Biogenic Hydroxyapatite Obtained from Bone Wastes Using CO(2)-Assisted Pyrolysis and Its Interaction with Glyphosate: A Computational and Experimental Study

[Image: see text] In this work, biogenic hydroxyapatite (BHap) obtained from cattle bone waste is proposed as an adsorbent of this dangerous pollutant. Density functional theory (DFT) and calorimetric studies were developed to study the interaction between BHap and glyphosate (GLY). A strong interac...

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Autores principales: Hernández-Barreto, Diego F., Hernández-Cocoletzi, Heriberto, Moreno-Piraján, Juan Carlos
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9280975/
https://www.ncbi.nlm.nih.gov/pubmed/35847317
http://dx.doi.org/10.1021/acsomega.2c01379
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author Hernández-Barreto, Diego F.
Hernández-Cocoletzi, Heriberto
Moreno-Piraján, Juan Carlos
author_facet Hernández-Barreto, Diego F.
Hernández-Cocoletzi, Heriberto
Moreno-Piraján, Juan Carlos
author_sort Hernández-Barreto, Diego F.
collection PubMed
description [Image: see text] In this work, biogenic hydroxyapatite (BHap) obtained from cattle bone waste is proposed as an adsorbent of this dangerous pollutant. Density functional theory (DFT) and calorimetric studies were developed to study the interaction between BHap and glyphosate (GLY). A strong interaction was found in the experiments through the measurement of immersion enthalpy, confirmed by the exothermic chemisorption obtained with DFT calculations. These results suggest that hydroxyapatite is a promising adsorbent material for GLY adsorption in aqueous solutions. In addition, it was determined that the GLY–hydroxyapatite interaction is greater than the water–hydroxyapatite interaction, which favors the GLY adsorption into this material.
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spelling pubmed-92809752022-07-15 Biogenic Hydroxyapatite Obtained from Bone Wastes Using CO(2)-Assisted Pyrolysis and Its Interaction with Glyphosate: A Computational and Experimental Study Hernández-Barreto, Diego F. Hernández-Cocoletzi, Heriberto Moreno-Piraján, Juan Carlos ACS Omega [Image: see text] In this work, biogenic hydroxyapatite (BHap) obtained from cattle bone waste is proposed as an adsorbent of this dangerous pollutant. Density functional theory (DFT) and calorimetric studies were developed to study the interaction between BHap and glyphosate (GLY). A strong interaction was found in the experiments through the measurement of immersion enthalpy, confirmed by the exothermic chemisorption obtained with DFT calculations. These results suggest that hydroxyapatite is a promising adsorbent material for GLY adsorption in aqueous solutions. In addition, it was determined that the GLY–hydroxyapatite interaction is greater than the water–hydroxyapatite interaction, which favors the GLY adsorption into this material. American Chemical Society 2022-06-30 /pmc/articles/PMC9280975/ /pubmed/35847317 http://dx.doi.org/10.1021/acsomega.2c01379 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
spellingShingle Hernández-Barreto, Diego F.
Hernández-Cocoletzi, Heriberto
Moreno-Piraján, Juan Carlos
Biogenic Hydroxyapatite Obtained from Bone Wastes Using CO(2)-Assisted Pyrolysis and Its Interaction with Glyphosate: A Computational and Experimental Study
title Biogenic Hydroxyapatite Obtained from Bone Wastes Using CO(2)-Assisted Pyrolysis and Its Interaction with Glyphosate: A Computational and Experimental Study
title_full Biogenic Hydroxyapatite Obtained from Bone Wastes Using CO(2)-Assisted Pyrolysis and Its Interaction with Glyphosate: A Computational and Experimental Study
title_fullStr Biogenic Hydroxyapatite Obtained from Bone Wastes Using CO(2)-Assisted Pyrolysis and Its Interaction with Glyphosate: A Computational and Experimental Study
title_full_unstemmed Biogenic Hydroxyapatite Obtained from Bone Wastes Using CO(2)-Assisted Pyrolysis and Its Interaction with Glyphosate: A Computational and Experimental Study
title_short Biogenic Hydroxyapatite Obtained from Bone Wastes Using CO(2)-Assisted Pyrolysis and Its Interaction with Glyphosate: A Computational and Experimental Study
title_sort biogenic hydroxyapatite obtained from bone wastes using co(2)-assisted pyrolysis and its interaction with glyphosate: a computational and experimental study
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9280975/
https://www.ncbi.nlm.nih.gov/pubmed/35847317
http://dx.doi.org/10.1021/acsomega.2c01379
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