Effects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations
KAUST Grant NumberSA-C0040/UK-C0016
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AbstractEffects of mechanical properties and thermal motion of POPE lipid membrane on electroporation were studied by molecular dynamics simulations. Among simulations in which specific atoms of lipids were artificially constrained at their equilibrium positions using a spring with force constant of 2.0kcal/(molÅ2) in the external electric field of 1.4kcal/(molÅe), only constraint on lateral motions of lipid tails prohibited electroporation while non-tail parts had little effects. When force constant decreased to 0.2kcal/(molÅ2) in the position constraints on lipid tails in the external electric field of 2.0kcal/(molÅe), water molecules began to enter the membrane. Position constraints of lipid tails allow water to penetrate from both sides of membrane. Thermal motion of lipids can induce initial defects in the hydrophobic core of membrane, which are favorable nucleation sites for electroporation. Simulations at different temperatures revealed that as the temperature increases, the time taken to the initial pore formation will decrease. © 2010 Elsevier Inc.
CitationSun S, Yin G, Lee Y-K, Wong JTY, Zhang T-Y (2011) Effects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations. Biochemical and Biophysical Research Communications 404: 684–688. Available: http://dx.doi.org/10.1016/j.bbrc.2010.12.042.
SponsorsThe work was partially supported by a Research Project Competition Grant, RPC06/07.SC10, from the Hong Kong University of Science and Technology (HKUST) and partially supported by a grant from KAUST (Award No. SA-C0040/UK-C0016). S. Sun and Y.G. Yin were partially supported by the Bioengineering Graduate Program of HKUST.
CollectionsPublications Acknowledging KAUST Support
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- Issue date: 2011 Nov 17
- Structural and kinetic molecular dynamics study of electroporation in cholesterol-containing bilayers.
- Authors: Fernández ML, Marshall G, Sagués F, Reigada R
- Issue date: 2010 May 27
- Interface water dynamics and porating electric fields for phospholipid bilayers.
- Authors: Ziegler MJ, Vernier PT
- Issue date: 2008 Oct 30
- Molecular characterization of gel and liquid-crystalline structures of fully hydrated POPC and POPE bilayers.
- Authors: Leekumjorn S, Sum AK
- Issue date: 2007 May 31
- Nanosecond field alignment of head group and water dipoles in electroporating phospholipid bilayers.
- Authors: Vernier PT, Ziegler MJ
- Issue date: 2007 Nov 15