Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty

Due to the semi-liquid nature and uneven morphologies of biological membranes, indentation may occur in a range of non-ideal conditions. These conditions are relatively unstudied and may alter the physical characteristics of the process. One of the basic challenges in the construction of nanoindente...

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Autores principales:	Przemysław Raczyński, Krzysztof Górny, Piotr Bełdowski, Steven Yuvan, Beata Marciniak, Zbigniew Dendzik
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	nanotubes steered molecular dynamics biological membranes indentation drug delivery nanoneedle Chemical technology TP1-1185
Acceso en línea:	https://doaj.org/article/b36022c2848a49a1b024678c4ffe6b66
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spelling	oai:doaj.org-article:b36022c2848a49a1b024678c4ffe6b662021-11-11T19:02:58ZSteered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty10.3390/s212170111424-8220https://doaj.org/article/b36022c2848a49a1b024678c4ffe6b662021-10-01T00:00:00Zhttps://www.mdpi.com/1424-8220/21/21/7011https://doaj.org/toc/1424-8220Due to the semi-liquid nature and uneven morphologies of biological membranes, indentation may occur in a range of non-ideal conditions. These conditions are relatively unstudied and may alter the physical characteristics of the process. One of the basic challenges in the construction of nanoindenters is to appropriately align the nanotube tip and approach the membrane at a perpendicular angle. To investigate the impact of deviations from this ideal, we performed non-equilibrium steered molecular dynamics simulations of the indentation of phospholipid membranes by homogeneous CNT and non-homogeneous SiCNT indenters. We used various angles, rates, and modes of indentation, and the withdrawal of the relative indenter out of the membrane in corresponding conditions was simulated.Przemysław RaczyńskiKrzysztof GórnyPiotr BełdowskiSteven YuvanBeata MarciniakZbigniew DendzikMDPI AGarticlenanotubessteered molecular dynamicsbiological membranesindentationdrug deliverynanoneedleChemical technologyTP1-1185ENSensors, Vol 21, Iss 7011, p 7011 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	nanotubes steered molecular dynamics biological membranes indentation drug delivery nanoneedle Chemical technology TP1-1185
spellingShingle	nanotubes steered molecular dynamics biological membranes indentation drug delivery nanoneedle Chemical technology TP1-1185 Przemysław Raczyński Krzysztof Górny Piotr Bełdowski Steven Yuvan Beata Marciniak Zbigniew Dendzik Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty
description	Due to the semi-liquid nature and uneven morphologies of biological membranes, indentation may occur in a range of non-ideal conditions. These conditions are relatively unstudied and may alter the physical characteristics of the process. One of the basic challenges in the construction of nanoindenters is to appropriately align the nanotube tip and approach the membrane at a perpendicular angle. To investigate the impact of deviations from this ideal, we performed non-equilibrium steered molecular dynamics simulations of the indentation of phospholipid membranes by homogeneous CNT and non-homogeneous SiCNT indenters. We used various angles, rates, and modes of indentation, and the withdrawal of the relative indenter out of the membrane in corresponding conditions was simulated.
format	article
author	Przemysław Raczyński Krzysztof Górny Piotr Bełdowski Steven Yuvan Beata Marciniak Zbigniew Dendzik
author_facet	Przemysław Raczyński Krzysztof Górny Piotr Bełdowski Steven Yuvan Beata Marciniak Zbigniew Dendzik
author_sort	Przemysław Raczyński
title	Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty
title_short	Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty
title_full	Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty
title_fullStr	Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty
title_full_unstemmed	Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty
title_sort	steered molecular dynamics of lipid membrane indentation by carbon and silicon-carbide nanotubes—the impact of indenting angle uncertainty
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/b36022c2848a49a1b024678c4ffe6b66
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Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes—The Impact of Indenting Angle Uncertainty

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