Syracuse

Opportunities given by density functional theory in pathological calcifications

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Tielens, Frederik | Vekeman, Jelle | Bazin, Dominique | Daudon, Michel

Edité par CCSD ; Académie des sciences (Paris) -

International audience. Density Functional Theory has made the study of biomaterials feasible in the past yearsleading to better understanding of causes and possible treatments of related pathologies. Althoughit has been successfully applied in many fields, it has not yet consistently found its way into thefield of pathological calcifications. An overview will be given of the studies where this techniquehas been applied in order to outline the important contributions that it can bring in the field ofbiomineralization.More specifically, studies on DFT calcifications from calciumoxalates and calciumphosphates, with relevance to bone formation and kidney stones, will be reviewed. Finally, a shortoutlook on silica mineralization will be presented as well.

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