Artículo

El editor solo permite decargar el artículo en su versión post-print desde el repositorio. Por favor, si usted posee dicha versión, enviela a
Consulte el artículo en la página del editor
Consulte la política de Acceso Abierto del editor

Abstract:

Pores can be generated in lipid membranes by the application of an external electric field or by the addition of particular chemicals such as dimethyl sulfoxide (DMSO). Molecular dynamics (MD) has been shown to be a useful tool for unveiling many aspects of pore formation in lipid membranes in both situations. By means of MD simulations, we address the formation of electropores in cholesterol-containing lipid bilayers under the influence of DMSO. We show how a combination of physical and chemical mechanisms leads to more favorable conditions for generating membrane pores and, in particular, how the addition of DMSO to the medium significantly reduces the minimum electric field required to electroporate a lipid membrane. The strong alteration of membrane transversal properties and the energetic stabilization of the hydrophobic pore stage by DMSO provide the physicochemical mechanisms that explain this effect. © 2014 American Chemical Society.

Registro:

Documento: Artículo
Título:Effects of dimethyl sulfoxide on lipid membrane electroporation
Autor:Fernández, M.L.; Reigada, R.
Filiación: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
Departamento de Bioingeniería, Instituto Tecnológico de Buenos Aires, Buenos Aires, Argentina
Department de Química Física, Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Barcelona, Spain
Palabras clave:Dimethyl sulfoxide; Electric fields; Lipid bilayers; Lipids; Molecular dynamics; Chemical mechanism; Dimethyl sulfoxide (DMSO); External electric field; Favorable conditions; Hydrophobic pore; Lipid membranes; Membrane pores; Physico-chemical mechanisms; Organic solvents; 1,2-oleoylphosphatidylcholine; cholesterol; dimethyl sulfoxide; lipid bilayer; phosphatidylcholine; chemical phenomena; chemistry; electroporation; lipid bilayer; molecular dynamics; porosity; pressure; procedures; Cholesterol; Dimethyl Sulfoxide; Electroporation; Hydrophobic and Hydrophilic Interactions; Lipid Bilayers; Molecular Dynamics Simulation; Phosphatidylcholines; Porosity; Pressure
Año:2014
Volumen:118
Número:31
Página de inicio:9306
Página de fin:9312
DOI: http://dx.doi.org/10.1021/jp503502s
Título revista:Journal of Physical Chemistry B
Título revista abreviado:J Phys Chem B
ISSN:15206106
CODEN:JPCBF
CAS:cholesterol, 57-88-5; dimethyl sulfoxide, 67-68-5; phosphatidylcholine, 55128-59-1, 8002-43-5; 1,2-oleoylphosphatidylcholine; Cholesterol; Dimethyl Sulfoxide; Lipid Bilayers; Phosphatidylcholines
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15206106_v118_n31_p9306_Fernandez

Referencias:

  • Tsong, T.Y., Electroporation of cell membranes (1991) Biophys. J., 60, pp. 297-306
  • Neumann, E., Kakorin, S., Toensing, K., Fundamentals of electroporative delivery of drugs and genes (1999) Bioelectrochem. Bioenerg., 48, pp. 3-16
  • Belehradek M, M., Domenge, C., Luboinski, B., Orlowski, S., Belehradek, J., Mir, L.L.M., Electrochemotherapy, a new antitumor treatment (1993) Cancer, 72, pp. 3694-3700
  • Kligman, A.M., Topical pharmacology and toxicology of dimethylsulfoxide (1965) J. Am. Med. Assoc., 193, pp. 194-195
  • De Ménorval, M.-A., Mir, L.L.M., Fernández, M.L., Reigada, R., Effects of Dimethyl Sulfoxide in Cholesterol-Containing Lipid Membranes: A Comparative Study of Experiments in Silico and with Cell (2012) PLoS One, 7, p. 41733
  • Tieleman, D.P., The molecular basis of electroporation (2004) BMC Biochem., 5, p. 10
  • Tarek, M., Membrane electroporation: A molecular dynamics study (2005) Biophys. J., 88, pp. 4045-4053
  • Levine, Z.A., Vernier, P.T., Life cycle of an electropore: Field-dependent and field-independent steps in pore creation and annihilation (2010) J. Membr. Biol., 236, pp. 27-36
  • Fernández, M.L., Marshall, G., Sagués, F., Reigada, R., Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers (2010) J. Phys. Chem. B, 114, pp. 6855-6865
  • Gurtovenko, A.A., Anwar, J., Vattulainen, I., Defect-mediated trafficking across cell membranes: Insights from in silico modeling (2010) Chem. Rev., 110, pp. 6077-6103
  • Gurtovenko, A.A., Anwar, J., Modulating the structure and properties of cell membranes: The molecular mechanism of action of dimethyl sulfoxide (2007) J. Phys. Chem. B, 111, pp. 10453-10460
  • Notman, R., Noro, M.G., O'Malley, B., Anwar, J., Molecular basis for dimethylsulfoxide (DMSO) action on lipid membranes (2006) J. Am. Chem. Soc., 128, pp. 13982-13983
  • Tokman, M., Lee, J.H., Levine, Z.A., Ho, M.-C., Colvin, M.E., Vernier, P.T., Electric field-driven water dipoles: Nanoscale architecture of electroporation (2013) PLoS One, 8, p. 61111
  • Ho, M.-C., Casciola, M., Levine, Z.A., Vernier, P.T., Molecular dynamics simulations of ion conductance in field-stabilized nanoscale lipid electropores (2013) J. Phys. Chem. B, 117, pp. 11633-11640
  • Casciola, M., Bonhenry, D., Liberti, M., Apollonio, F., Tarek, M., A molecular study of cholesterol rich lipid membranes: Comparison of electroporation protocols (2014) Bioelectrochemistry, , in press
  • Dehez, F., Delemotte, L., Kramar, P., Miklavčič, D., Tarek, M., Evidence of conducting hydrophobic nanopores across membranes in response to an electric field (2014) J. Phys. Chem. C, 118, pp. 6752-6757
  • Polak, A., Bonhenry, D., Dehez, F., Kramar, P., Miklavčič, D., Tarek, M., On the electroporation thresholds of lipid bilayers: Molecular dynamics simulation investigations (2013) J. Membr. Biol., 246, pp. 843-850
  • Polak, A., Tarek, M., Tomšič, M., Valant, J., Ulrih, N.P., Jamnik, A., Kramar, P., Miklavčič, D., Electroporation of archaeal lipid membranes using MD simulations (2014) Bioelectrochemistry, , in press
  • Melkonyan, H., Sorg, C., Klempt, M., Electroporation efficiency in mammalian cells is increased by dimethyl sulfoxide (DMSO) (1996) Nucleic Acids Res., 24, pp. 4356-4357
  • Lindahl, E., Hess B, B., Van Der Spoel, D., GROMACS 3.0: A package for molecular simulation and trajectory analysis (2001) J. Mol. Model., 7, pp. 306-317
  • Berger, O., Edholm, O., Jahnig, F., Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature (1997) Biophys. J., 72, pp. 2002-2013
  • Martinez-Seara, H., Róg, T., Karttunen, M., Reigada, R., Vattulainen, I., Influence of cis double-bond parameterization on lipid membrane properties: How seemingly insignificant details in force-field change even qualitative trends (2008) J. Chem. Phys., 129, p. 105103
  • Berendsen, H.J.C., Postma, J.P.M., Van Gunsteren, W.F., Hermans, J., Interaction models for water in relation to protein hydration (1981) Intermolecular Forces, , In; Pullman, B. Reidel: Dordrecht, The Netherlands
  • Holtje, M., Forster, T., Brandt, B., Engels, T., Von Rybinski, W., Holtje, H.-D., Molecular dynamics simulations of stratum corneum lipid models: Fatty acids and cholesterol (2001) Biochim. Biophys. Acta, 1511, pp. 156-167
  • Miyamoto, S., Kollman, P.A., SETTLE: An analytical version of the SHAKE and RATTLE algorithms for rigid water models (1992) J. Comput. Chem., 13, pp. 952-962
  • Hess, B., Bekker, H., Berendsen, H.J.C., Fraaije, J.G.E.M., LINCS: A linear constraint solver for molecular simulations (1997) J. Comput. Chem., 18, pp. 1463-1472
  • Essman, U., Perera, L., Berkowitz, M.L., Darden, H.L.T., Pedersen, L.G., A smooth particle mesh Ewald method (1995) J. Chem. Phys., 103, pp. 8577-8592
  • Berendsen, H.J.C., Postma, J.P.M., Van Gunsteren, W.F., Dinola, A., Haak, J.R., Molecular dynamics with coupling to an external bath (1984) J. Chem. Phys., 81, pp. 3684-3690
  • Martinez-Seara, H., Róg, T., Pasenkiewicz-Gierula, M., Vattulainen, I., Karttunen, M., Reigada, R., Interplay of unsaturated phospholipids and cholesterol in membranes: Effect of double-bond position (2008) Biophys. J., 95, pp. 3295-3305
  • Bordat, P., Sacristan, J., Reith, D., Girard, S., Glätti, A., An improved dimethyl sulfoxide force field for molecular dynamics simulations (2003) Chem. Phys. Lett., 374, pp. 201-205
  • Delemotte, L., Tarek, M., Molecular dynamics simulations of lipid membrane electroporation (2012) J. Membr. Biol., 245, pp. 531-543
  • Gurtovenko, A.A., Vattulainen, I., Calculation of the electrostatic potential on lipid bilayers from molecular dynamics simulations: Methodological issues (2009) J. Chem. Phys., 130, p. 215107
  • Ollila, S., Hyvönen, M.T., Vattulainen, I., Polyunsaturation in lipid membranes: Dynamic properties and lateral pressure profiles (2007) J. Phys. Chem. B, 111, pp. 3139-3150
  • Koronkiewicz, S., Kalinowski, S., Influence of cholesterol on electroporation of bilayer lipid membranes: Chronopotentiometric studies (2004) Biochim. Biophys. Acta, 1661, pp. 196-203
  • Crowley, J.M., Electrical breakdown of bimolecular lipid membranes as an electromechanical instability (1973) Biophys. J., 13, pp. 711-724
  • Needham, D., Hochmuth, R.M., Electro-mechanical permeabilization of lipid vesicles. Role of membrane tension and compressibility (1989) Biophys. J., 55, pp. 1001-1009

Citas:

---------- APA ----------
Fernández, M.L. & Reigada, R. (2014) . Effects of dimethyl sulfoxide on lipid membrane electroporation. Journal of Physical Chemistry B, 118(31), 9306-9312.
http://dx.doi.org/10.1021/jp503502s
---------- CHICAGO ----------
Fernández, M.L., Reigada, R. "Effects of dimethyl sulfoxide on lipid membrane electroporation" . Journal of Physical Chemistry B 118, no. 31 (2014) : 9306-9312.
http://dx.doi.org/10.1021/jp503502s
---------- MLA ----------
Fernández, M.L., Reigada, R. "Effects of dimethyl sulfoxide on lipid membrane electroporation" . Journal of Physical Chemistry B, vol. 118, no. 31, 2014, pp. 9306-9312.
http://dx.doi.org/10.1021/jp503502s
---------- VANCOUVER ----------
Fernández, M.L., Reigada, R. Effects of dimethyl sulfoxide on lipid membrane electroporation. J Phys Chem B. 2014;118(31):9306-9312.
http://dx.doi.org/10.1021/jp503502s