Size-controlled nanopores in lipid membranes with stabilizing electric fields

Biochemical and Biophysical Research Communications

Volumn 423, Issue 2, 2012, Pages 325-330

  Fernández, M Laura ^a,b,c   Risk, Marcelo ^a,b,c   Reigada, Ramon ^d   Vernier, P Thomas ^e  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b Facultad de Ciencias Naturales e Instituto M Lillo   (Argentina)

^c INSTITUTO TECNOLÓGICO DE BUENOS AIRES   (Argentina)

^d UNIVERSITY OF BARCELONA   (Spain)

^e University of Southern California ^*  (United States)

Author keywords

Electric field; Electroporation; Lipid membrane; Molecular dynamics; Stable size controlled Pores

Indexed keywords

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;

EID: 84862874324     PISSN: 0006291X     EISSN: 10902104     Source Type: Journal    
DOI: 10.1016/j.bbrc.2012.05.122     Document Type: Article

References (28)

1. Neumann E., Kakorin S., Toensing K. Fundamentals of electroporative delivery of drugs and genes. Bioelectrochem. Bioenerg. 1999, 48:3-16.
2. Tsong T.Y. Electroporation of cell membranes. Biophys. J. 1991, 60:297-306.
3. Belehradek M., Domenge C., Luboinski B., Orlowski S., Belehradek J., Mir L.M. Electrochemotherapy, a new antitumor treatment. Cancer 1993, 72:3694-3700.
4. Tieleman D.P. The molecular basis of electroporation. BMC Biochem. 2004, 5:10.
5. Tarek M. Membrane electroporation: a molecular dynamics study. Biophys. J. 2005, 88:4045-4053.
6. Ziegler M.J., Vernier P.T. Interface water dynamics and porating electric fields for phospholipid bilayers. J. Phys. Chem. B 2008, 112:13588-13596.
7. Levine Z.A., Vernier P.T. Life cycle of an electropore: field-dependent and field-independent steps in pore creation and annihilation. J. Membr. Biol. 2010, 236:27-36.
8. Fernández M.L., Marshall G., Sagués F., Reigada R. Structural and kinetic molecular dynamics study of electroporation in colesterol-containing bilayers. J. Phys. Chem. B 2010, 114:6855-6865.
9. Pakhomov A.G., Kolb J.F., White J.A., Joshi R.P., Xiao S., Schoenbach K.H. Long-lasting plasma membrane permeabilization in mammalian cells by nanosecond pulsed electric field (nsPEF). Bioelectromagnetics 2007, 28:655-663.
10. Böckmann R.A., de Groot B.L., Kakorin S., Neumann E., Grubmüller H. Kinetics, statistics, and energetics of lipid membrane electroporation studied by molecular dynamics simulations. Biophys. J. 2008, 95:1837-1850.
11. Piggot T.J., Holdbrook D.A., Khalid S. Electroporation of the E. coli and S. Aureus membranes: molecular dynamics simulations of complex bacterial membranes. J. Phys. Chem. B. 2011, 115:13381-13388.
12. Ohvo-Rekilä H., Ramstedt B., Leppimäki P., Slotte J.P. Cholesterol interactions with phospholipids in membranes. Prog. Lipid Res. 2002, 41:66-97.
13. Lindahl E., Hess B., van der Spoel D. GROMACS 3.0: a package for molecular simulation and trajectory analysis. J. Mol. Model. 2001, 7:306-317.
14. Berger O., Edholm O., Jahnig F. Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature. Biophys. J. 1997, 72:2002-2013.
15. Tieleman D.P., Berendsen H.J.C. Molecular dynamics simulations of a fully hydrated dipalmitoylphosphatidylcholine bilayer with different macroscopic boundary conditions and parameters. J. Chem. Phys. 1996, 105:4871-4880.
16. Bachar M., Brunelle P., Tieleman D.P., Rauk A. Molecular dynamics simulation of a polyunsaturated lipid bilayer susceptible to lipid peroxidation. J. Phys. Chem. B 2004, 108:7170-7179.
17. Martinez-Seara H., Róg T., Karttunen M., Reigada R., Vattulainen I. Influence of cis double-bond parametrization on lipid membrane properties: how seemingly insignificant details in force-field change even qualitative trends. J. Chem. Phys. 2008, 129:105103.
18. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., Hermans J. Interaction models for water in relation to protein hydration. Intermolecular Forces 1981, 331-342. Reidel, Dordrecht, The Netherlands. B. Pullman (Ed.).
19. 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. Biochim. Biophys. Acta 2001, 1511:156-167.
20. Miyamoto S., Kollman P.A. SETTLE: an analytical version of the SHAKE and RATTLE algorithms for rigid water models. J. Comp. Chem. 1992, 13:952-962.
21. Hess B., Bekker H., Berendsen H.J.C., Fraaije J.G.E.M. LINCS: a linear constraint solver for molecular simulations. J. Comput. Chem. 1997, 18:1463-1472.
22. Essman U., Perera L., Berkowitz M.L., Darden H.L.T. L.G.A Pedersen, smooth particle mesh Ewald method. J. Chem. Phys. 1995, 103:8577-8592.
23. 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. J. Chem. Phys. 1984, 81:3684-3690.
24. Martinez-Seara H., Róg T., Pasenkiewicz-Gierula M., Vattulainen I., Karttunen M., Reigada R. Effect of double bond position on lipid bilayer properties: insight through atomistic simulations. J. Phys. Chem. B. 2007, 111:11162-11168.
25. Martinez-Seara H., Róg T., Pasenkiewicz-Gierula M., Vattulainen I., Karttunen M., Reigada R. Interplay of unsaturated phospholipids and cholesterol in membranes: effect of the double-bond position. Biophys. J. 2008, 95:3295-3305.
26. W. Humphrey, A. Dalke, K. Schulten, VMD - Visual Molecular Dynamics. J. Molec. Graphics. 14 (1996) 33-38. http://www.ks.uiuc.edu/Research/vmd/.
27. http://www.python.org.
28. R Development Core Team, R: A Language and Environment for Statistical Computing, R Foundation for Statistical Computing, Vienna, Austria 2011, ISBN 3-900051-07-0.