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

34 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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10.1109/TPS.2006.876501

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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.",

keywords = "Cell response, Electroporation, Lipid membrane, Molecular dynamics",

author = "Qin Hu and Viswanadham Sridhara and Joshi, {Ravindra P.} and Kolb, {Juergen F.} and Schoenbach, {Karl H.}",

note = "Funding Information: Manuscript received September 14, 2005. This work was supported in part by the Air Force Office of Scientific Research under Grant F49620-01-1-0506 on Bio-Inspired Concepts and AFOSR-MURI Grant F49620-02-1-0320 on Subcellular Responses to Narrowband and Wideband Radio Frequency Radiation.",

year = "2006",

month = aug,

doi = "10.1109/TPS.2006.876501",

language = "English",

volume = "34",

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journal = "IEEE Transactions on Plasma Science",

issn = "0093-3813",

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AU - Hu, Qin

AU - Sridhara, Viswanadham

AU - Joshi, Ravindra P.

AU - Kolb, Juergen F.

AU - Schoenbach, Karl H.

N1 - Funding Information: Manuscript received September 14, 2005. This work was supported in part by the Air Force Office of Scientific Research under Grant F49620-01-1-0506 on Bio-Inspired Concepts and AFOSR-MURI Grant F49620-02-1-0320 on Subcellular Responses to Narrowband and Wideband Radio Frequency Radiation.

PY - 2006/8

Y1 - 2006/8

N2 - 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.

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.

KW - Cell response

KW - Electroporation

KW - Lipid membrane

KW - Molecular dynamics

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DO - 10.1109/TPS.2006.876501

M3 - Article

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VL - 34

SP - 1405

EP - 1411

JO - IEEE Transactions on Plasma Science

JF - IEEE Transactions on Plasma Science

SN - 0093-3813

IS - 4 II

ER -

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

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Keywords

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