 http://dx.doi.org/10.3390/e25050796 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Yu, Shi
Zhao, Jianqiao
Chu, Ruizhi
Li, Xiao
Wu, Guoguang
Meng, Xianliang
Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers
title Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers
title_full Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers
title_fullStr Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers
title_full_unstemmed Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers
title_short Anomalous Diffusion of Polyelectrolyte Segments on Supported Charged Lipid Bilayers
title_sort anomalous diffusion of polyelectrolyte segments on supported charged lipid bilayers
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10217107/
https://www.ncbi.nlm.nih.gov/pubmed/37238551
http://dx.doi.org/10.3390/e25050796
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