Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers

We present a numerical study of pore formation in lipid bilayers containing cholesterol (Chol) and subjected to a transverse electric field. Molecular dynamics simulations of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DOPC) membranes reveal the formation of a pore when an electric field of 32...

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Publicado:	2010
Materias:	Cholesterol Electric fields Molecular dynamics Pore size Bi-layer Electroporation Membrane permeabilization Molecular dynamics simulations Numerical studies Phosphatidylcholine Pore formation Transverse electric field Lipid bilayers
Acceso en línea:	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15206106_v114_n20_p6855_Fernandez http://hdl.handle.net/20.500.12110/paper_15206106_v114_n20_p6855_Fernandez
Aporte de:	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

id	paper:paper_15206106_v114_n20_p6855_Fernandez
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spelling	paper:paper_15206106_v114_n20_p6855_Fernandez2023-06-08T16:19:04Z Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers Cholesterol Electric fields Molecular dynamics Pore size Bi-layer Electroporation Membrane permeabilization Molecular dynamics simulations Numerical studies Phosphatidylcholine Pore formation Transverse electric field Lipid bilayers We present a numerical study of pore formation in lipid bilayers containing cholesterol (Chol) and subjected to a transverse electric field. Molecular dynamics simulations of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DOPC) membranes reveal the formation of a pore when an electric field of 325 mV/nm is applied. The minimum electric field needed for membrane permeabilization strongly increases with the addition of cholesterol above 10 mol %, reaching 750 mV/nm for 40 mol % Chol. Analysis of simulations of DOPC/Chol bilayers suggests this is caused by a substantial increment of membrane cohesion. Simulations also show that pore formation kinetics is much slower at high Chol contents. © 2010 American Chemical Society. 2010 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15206106_v114_n20_p6855_Fernandez http://hdl.handle.net/20.500.12110/paper_15206106_v114_n20_p6855_Fernandez
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-134
collection	Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic	Cholesterol Electric fields Molecular dynamics Pore size Bi-layer Electroporation Membrane permeabilization Molecular dynamics simulations Numerical studies Phosphatidylcholine Pore formation Transverse electric field Lipid bilayers
spellingShingle	Cholesterol Electric fields Molecular dynamics Pore size Bi-layer Electroporation Membrane permeabilization Molecular dynamics simulations Numerical studies Phosphatidylcholine Pore formation Transverse electric field Lipid bilayers Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers
topic_facet	Cholesterol Electric fields Molecular dynamics Pore size Bi-layer Electroporation Membrane permeabilization Molecular dynamics simulations Numerical studies Phosphatidylcholine Pore formation Transverse electric field Lipid bilayers
description	We present a numerical study of pore formation in lipid bilayers containing cholesterol (Chol) and subjected to a transverse electric field. Molecular dynamics simulations of 1,2-dipalmitoyl-sn-glycero-3-phosphatidylcholine (DOPC) membranes reveal the formation of a pore when an electric field of 325 mV/nm is applied. The minimum electric field needed for membrane permeabilization strongly increases with the addition of cholesterol above 10 mol %, reaching 750 mV/nm for 40 mol % Chol. Analysis of simulations of DOPC/Chol bilayers suggests this is caused by a substantial increment of membrane cohesion. Simulations also show that pore formation kinetics is much slower at high Chol contents. © 2010 American Chemical Society.
title	Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers
title_short	Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers
title_full	Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers
title_fullStr	Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers
title_full_unstemmed	Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers
title_sort	structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers
publishDate	2010
url	https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15206106_v114_n20_p6855_Fernandez http://hdl.handle.net/20.500.12110/paper_15206106_v114_n20_p6855_Fernandez
_version_	1768545664580452352

Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers

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