Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing Bilayers

Autores
Fernández, María Laura; Marshall, Guillermo Ricardo; Sagués, Francesc; Reigada, Ramon
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
Fil: Fernández, María Laura. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Computación. Ciencias Computacionales de la Vida, Simulación y Sistemas Complejos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria; Argentina
Fil: Marshall, Guillermo Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Computación. Ciencias Computacionales de la Vida, Simulación y Sistemas Complejos; Argentina
Fil: Sagués, Francesc. Universidad de Barcelona; España
Fil: Reigada, Ramon. Universidad de Barcelona; España
Materia
electroporation
lipid membranes
cholesterol
molecular dynamics
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/277651
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/277651
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing BilayersFernández, María LauraMarshall, Guillermo RicardoSagués, FrancescReigada, Ramonelectroporationlipid membranescholesterolmolecular dynamicshttps://purl.org/becyt/ford/1.7https://purl.org/becyt/ford/1We 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.Fil: Fernández, María Laura. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Computación. Ciencias Computacionales de la Vida, Simulación y Sistemas Complejos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria; ArgentinaFil: Marshall, Guillermo Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Computación. Ciencias Computacionales de la Vida, Simulación y Sistemas Complejos; ArgentinaFil: Sagués, Francesc. Universidad de Barcelona; EspañaFil: Reigada, Ramon. Universidad de Barcelona; EspañaAmerican Chemical Society2010-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/277651Fernández, María Laura; Marshall, Guillermo Ricardo; Sagués, Francesc; Reigada, Ramon; Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing Bilayers; American Chemical Society; Journal of Physical Chemistry B; 114; 20; 5-2010; 6855-68651520-6106CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp911605binfo:eu-repo/semantics/altIdentifier/doi/10.1021/jp911605binfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-12-23T13:43:02Zoai:ri.conicet.gov.ar:11336/277651instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-12-23 13:43:02.571CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing Bilayers
title Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing Bilayers
spellingShingle Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing Bilayers
Fernández, María Laura
electroporation
lipid membranes
cholesterol
molecular dynamics
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
dc.creator.none.fl_str_mv Fernández, María Laura
Marshall, Guillermo Ricardo
Sagués, Francesc
Reigada, Ramon
author Fernández, María Laura
author_facet Fernández, María Laura
Marshall, Guillermo Ricardo
Sagués, Francesc
Reigada, Ramon
author_role author
author2 Marshall, Guillermo Ricardo
Sagués, Francesc
Reigada, Ramon
author2_role author
author
author
dc.subject.none.fl_str_mv electroporation
lipid membranes
cholesterol
molecular dynamics
topic electroporation
lipid membranes
cholesterol
molecular dynamics
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.7
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv 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.
Fil: Fernández, María Laura. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Computación. Ciencias Computacionales de la Vida, Simulación y Sistemas Complejos; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria; Argentina
Fil: Marshall, Guillermo Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Ciudad Universitaria; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Computación. Ciencias Computacionales de la Vida, Simulación y Sistemas Complejos; Argentina
Fil: Sagués, Francesc. Universidad de Barcelona; España
Fil: Reigada, Ramon. Universidad de Barcelona; España
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.
publishDate 2010
dc.date.none.fl_str_mv 2010-05
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/277651
Fernández, María Laura; Marshall, Guillermo Ricardo; Sagués, Francesc; Reigada, Ramon; Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing Bilayers; American Chemical Society; Journal of Physical Chemistry B; 114; 20; 5-2010; 6855-6865
1520-6106
CONICET Digital
CONICET
url http://hdl.handle.net/11336/277651
identifier_str_mv Fernández, María Laura; Marshall, Guillermo Ricardo; Sagués, Francesc; Reigada, Ramon; Structural and Kinetic Molecular Dynamics Study of Electroporation in Cholesterol-Containing Bilayers; American Chemical Society; Journal of Physical Chemistry B; 114; 20; 5-2010; 6855-6865
1520-6106
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp911605b
info:eu-repo/semantics/altIdentifier/doi/10.1021/jp911605b
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 12.952241

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