Insights into the effect of combustion-generated carbon nanoparticles on biological membranes: a computer simulation study

The Journal of Physical Chemistry. B
Rakwoo Chang, Angela Violi

Abstract

Classical molecular dynamics simulations of atomistic models of combustion-generated carbon nanoparticles and lipid bilayers have been performed to explore their possible structural, dynamical, and thermodynamic effects on biological membranes. The DREIDING generic force field is used for the carbonaceous nanoparticles of different morphologies, as produced from combustion sources, and the united atom model was employed for the dimyristoylphosphatidylcholine (DMPC) bilayer. It is observed that particle shape and structure have significant effects on solvation, mobility, adsorption, and permeation behavior of the particles. While combustion-generated carbon nanoparticles with an aspect ratio close to unity prefer to stay near the membrane center, precursors with other shapes mostly reside within the hydrocarbon tail region of the membrane. Carbon nanoparticles are not trapped in a local region even inside the membranes but move freely with a speed depending on their molecular weight. The adsorption of the particles on the surface of the biological membrane is comparable to thermal fluctuations because the weak segregation effect by water molecules is the main driving force to the adsorption behavior. The bigger the precursors ar...Continue Reading

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Citations

Mar 2, 2011·Journal of Materials Science. Materials in Medicine·E Borowiak-PalenJ Mielcarek
Jul 31, 2012·ACS Applied Materials & Interfaces·Yi ZhangBing Yan
Jul 16, 2008·The Journal of Physical Chemistry. B·Christopher V KellyIoan Andricioaei
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Jun 22, 2019·Journal of Cellular Physiology·Ling-Hong HuangBao-Song Gui
Mar 7, 2020·Physical Chemistry Chemical Physics : PCCP·Shakkira Erimban, Snehasis Daschakraborty
Mar 22, 2014·Physical Chemistry Chemical Physics : PCCP·Jason Y W LaiAngela Violi
Jun 3, 2014·The Journal of Physical Chemistry. B·Yongbin KimRakwoo Chang
Aug 14, 2019·ACS Nano·Changjiang LiuAngela Violi
Feb 24, 2007·Nano Letters·Rui QiaoPu Chun Ke
Feb 15, 2007·Nano Letters·Tighe A Spurlin, Andrew A Gewirth

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