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Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane

We investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett. 117, 257801 (doi:10.1103/PhysRevLett.117.257801)) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending...

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Detalles Bibliográficos
Autores principales: Bowman, Clark, Chaplain, Mark, Matzavinos, Anastasios
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6458407/
https://www.ncbi.nlm.nih.gov/pubmed/31032022
http://dx.doi.org/10.1098/rsos.181657
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author Bowman, Clark
Chaplain, Mark
Matzavinos, Anastasios
author_facet Bowman, Clark
Chaplain, Mark
Matzavinos, Anastasios
author_sort Bowman, Clark
collection PubMed
description We investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett. 117, 257801 (doi:10.1103/PhysRevLett.117.257801)) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending on whether they are larger or smaller than a critical size which scales linearly with film thickness. Using dissipative particle dynamics, a particle-based simulation method, we investigate the same scenario for a lipid bilayer membrane whose structure is determined by lipid–water interactions. We simulate a perforated membrane in which holes larger than a critical radius grow, while holes smaller than the critical radius close, as in the experiment of Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett. 117, 257801 (doi:10.1103/PhysRevLett.117.257801)). By altering key system parameters such as the number of particles per lipid and the periodicity, we also describe scenarios in which pores of any initial size can seal or even remain stable, showing a fundamental difference in the behaviour of lipid membranes from polymer films.
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spelling pubmed-64584072019-04-26 Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane Bowman, Clark Chaplain, Mark Matzavinos, Anastasios R Soc Open Sci Mathematics We investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett. 117, 257801 (doi:10.1103/PhysRevLett.117.257801)) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending on whether they are larger or smaller than a critical size which scales linearly with film thickness. Using dissipative particle dynamics, a particle-based simulation method, we investigate the same scenario for a lipid bilayer membrane whose structure is determined by lipid–water interactions. We simulate a perforated membrane in which holes larger than a critical radius grow, while holes smaller than the critical radius close, as in the experiment of Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett. 117, 257801 (doi:10.1103/PhysRevLett.117.257801)). By altering key system parameters such as the number of particles per lipid and the periodicity, we also describe scenarios in which pores of any initial size can seal or even remain stable, showing a fundamental difference in the behaviour of lipid membranes from polymer films. The Royal Society 2019-03-06 /pmc/articles/PMC6458407/ /pubmed/31032022 http://dx.doi.org/10.1098/rsos.181657 Text en © 2019 The Authors. http://creativecommons.org/licenses/by/4.0/ Published by the Royal Society under the terms of the Creative Commons Attribution License http://creativecommons.org/licenses/by/4.0/, which permits unrestricted use, provided the original author and source are credited.
spellingShingle Mathematics
Bowman, Clark
Chaplain, Mark
Matzavinos, Anastasios
Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane
title Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane
title_full Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane
title_fullStr Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane
title_full_unstemmed Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane
title_short Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane
title_sort dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane
topic Mathematics
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6458407/
https://www.ncbi.nlm.nih.gov/pubmed/31032022
http://dx.doi.org/10.1098/rsos.181657
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