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The Role of Temperature and Lipid Charge on Intake/Uptake of Cationic Gold Nanoparticles into Lipid Bilayers
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SYSNO ASEP 0509524 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title The Role of Temperature and Lipid Charge on Intake/Uptake of Cationic Gold Nanoparticles into Lipid Bilayers Author(s) Lolicato, F. (FI)
Joly, L. (FR)
Martinez-Seara, Hector (UOCHB-X) RID, ORCID
Fragneto, G. (FR)
Scoppola, E. (DE)
Baldelli Bombelli, F. (IT)
Vattulainen, I. (FI)
Akola, J. (FI)
Maccarini, M. (FR)Article number 1805046 Source Title Small. - : Wiley - ISSN 1613-6810
Roč. 15, č. 23 (2019)Number of pages 15 s. Language eng - English Country DE - Germany Keywords gold nanoparticles ; lipid membranes ; molecular dynamics simulations ; nanotoxicity ; neutron reflectometry Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry R&D Projects EF16_019/0000729 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Open access Institutional support UOCHB-X - RVO:61388963 UT WOS 000485484800001 EID SCOPUS 85064688737 DOI 10.1002/smll.201805046 Annotation Understanding the molecular mechanisms governing nanoparticle-membrane interactions is of prime importance for drug delivery and biomedical applications. Neutron reflectometry (NR) experiments are combined with atomistic and coarse-grained molecular dynamics (MD) simulations to study the interaction between cationic gold nanoparticles (AuNPs) and model lipid membranes composed of a mixture of zwitterionic di-stearoyl-phosphatidylcholine (DSPC) and anionic di-stearoyl-phosphatidylglycerol (DSPG). MD simulations show that the interaction between AuNPs and a pure DSPC lipid bilayer is modulated by a free energy barrier. This can be overcome by increasing temperature, which promotes an irreversible AuNP incorporation into the lipid bilayer. NR experiments confirm the encapsulation of the AuNPs within the lipid bilayer at temperatures around 55 degrees C. In contrast, the AuNP adsorption is weak and impaired by heating for a DSPC-DSPG (3:1) lipid bilayer. These results demonstrate that both the lipid charge and the temperature play pivotal roles in AuNP-membrane interactions. Furthermore, NR experiments indicate that the (negative) DSPG lipids are associated with lipid extraction upon AuNP adsorption, which is confirmed by coarse-grained MD simulations as a lipid-crawling effect driving further AuNP aggregation. Overall, the obtained detailed molecular view of the interaction mechanisms sheds light on AuNP incorporation and membrane destabilization. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2020 Electronic address https://onlinelibrary.wiley.com/doi/full/10.1002/smll.201805046
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