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dc.contributor.authorSun, Sheng
dc.contributor.authorYin, Guangyao
dc.contributor.authorLee, Yi-Kuen
dc.contributor.authorWong, Joseph T.Y.
dc.contributor.authorZhang, Tong-Yi
dc.date.accessioned2016-02-25T13:12:11Z
dc.date.available2016-02-25T13:12:11Z
dc.date.issued2011-01
dc.identifier.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.
dc.identifier.issn0006-291X
dc.identifier.pmid21156156
dc.identifier.doi10.1016/j.bbrc.2010.12.042
dc.identifier.urihttp://hdl.handle.net/10754/598075
dc.description.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.
dc.description.sponsorshipThe 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.
dc.publisherElsevier BV
dc.subjectMechanical property
dc.subjectMembrane electroporation
dc.subjectMolecular dynamics simulations
dc.subjectThermal motion
dc.titleEffects of deformability and thermal motion of lipid membrane on electroporation: By molecular dynamics simulations
dc.typeArticle
dc.identifier.journalBiochemical and Biophysical Research Communications
dc.contributor.institutionHong Kong University of Science and Technology, Hong Kong, China
kaust.grant.numberSA-C0040/UK-C0016


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