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Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition

The self-assembly of a monolayer of ligands on the surface of noble-metal nanoparticles dictates the fundamental nanoparticle's behavior and its functionality. In this combined computational-experimental study, we analyze the structure, organization, and dynamics of functionalized coating thiol...

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Detalles Bibliográficos
Autores principales: Riccardi, Laura, Gabrielli, Luca, Sun, Xiaohuan, De Biasi, Federico, Rastrelli, Federico, Mancin, Fabrizio, De Vivo, Marco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5521955/
https://www.ncbi.nlm.nih.gov/pubmed/28770257
http://dx.doi.org/10.1016/j.chempr.2017.05.016
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author Riccardi, Laura
Gabrielli, Luca
Sun, Xiaohuan
De Biasi, Federico
Rastrelli, Federico
Mancin, Fabrizio
De Vivo, Marco
author_facet Riccardi, Laura
Gabrielli, Luca
Sun, Xiaohuan
De Biasi, Federico
Rastrelli, Federico
Mancin, Fabrizio
De Vivo, Marco
author_sort Riccardi, Laura
collection PubMed
description The self-assembly of a monolayer of ligands on the surface of noble-metal nanoparticles dictates the fundamental nanoparticle's behavior and its functionality. In this combined computational-experimental study, we analyze the structure, organization, and dynamics of functionalized coating thiols in monolayer-protected gold nanoparticles (AuNPs). We explain how functionalized coating thiols self-organize through a delicate and somehow counterintuitive balance of interactions within the monolayer itself and with the solvent. We further describe how the nature and plasticity of these interactions modulate nanoparticle-based chemosensing. Importantly, we found that self-organization of coating thiols can induce the formation of binding pockets in AuNPs. These transient cavities can accommodate small molecules, mimicking protein-ligand recognition, which could explain the selectivity and sensitivity observed for different organic analytes in NMR chemosensing experiments. Thus, our findings advocate for the rational design of tailored coating groups to form specific recognition binding sites on monolayer-protected AuNPs.
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spelling pubmed-55219552017-07-31 Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition Riccardi, Laura Gabrielli, Luca Sun, Xiaohuan De Biasi, Federico Rastrelli, Federico Mancin, Fabrizio De Vivo, Marco Chem Article The self-assembly of a monolayer of ligands on the surface of noble-metal nanoparticles dictates the fundamental nanoparticle's behavior and its functionality. In this combined computational-experimental study, we analyze the structure, organization, and dynamics of functionalized coating thiols in monolayer-protected gold nanoparticles (AuNPs). We explain how functionalized coating thiols self-organize through a delicate and somehow counterintuitive balance of interactions within the monolayer itself and with the solvent. We further describe how the nature and plasticity of these interactions modulate nanoparticle-based chemosensing. Importantly, we found that self-organization of coating thiols can induce the formation of binding pockets in AuNPs. These transient cavities can accommodate small molecules, mimicking protein-ligand recognition, which could explain the selectivity and sensitivity observed for different organic analytes in NMR chemosensing experiments. Thus, our findings advocate for the rational design of tailored coating groups to form specific recognition binding sites on monolayer-protected AuNPs. Elsevier 2017-07-13 /pmc/articles/PMC5521955/ /pubmed/28770257 http://dx.doi.org/10.1016/j.chempr.2017.05.016 Text en © 2017 The Author(s) http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Article
Riccardi, Laura
Gabrielli, Luca
Sun, Xiaohuan
De Biasi, Federico
Rastrelli, Federico
Mancin, Fabrizio
De Vivo, Marco
Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition
title Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition
title_full Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition
title_fullStr Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition
title_full_unstemmed Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition
title_short Nanoparticle-Based Receptors Mimic Protein-Ligand Recognition
title_sort nanoparticle-based receptors mimic protein-ligand recognition
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5521955/
https://www.ncbi.nlm.nih.gov/pubmed/28770257
http://dx.doi.org/10.1016/j.chempr.2017.05.016
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