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Chemistry in nanoconfined water

Nanoconfined liquids have extremely different properties from the bulk, which profoundly affects chemical reactions taking place in nanosolvation. Here, we present extensive ab initio simulations of a vast set of chemical reactions within a water lamella that is nanoconfined by mineral surfaces, whi...

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Detalles Bibliográficos
Autores principales: Muñoz-Santiburcio, Daniel, Marx, Dominik
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418629/
https://www.ncbi.nlm.nih.gov/pubmed/28507716
http://dx.doi.org/10.1039/c6sc04989c
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author Muñoz-Santiburcio, Daniel
Marx, Dominik
author_facet Muñoz-Santiburcio, Daniel
Marx, Dominik
author_sort Muñoz-Santiburcio, Daniel
collection PubMed
description Nanoconfined liquids have extremely different properties from the bulk, which profoundly affects chemical reactions taking place in nanosolvation. Here, we present extensive ab initio simulations of a vast set of chemical reactions within a water lamella that is nanoconfined by mineral surfaces, which might be relevant to prebiotic peptide formation in aqueous environments. Our results disclose a rich interplay of distinct effects, from steric factors typical of reactions occurring in small spaces to a charge-stabilization effect in nanoconfined water at extreme conditions similar to that observed in bulk water when changing from extreme to ambient conditions. These effects are found to modify significantly not only the energetics but also the mechanisms of reactions happening in nanoconfined water in comparison to the corresponding bulk regime.
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spelling pubmed-54186292017-05-15 Chemistry in nanoconfined water Muñoz-Santiburcio, Daniel Marx, Dominik Chem Sci Chemistry Nanoconfined liquids have extremely different properties from the bulk, which profoundly affects chemical reactions taking place in nanosolvation. Here, we present extensive ab initio simulations of a vast set of chemical reactions within a water lamella that is nanoconfined by mineral surfaces, which might be relevant to prebiotic peptide formation in aqueous environments. Our results disclose a rich interplay of distinct effects, from steric factors typical of reactions occurring in small spaces to a charge-stabilization effect in nanoconfined water at extreme conditions similar to that observed in bulk water when changing from extreme to ambient conditions. These effects are found to modify significantly not only the energetics but also the mechanisms of reactions happening in nanoconfined water in comparison to the corresponding bulk regime. Royal Society of Chemistry 2017-05-01 2017-03-20 /pmc/articles/PMC5418629/ /pubmed/28507716 http://dx.doi.org/10.1039/c6sc04989c Text en This journal is © The Royal Society of Chemistry 2017 http://creativecommons.org/licenses/by/3.0/ This is an Open Access article distributed under the terms of the Creative Commons Attribution 3.0 Unported License (http://creativecommons.org/licenses/by/3.0/) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Chemistry
Muñoz-Santiburcio, Daniel
Marx, Dominik
Chemistry in nanoconfined water
title Chemistry in nanoconfined water
title_full Chemistry in nanoconfined water
title_fullStr Chemistry in nanoconfined water
title_full_unstemmed Chemistry in nanoconfined water
title_short Chemistry in nanoconfined water
title_sort chemistry in nanoconfined water
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5418629/
https://www.ncbi.nlm.nih.gov/pubmed/28507716
http://dx.doi.org/10.1039/c6sc04989c
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