Electropore Formation in Mechanically Constrained Phospholipid Bilayers

Molecular dynamics simulations of lipid bilayers in aqueous systems reveal how an applied electric field stabilizes the reorganization of the water–membrane interface into water-filled, membrane-spanning, conductive pores with a symmetric, toroidal geometry. The pore formation process and the result...

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Publicado: 2018
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Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222631_v251_n2_p237_Fernandez
http://hdl.handle.net/20.500.12110/paper_00222631_v251_n2_p237_Fernandez
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spelling paper:paper_00222631_v251_n2_p237_Fernandez2023-06-08T14:48:39Z Electropore Formation in Mechanically Constrained Phospholipid Bilayers Electroporation Molecular dynamics Phospholipid bilayer Position constraints 2 oleoyl 1 palmitoylphosphatidylcholine Article cell membrane channel gating covalent bond electric field electroporation extracellular matrix mechanical constraint molecular dynamics molecular model particle size phospholipid bilayer protein assembly simulation Molecular dynamics simulations of lipid bilayers in aqueous systems reveal how an applied electric field stabilizes the reorganization of the water–membrane interface into water-filled, membrane-spanning, conductive pores with a symmetric, toroidal geometry. The pore formation process and the resulting symmetric structures are consistent with other mathematical approaches such as continuum models formulated to describe the electroporation process. Some experimental data suggest, however, that the shape of lipid electropores in living cell membranes may be asymmetric. We describe here the axially asymmetric pores that form when mechanical constraints are applied to selected phospholipid atoms. Electropore formation proceeds even with severe constraints in place, but pore shape and pore formation time are affected. Since lateral and transverse movement of phospholipids may be restricted in cell membranes by covalent attachments to or non-covalent associations with other components of the membrane or to membrane-proximate intracellular or extracellular biomolecular assemblies, these lipid-constrained molecular models point the way to more realistic representations of cell membranes in electric fields. © 2017, Springer Science+Business Media, LLC, part of Springer Nature. 2018 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222631_v251_n2_p237_Fernandez http://hdl.handle.net/20.500.12110/paper_00222631_v251_n2_p237_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 Electroporation
Molecular dynamics
Phospholipid bilayer
Position constraints
2 oleoyl 1 palmitoylphosphatidylcholine
Article
cell membrane
channel gating
covalent bond
electric field
electroporation
extracellular matrix
mechanical constraint
molecular dynamics
molecular model
particle size
phospholipid bilayer
protein assembly
simulation
spellingShingle Electroporation
Molecular dynamics
Phospholipid bilayer
Position constraints
2 oleoyl 1 palmitoylphosphatidylcholine
Article
cell membrane
channel gating
covalent bond
electric field
electroporation
extracellular matrix
mechanical constraint
molecular dynamics
molecular model
particle size
phospholipid bilayer
protein assembly
simulation
Electropore Formation in Mechanically Constrained Phospholipid Bilayers
topic_facet Electroporation
Molecular dynamics
Phospholipid bilayer
Position constraints
2 oleoyl 1 palmitoylphosphatidylcholine
Article
cell membrane
channel gating
covalent bond
electric field
electroporation
extracellular matrix
mechanical constraint
molecular dynamics
molecular model
particle size
phospholipid bilayer
protein assembly
simulation
description Molecular dynamics simulations of lipid bilayers in aqueous systems reveal how an applied electric field stabilizes the reorganization of the water–membrane interface into water-filled, membrane-spanning, conductive pores with a symmetric, toroidal geometry. The pore formation process and the resulting symmetric structures are consistent with other mathematical approaches such as continuum models formulated to describe the electroporation process. Some experimental data suggest, however, that the shape of lipid electropores in living cell membranes may be asymmetric. We describe here the axially asymmetric pores that form when mechanical constraints are applied to selected phospholipid atoms. Electropore formation proceeds even with severe constraints in place, but pore shape and pore formation time are affected. Since lateral and transverse movement of phospholipids may be restricted in cell membranes by covalent attachments to or non-covalent associations with other components of the membrane or to membrane-proximate intracellular or extracellular biomolecular assemblies, these lipid-constrained molecular models point the way to more realistic representations of cell membranes in electric fields. © 2017, Springer Science+Business Media, LLC, part of Springer Nature.
title Electropore Formation in Mechanically Constrained Phospholipid Bilayers
title_short Electropore Formation in Mechanically Constrained Phospholipid Bilayers
title_full Electropore Formation in Mechanically Constrained Phospholipid Bilayers
title_fullStr Electropore Formation in Mechanically Constrained Phospholipid Bilayers
title_full_unstemmed Electropore Formation in Mechanically Constrained Phospholipid Bilayers
title_sort electropore formation in mechanically constrained phospholipid bilayers
publishDate 2018
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00222631_v251_n2_p237_Fernandez
http://hdl.handle.net/20.500.12110/paper_00222631_v251_n2_p237_Fernandez
_version_ 1768545314471411712