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Formation Mechanism and Properties of Polyelectrolyte Multilayer-Supported Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study

[Image: see text] Polyelectrolyte multilayer (PEM)-supported lipid bilayers (SLBs) that connect with functional proteins are popular models for cell membranes and are usually obtained via vesicle adsorption and spreading. However, the exact mechanism by which SLBs are formed is not fully understood....

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Autores principales: Wen, Caixia, Wan, Mingwei, Li, Xiaoxu, He, Qiang, Gao, Lianghui, Fang, Weihai
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641172/
https://www.ncbi.nlm.nih.gov/pubmed/31457479
http://dx.doi.org/10.1021/acsomega.7b00198
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author Wen, Caixia
Wan, Mingwei
Li, Xiaoxu
He, Qiang
Gao, Lianghui
Fang, Weihai
author_facet Wen, Caixia
Wan, Mingwei
Li, Xiaoxu
He, Qiang
Gao, Lianghui
Fang, Weihai
author_sort Wen, Caixia
collection PubMed
description [Image: see text] Polyelectrolyte multilayer (PEM)-supported lipid bilayers (SLBs) that connect with functional proteins are popular models for cell membranes and are usually obtained via vesicle adsorption and spreading. However, the exact mechanism by which SLBs are formed is not fully understood. In this study, we employ coarse-grained molecular dynamics simulations to investigate the pathways by which vesicles undergo spreading upon the deposition on PEM-cushioned substrates. The substrates consist of positive chitosan (CHI)/negative alginate (ALG) multilayers. We find that an isolated vesicle tends to completely disintegrate upon deposition, forming a well-ordered lipid bilayer at appropriate polymer ionic strengths by a mechanism described as “parachute” model. Lipids from the vesicle’s outer leaflet are predominantly oriented toward the bulk after the formation of the SLB. The PEM cushion provides adsorption energy of 26.9 kJ mol(–1) per lipid for the SLBs. The process by which SLBs are formed is almost independent of the number of layers of CHI/ALG in the PEM cushion. Additional simulations on vesicle clusters also demonstrate that the formation of SLBs can be catalyzed by either neighboring vesicles or preexisting bilayer edges on the support. Moreover, our simulations show that SLBs created on PEM supports preserve the lateral mobility and the symmetric density profile of the phospholipids, as in a freestanding bilayer.
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spelling pubmed-66411722019-08-27 Formation Mechanism and Properties of Polyelectrolyte Multilayer-Supported Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study Wen, Caixia Wan, Mingwei Li, Xiaoxu He, Qiang Gao, Lianghui Fang, Weihai ACS Omega [Image: see text] Polyelectrolyte multilayer (PEM)-supported lipid bilayers (SLBs) that connect with functional proteins are popular models for cell membranes and are usually obtained via vesicle adsorption and spreading. However, the exact mechanism by which SLBs are formed is not fully understood. In this study, we employ coarse-grained molecular dynamics simulations to investigate the pathways by which vesicles undergo spreading upon the deposition on PEM-cushioned substrates. The substrates consist of positive chitosan (CHI)/negative alginate (ALG) multilayers. We find that an isolated vesicle tends to completely disintegrate upon deposition, forming a well-ordered lipid bilayer at appropriate polymer ionic strengths by a mechanism described as “parachute” model. Lipids from the vesicle’s outer leaflet are predominantly oriented toward the bulk after the formation of the SLB. The PEM cushion provides adsorption energy of 26.9 kJ mol(–1) per lipid for the SLBs. The process by which SLBs are formed is almost independent of the number of layers of CHI/ALG in the PEM cushion. Additional simulations on vesicle clusters also demonstrate that the formation of SLBs can be catalyzed by either neighboring vesicles or preexisting bilayer edges on the support. Moreover, our simulations show that SLBs created on PEM supports preserve the lateral mobility and the symmetric density profile of the phospholipids, as in a freestanding bilayer. American Chemical Society 2017-03-15 /pmc/articles/PMC6641172/ /pubmed/31457479 http://dx.doi.org/10.1021/acsomega.7b00198 Text en Copyright © 2017 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Wen, Caixia
Wan, Mingwei
Li, Xiaoxu
He, Qiang
Gao, Lianghui
Fang, Weihai
Formation Mechanism and Properties of Polyelectrolyte Multilayer-Supported Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study
title Formation Mechanism and Properties of Polyelectrolyte Multilayer-Supported Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study
title_full Formation Mechanism and Properties of Polyelectrolyte Multilayer-Supported Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study
title_fullStr Formation Mechanism and Properties of Polyelectrolyte Multilayer-Supported Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study
title_full_unstemmed Formation Mechanism and Properties of Polyelectrolyte Multilayer-Supported Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study
title_short Formation Mechanism and Properties of Polyelectrolyte Multilayer-Supported Lipid Bilayers: A Coarse-Grained Molecular Dynamics Study
title_sort formation mechanism and properties of polyelectrolyte multilayer-supported lipid bilayers: a coarse-grained molecular dynamics study
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6641172/
https://www.ncbi.nlm.nih.gov/pubmed/31457479
http://dx.doi.org/10.1021/acsomega.7b00198
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