Abstract:
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.
Registro:
Documento: |
Artículo
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Título: | Size-controlled nanopores in lipid membranes with stabilizing electric fields |
Autor: | Fernández, M.L.; Risk, M.; Reigada, R.; Vernier, P.T. |
Filiación: | Laboratorio de Sistemas Complejos, Departamento de Computación, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina Consejo Nacional de Investigaciones Científicas y Técnicas, Buenos Aires, Argentina Area de Bioingeniería, Instituto Tecnológico de Buenos Aires, Buenos Aires, Argentina Dept. de Quimica Fisica, Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Barcelona, Spain Ming Hsieh Department of Electrical Engineering, Viterbi School of Engineering, University of Southern California, Los Angeles, CA, United States
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Palabras clave: | 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 |
Año: | 2012
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Volumen: | 423
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Número: | 2
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Página de inicio: | 325
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Página de fin: | 330
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DOI: |
http://dx.doi.org/10.1016/j.bbrc.2012.05.122 |
Título revista: | Biochemical and Biophysical Research Communications
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Título revista abreviado: | Biochem. Biophys. Res. Commun.
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ISSN: | 0006291X
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CODEN: | BBRCA
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CAS: | Lipid Bilayers
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0006291X_v423_n2_p325_Fernandez |
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Citas:
---------- APA ----------
Fernández, M.L., Risk, M., Reigada, R. & Vernier, P.T.
(2012)
. Size-controlled nanopores in lipid membranes with stabilizing electric fields. Biochemical and Biophysical Research Communications, 423(2), 325-330.
http://dx.doi.org/10.1016/j.bbrc.2012.05.122---------- CHICAGO ----------
Fernández, M.L., Risk, M., Reigada, R., Vernier, P.T.
"Size-controlled nanopores in lipid membranes with stabilizing electric fields"
. Biochemical and Biophysical Research Communications 423, no. 2
(2012) : 325-330.
http://dx.doi.org/10.1016/j.bbrc.2012.05.122---------- MLA ----------
Fernández, M.L., Risk, M., Reigada, R., Vernier, P.T.
"Size-controlled nanopores in lipid membranes with stabilizing electric fields"
. Biochemical and Biophysical Research Communications, vol. 423, no. 2, 2012, pp. 325-330.
http://dx.doi.org/10.1016/j.bbrc.2012.05.122---------- VANCOUVER ----------
Fernández, M.L., Risk, M., Reigada, R., Vernier, P.T. Size-controlled nanopores in lipid membranes with stabilizing electric fields. Biochem. Biophys. Res. Commun. 2012;423(2):325-330.
http://dx.doi.org/10.1016/j.bbrc.2012.05.122