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What is the mechanism of formation of hydroxyaluminosilicates?

The formation of hydroxyaluminosilicates is integral to the biogeochemical cycles of aluminium and silicon. The unique inorganic chemistry which underlies their formation explains the non-essentiality in biota of both of these elements. However, the first steps in the formation of hydroxyaluminosili...

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Autores principales: Beardmore, James, Lopez, Xabier, Mujika, Jon I., Exley, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4967899/
https://www.ncbi.nlm.nih.gov/pubmed/27477995
http://dx.doi.org/10.1038/srep30913
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author Beardmore, James
Lopez, Xabier
Mujika, Jon I.
Exley, Christopher
author_facet Beardmore, James
Lopez, Xabier
Mujika, Jon I.
Exley, Christopher
author_sort Beardmore, James
collection PubMed
description The formation of hydroxyaluminosilicates is integral to the biogeochemical cycles of aluminium and silicon. The unique inorganic chemistry which underlies their formation explains the non-essentiality in biota of both of these elements. However, the first steps in the formation of hydroxyaluminosilicates were hitherto only theoretical and plausibly only accessible in silico. Herein we have used computational chemistry to identify and define for the first time these unique and ultimately critically important reaction steps. We have used density-functional theory combined with solvent continuum models to confirm first, the nature of the reactants, an aluminium hydroxide dimer and silicic acid, second, the reaction products, two distinct hydroxyaluminosilicates A and B and finally, how these are the precursors to highly insoluble hydroxyaluminosilicates the role of which has been and continues to be to keep inimical aluminium out of biota.
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spelling pubmed-49678992016-08-10 What is the mechanism of formation of hydroxyaluminosilicates? Beardmore, James Lopez, Xabier Mujika, Jon I. Exley, Christopher Sci Rep Article The formation of hydroxyaluminosilicates is integral to the biogeochemical cycles of aluminium and silicon. The unique inorganic chemistry which underlies their formation explains the non-essentiality in biota of both of these elements. However, the first steps in the formation of hydroxyaluminosilicates were hitherto only theoretical and plausibly only accessible in silico. Herein we have used computational chemistry to identify and define for the first time these unique and ultimately critically important reaction steps. We have used density-functional theory combined with solvent continuum models to confirm first, the nature of the reactants, an aluminium hydroxide dimer and silicic acid, second, the reaction products, two distinct hydroxyaluminosilicates A and B and finally, how these are the precursors to highly insoluble hydroxyaluminosilicates the role of which has been and continues to be to keep inimical aluminium out of biota. Nature Publishing Group 2016-08-01 /pmc/articles/PMC4967899/ /pubmed/27477995 http://dx.doi.org/10.1038/srep30913 Text en Copyright © 2016, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Beardmore, James
Lopez, Xabier
Mujika, Jon I.
Exley, Christopher
What is the mechanism of formation of hydroxyaluminosilicates?
title What is the mechanism of formation of hydroxyaluminosilicates?
title_full What is the mechanism of formation of hydroxyaluminosilicates?
title_fullStr What is the mechanism of formation of hydroxyaluminosilicates?
title_full_unstemmed What is the mechanism of formation of hydroxyaluminosilicates?
title_short What is the mechanism of formation of hydroxyaluminosilicates?
title_sort what is the mechanism of formation of hydroxyaluminosilicates?
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4967899/
https://www.ncbi.nlm.nih.gov/pubmed/27477995
http://dx.doi.org/10.1038/srep30913
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