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Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane

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Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane. / Bowman, Clark; Chaplain, Mark; Matzavinos, Anastasios.

In: Royal Society Open Science, Vol. 6, No. 3, 06.03.2019.

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Bowman, C, Chaplain, M & Matzavinos, A 2019, 'Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane', Royal Society Open Science, vol. 6, no. 3. https://doi.org/10.1098/rsos.181657

APA

Bowman, C., Chaplain, M., & Matzavinos, A. (2019). Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane. Royal Society Open Science, 6(3). https://doi.org/10.1098/rsos.181657

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Bowman C, Chaplain M, Matzavinos A. Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane. Royal Society Open Science. 2019 Mar 6;6(3). https://doi.org/10.1098/rsos.181657

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Bowman, Clark ; Chaplain, Mark ; Matzavinos, Anastasios. / Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane. In: Royal Society Open Science. 2019 ; Vol. 6, No. 3.

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@article{fb8b1aba5ce7447da8a5a8423c363f46,
title = "Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane",
abstract = "We investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett.117, 257801 (doi:10.1103/PhysRevLett.117.257801)) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending on whether they are larger or smaller than a critical size which scales linearly with film thickness. Using dissipative particle dynamics, a particle-based simulation method, we investigate the same scenario for a lipid bilayer membrane whose structure is determined by lipid–water interactions. We simulate a perforated membrane in which holes larger than a critical radius grow, while holes smaller than the critical radius close, as in the experiment of Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett.117, 257801 (doi:10.1103/PhysRevLett.117.257801)). By altering key system parameters such as the number of particles per lipid and the periodicity, we also describe scenarios in which pores of any initial size can seal or even remain stable, showing a fundamental difference in the behaviour of lipid membranes from polymer films.",
keywords = "Dissipative particle dynamics, Lipid membranes, Computational simulation",
author = "Clark Bowman and Mark Chaplain and Anastasios Matzavinos",
note = "C.B. was partially supported by the NSF through grant no. DMS-1148284. M.C. gratefully acknowledges support of EPSRC grant no. EP/N014642/1 (EPSRC Centre for Multiscale Soft Tissue Mechanics–With Application to Heart & Cancer). A.M. was partially supported by the NSF through grant nos. DMS-1521266 and DMS-1552903.",
year = "2019",
month = "3",
day = "6",
doi = "10.1098/rsos.181657",
language = "English",
volume = "6",
journal = "Royal Society Open Science",
issn = "2054-5703",
publisher = "ROYAL SOC",
number = "3",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Dissipative particle dynamics simulation of critical pore size in a lipid bilayer membrane

AU - Bowman, Clark

AU - Chaplain, Mark

AU - Matzavinos, Anastasios

N1 - C.B. was partially supported by the NSF through grant no. DMS-1148284. M.C. gratefully acknowledges support of EPSRC grant no. EP/N014642/1 (EPSRC Centre for Multiscale Soft Tissue Mechanics–With Application to Heart & Cancer). A.M. was partially supported by the NSF through grant nos. DMS-1521266 and DMS-1552903.

PY - 2019/3/6

Y1 - 2019/3/6

N2 - We investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett.117, 257801 (doi:10.1103/PhysRevLett.117.257801)) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending on whether they are larger or smaller than a critical size which scales linearly with film thickness. Using dissipative particle dynamics, a particle-based simulation method, we investigate the same scenario for a lipid bilayer membrane whose structure is determined by lipid–water interactions. We simulate a perforated membrane in which holes larger than a critical radius grow, while holes smaller than the critical radius close, as in the experiment of Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett.117, 257801 (doi:10.1103/PhysRevLett.117.257801)). By altering key system parameters such as the number of particles per lipid and the periodicity, we also describe scenarios in which pores of any initial size can seal or even remain stable, showing a fundamental difference in the behaviour of lipid membranes from polymer films.

AB - We investigate with computer simulations the critical radius of pores in a lipid bilayer membrane. Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett.117, 257801 (doi:10.1103/PhysRevLett.117.257801)) recently showed that nucleated pores in a homopolymer film can increase or decrease in size, depending on whether they are larger or smaller than a critical size which scales linearly with film thickness. Using dissipative particle dynamics, a particle-based simulation method, we investigate the same scenario for a lipid bilayer membrane whose structure is determined by lipid–water interactions. We simulate a perforated membrane in which holes larger than a critical radius grow, while holes smaller than the critical radius close, as in the experiment of Ilton et al. (Ilton et al. 2016 Phys. Rev. Lett.117, 257801 (doi:10.1103/PhysRevLett.117.257801)). By altering key system parameters such as the number of particles per lipid and the periodicity, we also describe scenarios in which pores of any initial size can seal or even remain stable, showing a fundamental difference in the behaviour of lipid membranes from polymer films.

KW - Dissipative particle dynamics

KW - Lipid membranes

KW - Computational simulation

U2 - 10.1098/rsos.181657

DO - 10.1098/rsos.181657

M3 - Article

VL - 6

JO - Royal Society Open Science

JF - Royal Society Open Science

SN - 2054-5703

IS - 3

ER -

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