Size-controlled nanopores in lipid membranes with stabilizing electric fields

Molecular dynamics (MD) has been shown to be a useful tool for unveiling many aspects of pore formation in lipid membranes under the influence of an applied electric field. However, the study of the structure and transport properties of electropores by means of MD has been hampered by difficulties i...

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Autores principales: Fernández, M.L., Risk, M., Reigada, R., Vernier, P.T.
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Acceso en línea:http://hdl.handle.net/20.500.12110/paper_0006291X_v423_n2_p325_Fernandez
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spelling todo:paper_0006291X_v423_n2_p325_Fernandez2023-10-03T14:04:01Z Size-controlled nanopores in lipid membranes with stabilizing electric fields Fernández, M.L. Risk, M. Reigada, R. Vernier, P.T. Electric field Electroporation Lipid membrane Molecular dynamics Stable size-controlled Pores article channel gating controlled study electric field limit of quantitation molecular model nanopore phospholipid bilayer priority journal simulation Electricity Electromagnetic Fields Lipid Bilayers Molecular Dynamics Simulation Nanopores Molecular dynamics (MD) has been shown to be a useful tool for unveiling many aspects of pore formation in lipid membranes under the influence of an applied electric field. However, the study of the structure and transport properties of electropores by means of MD has been hampered by difficulties in the maintenance of a stable electropore in the typically small simulated membrane patches. We describe a new simulation scheme in which an initially larger porating field is systematically reduced after pore formation to lower stabilizing values to produce stable, size-controlled electropores, which can then be characterized at the molecular level. A new method allows the three-dimensional modeling of the irregular shape of the pores obtained as well as the quantification of its volume. The size of the pore is a function of the value of the stabilizing field. At lower fields the pore disappears and the membrane recovers its normal shape, although in some cases long-lived, fragmented pores containing unusual lipid orientations in the bilayer are observed. © 2012 Elsevier Inc. Fil:Fernández, M.L. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_0006291X_v423_n2_p325_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 Electric field
Electroporation
Lipid membrane
Molecular dynamics
Stable size-controlled Pores
article
channel gating
controlled study
electric field
limit of quantitation
molecular model
nanopore
phospholipid bilayer
priority journal
simulation
Electricity
Electromagnetic Fields
Lipid Bilayers
Molecular Dynamics Simulation
Nanopores
spellingShingle Electric field
Electroporation
Lipid membrane
Molecular dynamics
Stable size-controlled Pores
article
channel gating
controlled study
electric field
limit of quantitation
molecular model
nanopore
phospholipid bilayer
priority journal
simulation
Electricity
Electromagnetic Fields
Lipid Bilayers
Molecular Dynamics Simulation
Nanopores
Fernández, M.L.
Risk, M.
Reigada, R.
Vernier, P.T.
Size-controlled nanopores in lipid membranes with stabilizing electric fields
topic_facet Electric field
Electroporation
Lipid membrane
Molecular dynamics
Stable size-controlled Pores
article
channel gating
controlled study
electric field
limit of quantitation
molecular model
nanopore
phospholipid bilayer
priority journal
simulation
Electricity
Electromagnetic Fields
Lipid Bilayers
Molecular Dynamics Simulation
Nanopores
description Molecular dynamics (MD) has been shown to be a useful tool for unveiling many aspects of pore formation in lipid membranes under the influence of an applied electric field. However, the study of the structure and transport properties of electropores by means of MD has been hampered by difficulties in the maintenance of a stable electropore in the typically small simulated membrane patches. We describe a new simulation scheme in which an initially larger porating field is systematically reduced after pore formation to lower stabilizing values to produce stable, size-controlled electropores, which can then be characterized at the molecular level. A new method allows the three-dimensional modeling of the irregular shape of the pores obtained as well as the quantification of its volume. The size of the pore is a function of the value of the stabilizing field. At lower fields the pore disappears and the membrane recovers its normal shape, although in some cases long-lived, fragmented pores containing unusual lipid orientations in the bilayer are observed. © 2012 Elsevier Inc.
format JOUR
author Fernández, M.L.
Risk, M.
Reigada, R.
Vernier, P.T.
author_facet Fernández, M.L.
Risk, M.
Reigada, R.
Vernier, P.T.
author_sort Fernández, M.L.
title Size-controlled nanopores in lipid membranes with stabilizing electric fields
title_short Size-controlled nanopores in lipid membranes with stabilizing electric fields
title_full Size-controlled nanopores in lipid membranes with stabilizing electric fields
title_fullStr Size-controlled nanopores in lipid membranes with stabilizing electric fields
title_full_unstemmed Size-controlled nanopores in lipid membranes with stabilizing electric fields
title_sort size-controlled nanopores in lipid membranes with stabilizing electric fields
url http://hdl.handle.net/20.500.12110/paper_0006291X_v423_n2_p325_Fernandez
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AT reigadar sizecontrollednanoporesinlipidmembraneswithstabilizingelectricfields
AT vernierpt sizecontrollednanoporesinlipidmembraneswithstabilizingelectricfields
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