Formation of aggregates, icosahedral structures and percolation clusters of fullerenes in lipids bilayers: The key role of lipid saturation
| Autor: | Mikko Karttunen, Nililla Nisoh, Jirasak Wong-ekkabut, Viwan Jarerattanachat |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
Fullerene
Protein Conformation Icosahedral symmetry Carbon Nanoparticles Lipid Bilayers Biophysics 02 engineering and technology Molecular Dynamics Simulation 010402 general chemistry 01 natural sciences Biochemistry Quantitative Biology::Subcellular Processes Protein Aggregates Molecular dynamics Physics::Atomic and Molecular Clusters Saturation level Lipid bilayer Quantitative Biology::Biomolecules Physics::Biological Physics Chemistry Bilayer Cell Biology 021001 nanoscience & nanotechnology 0104 chemical sciences Condensed Matter::Soft Condensed Matter Chemical physics Phosphatidylcholines lipids (amino acids peptides and proteins) Fullerenes 0210 nano-technology Saturation (chemistry) |
| Zdroj: | Biochimica et Biophysica Acta (BBA) - Biomembranes. 1862:183328 |
| ISSN: | 0005-2736 |
| DOI: | 10.1016/j.bbamem.2020.183328 |
| Popis: | Carbon nanoparticles (CNPs) are attractive materials for a great number of applications but there are serious concerns regarding their influence on health and environment. Here, our focus is on the behavior of fullerenes in lipid bilayers with varying lipid saturations, chain lengths and fullerene concentrations using coarse-grained molecular dynamics (CG-MD) simulations. Our findings show that the lipid saturation level is a key factor in determining how fullerenes behave and where the fullerenes are located inside a lipid bilayer. In saturated and monounsaturated bilayers fullerenes aggregated and formed clusters with some of them showing icosahedral structures. In polyunsaturated lipid bilayers, no such structures were observed: In polyunsaturated lipid bilayers at high fullerene concentrations, connected percolation-like networks of fullerenes spanning the whole lateral area emerged at the bilayer center. In other systems only separate isolated aggregates were observed. The effects of fullerenes on lipid bilayers depend strongly on fullerene aggregation. When fullerenes aggregate, their interactions with the lipid tails change. |
| Databáze: | OpenAIRE |
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