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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Royal Society of Chemistry
2017
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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. |
format | Online Article Text |
id | pubmed-5418629 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
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
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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 |
work_keys_str_mv | AT munozsantiburciodaniel chemistryinnanoconfinedwater AT marxdominik chemistryinnanoconfinedwater |