Opportunities given by density functional theory in pathological calcifications
Density Functional Theory has made the study of biomaterials feasible in the past years leading to better understanding of causes and possible treatments of related pathologies. Although it has been successfully applied in many fields, it has not yet consistently found its way into the field of path...
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| Format: | Article |
| Language: | English |
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Académie des sciences
2021-06-01
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| Series: | Comptes Rendus. Chimie |
| Subjects: | |
| Online Access: | https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.78/ |
| _version_ | 1797651323842199552 |
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| author | Tielens, Frederik Vekeman, Jelle Bazin, Dominique Daudon, Michel |
| author_facet | Tielens, Frederik Vekeman, Jelle Bazin, Dominique Daudon, Michel |
| author_sort | Tielens, Frederik |
| collection | DOAJ |
| description | Density Functional Theory has made the study of biomaterials feasible in the past years leading to better understanding of causes and possible treatments of related pathologies. Although it has been successfully applied in many fields, it has not yet consistently found its way into the field of pathological calcifications. An overview will be given of the studies where this technique has been applied in order to outline the important contributions that it can bring in the field of biomineralization. More specifically, studies on DFT calcifications from calcium oxalates and calcium phosphates, with relevance to bone formation and kidney stones, will be reviewed. Finally, a short outlook on silica mineralization will be presented as well. |
| first_indexed | 2024-03-11T16:14:21Z |
| format | Article |
| id | doaj.art-9185fda88c0a4b6492ecb5ac282e6558 |
| institution | Directory Open Access Journal |
| issn | 1878-1543 |
| language | English |
| last_indexed | 2024-03-11T16:14:21Z |
| publishDate | 2021-06-01 |
| publisher | Académie des sciences |
| record_format | Article |
| series | Comptes Rendus. Chimie |
| spelling | doaj.art-9185fda88c0a4b6492ecb5ac282e65582023-10-24T14:23:18ZengAcadémie des sciencesComptes Rendus. Chimie1878-15432021-06-0125S120921810.5802/crchim.7810.5802/crchim.78Opportunities given by density functional theory in pathological calcificationsTielens, Frederik0https://orcid.org/0000-0002-6760-6176Vekeman, Jelle1https://orcid.org/0000-0001-6633-9283Bazin, Dominique2https://orcid.org/0000-0002-5112-9061Daudon, Michel3General Chemistry (ALGC) – Materials Modelling Group, Vrije Universiteit Brussel (Free University Brussels-VUB), Pleinlaan 2, 1050 Brussel, BelgiumCenter for Molecular Modeling (CMM), Ghent University, Technologiepark-Zwijnaarde 46, 9052 Zwijnaarde, BelgiumUniversité Paris-Saclay, CNRS, Institut de Chimie Physique, 91405 Orsay cedex, FranceUMR S1155, INSERM/UPMC, 4 Rue de la Chine, 75970 Paris Cedex 20, France; AP-HP, Hôpital Tenon, Explorations fonctionnelles multidisciplinaires, 4 Rue de la Chine, 75970 Paris Cedex 20, FranceDensity Functional Theory has made the study of biomaterials feasible in the past years leading to better understanding of causes and possible treatments of related pathologies. Although it has been successfully applied in many fields, it has not yet consistently found its way into the field of pathological calcifications. An overview will be given of the studies where this technique has been applied in order to outline the important contributions that it can bring in the field of biomineralization. More specifically, studies on DFT calcifications from calcium oxalates and calcium phosphates, with relevance to bone formation and kidney stones, will be reviewed. Finally, a short outlook on silica mineralization will be presented as well.https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.78/OxalatesPhosphatesDFTSpectroscopyMicroscopy |
| spellingShingle | Tielens, Frederik Vekeman, Jelle Bazin, Dominique Daudon, Michel Opportunities given by density functional theory in pathological calcifications Comptes Rendus. Chimie Oxalates Phosphates DFT Spectroscopy Microscopy |
| title | Opportunities given by density functional theory in pathological calcifications |
| title_full | Opportunities given by density functional theory in pathological calcifications |
| title_fullStr | Opportunities given by density functional theory in pathological calcifications |
| title_full_unstemmed | Opportunities given by density functional theory in pathological calcifications |
| title_short | Opportunities given by density functional theory in pathological calcifications |
| title_sort | opportunities given by density functional theory in pathological calcifications |
| topic | Oxalates Phosphates DFT Spectroscopy Microscopy |
| url | https://comptes-rendus.academie-sciences.fr/chimie/articles/10.5802/crchim.78/ |
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