Molecular dynamics analysis of high electric pulse effects on bilayer membranes containing DPPC and DPPS

Qin Hu, Viswanadham Sridhara, Ravindra P. Joshi, Juergen F. Kolb, Karl H. Schoenbach

Research output: Contribution to journalArticlepeer-review

32 Scopus citations

Abstract

A molecular dynamics simulator is used to analyze the electrically driven membrane effects in cells due to ultrashort pulses. Time dependence of nanopore formation at membranes in response to a high-intensity (∼ 100 kV/cm), nanosecond electric pulse is probed. The results show that the nanosized pores could typically be formed in ∼ 5-6 ns. Phosphatidylserine externalization is shown to occur as a pore-mediated event, rather than a translocation across an energy barrier. The predictions are in a very good agreement with the recent experimental data, including the preference for "anode-side" initiation. Finally, it is shown that the molecular system could potentially evolve from an initial multiple nanopore state to a system dominated by larger sized pores.

Original languageEnglish
Pages (from-to)1405-1411
Number of pages7
JournalIEEE Transactions on Plasma Science
Volume34
Issue number4 II
DOIs
StatePublished - Aug 2006

Keywords

  • Cell response
  • Electroporation
  • Lipid membrane
  • Molecular dynamics

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