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Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study

Nanoparticles (NPs) show promising applications in biomedicine, catalysis, and energy harvesting. This applicability relies on controlling the material’s features at the nanometer scale. Surfactants, a unique class of surface-active molecules, have a remarkable ability to tune NPs activity; provide...

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Autores principales: Suárez-López, Rosa, Puntes, Víctor F., Bastús, Neus G., Hervés, Carmen, Jaime, Carlos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9385746/
https://www.ncbi.nlm.nih.gov/pubmed/35977997
http://dx.doi.org/10.1038/s41598-022-18155-2
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author Suárez-López, Rosa
Puntes, Víctor F.
Bastús, Neus G.
Hervés, Carmen
Jaime, Carlos
author_facet Suárez-López, Rosa
Puntes, Víctor F.
Bastús, Neus G.
Hervés, Carmen
Jaime, Carlos
author_sort Suárez-López, Rosa
collection PubMed
description Nanoparticles (NPs) show promising applications in biomedicine, catalysis, and energy harvesting. This applicability relies on controlling the material’s features at the nanometer scale. Surfactants, a unique class of surface-active molecules, have a remarkable ability to tune NPs activity; provide specific functions, avoid their aggregation, and create stable colloidal solutions. Surfactants also control nanoparticles’ nucleation and growth processes by modifying nuclei solubility and surface energy. While nucleation seems independent from the surfactant, NP’s growth depends on it. NP`s size is influenced by the type of functional group (C, O, S or N), length of its C chain and NP to surfactant ratio. In this paper, gold nanoparticles (Au NPs) are taken as model systems to study how nucleation and growth processes are affected by the choice of surfactants by Dissipative Particle Dynamics (DPD) simulations. DPD has been mainly used for studying biochemical structures, like lipid bilayer models. However, the study of solid NPs, and their conjugates, needs the introduction of a new metallic component. To represent the collective phenomena of these large systems, their degrees of freedom are reduced by Coarse-Grained (CG) models. DPD behaved as a powerful tool for studying complex systems and shedding some light on some experimental observations, otherwise difficult to explain.
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spelling pubmed-93857462022-08-19 Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study Suárez-López, Rosa Puntes, Víctor F. Bastús, Neus G. Hervés, Carmen Jaime, Carlos Sci Rep Article Nanoparticles (NPs) show promising applications in biomedicine, catalysis, and energy harvesting. This applicability relies on controlling the material’s features at the nanometer scale. Surfactants, a unique class of surface-active molecules, have a remarkable ability to tune NPs activity; provide specific functions, avoid their aggregation, and create stable colloidal solutions. Surfactants also control nanoparticles’ nucleation and growth processes by modifying nuclei solubility and surface energy. While nucleation seems independent from the surfactant, NP’s growth depends on it. NP`s size is influenced by the type of functional group (C, O, S or N), length of its C chain and NP to surfactant ratio. In this paper, gold nanoparticles (Au NPs) are taken as model systems to study how nucleation and growth processes are affected by the choice of surfactants by Dissipative Particle Dynamics (DPD) simulations. DPD has been mainly used for studying biochemical structures, like lipid bilayer models. However, the study of solid NPs, and their conjugates, needs the introduction of a new metallic component. To represent the collective phenomena of these large systems, their degrees of freedom are reduced by Coarse-Grained (CG) models. DPD behaved as a powerful tool for studying complex systems and shedding some light on some experimental observations, otherwise difficult to explain. Nature Publishing Group UK 2022-08-17 /pmc/articles/PMC9385746/ /pubmed/35977997 http://dx.doi.org/10.1038/s41598-022-18155-2 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Suárez-López, Rosa
Puntes, Víctor F.
Bastús, Neus G.
Hervés, Carmen
Jaime, Carlos
Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study
title Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study
title_full Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study
title_fullStr Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study
title_full_unstemmed Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study
title_short Nucleation and growth of gold nanoparticles in the presence of different surfactants. A dissipative particle dynamics study
title_sort nucleation and growth of gold nanoparticles in the presence of different surfactants. a dissipative particle dynamics study
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9385746/
https://www.ncbi.nlm.nih.gov/pubmed/35977997
http://dx.doi.org/10.1038/s41598-022-18155-2
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