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Steered Molecular Dynamics of Lipid Membrane Indentation by Carbon and Silicon-Carbide Nanotubes-The Impact of Indenting Angle Uncertainty
Univ Silesia Katowice, Fac Sci & Technol, PL-41500 Chorzow, Poland..
Univ Silesia Katowice, Fac Sci & Technol, PL-41500 Chorzow, Poland..
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemistry, Surface and Corrosion Science. Bydgoszcz Univ Sci & Technol, Inst Math & Phys, PL-85796 Bydgoszcz, Poland..
East Carolina Univ, Dept Phys, Greenville, NC 27858 USA..
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2021 (English)In: Sensors, E-ISSN 1424-8220, Vol. 21, no 21, article id 7011Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
MDPI AG , 2021. Vol. 21, no 21, article id 7011
Keywords [en]
nanotubes, steered molecular dynamics, biological membranes, indentation, drug delivery, nanoneedle
National Category
Applied Mechanics Biophysics Physical Chemistry
Identifiers
URN: urn:nbn:se:kth:diva-305635DOI: 10.3390/s21217011ISI: 000721329500001PubMedID: 34770317Scopus ID: 2-s2.0-85117527073OAI: oai:DiVA.org:kth-305635DiVA, id: diva2:1617127
Note

QC 20211206

Available from: 2021-12-06 Created: 2021-12-06 Last updated: 2025-02-20Bibliographically approved

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