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

doi:10.1109/TPS.2006.876501

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

Electrical and Computer Engineering

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	1405-1411
Number of pages	7
Journal	IEEE Transactions on Plasma Science
Volume	34
Issue number	4 II
DOIs	https://doi.org/10.1109/TPS.2006.876501
State	Published - Aug 2006

Keywords

Cell response
Electroporation
Lipid membrane
Molecular dynamics

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title = "Molecular dynamics analysis of high electric pulse effects on bilayer membranes containing DPPC and DPPS",

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.",

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AU - Hu, Qin

AU - Sridhara, Viswanadham

AU - Joshi, Ravindra P.

AU - Kolb, Juergen F.

AU - Schoenbach, Karl H.

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AB - 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.

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