| Texto completo | |
| Autor(es): |
Lemos, Emanuel Cleyton Macedo
;
Moriya, Renata Hidemi
;
de Jesus, Luccas Correa Teruel
;
Borges, Roger
;
de Oliveira, Rene Ramos
;
de Lima, Nelson Batista
;
Arantes, Jeverson Teodoro
;
Marchi, Juliana
Número total de Autores: 8
|
| Tipo de documento: | Artigo Científico |
| Fonte: | CERAMICS INTERNATIONAL; v. 51, n. 22, p. 7-pg., 2025-09-01. |
| Resumo | |
Magnesium whitlockite (Mg-WH), the second most abundant inorganic material in hard tissue, is a promising biomaterial and participates in cell signaling through piezoelectric modulation. However, its electric structure is not fully understood. This study investigated the structure and electronic structure of Mg-WH for the first time using ab initio methods. Additionally, Mg-WH was synthesized through the coprecipitation method and characterized by scanning electron microscopy (SEM-FEG), X-ray diffraction (XRD), and Fourier-transform infrared (FTIR) spectroscopy. The experimental results of XRD were compared with those obtained by computational simulation, and good agreement was shown. The Ca1 site of Mg-WH showed a higher distance between magnesium and other coordinated oxygens, making it more likely to accommodate atomic substitution in Mg-WH doping concerning elements with ionic radii bigger than Mg2+. Besides, the theoretical model confirmed the presence of a hydrogen bond due to the presence of the HPO42-group at the Ca4 site, which was further confirmed by the experimental FTIR spectrum. This hydrogen bond and Mg2+ in Mg-WH may play an essential role in physiological environments. (AU) | |
| Processo FAPESP: | 20/00329-6 - Desenvolvimento de compósito multifuncional injetável para tratamento de câncer ósseo por hipertermia e braquiterapia associado à reparação óssea |
| Beneficiário: | Juliana Marchi |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |
| Processo FAPESP: | 24/11219-8 - Desenvolvimento de tubos condutores a base de quitosana e vidro bioativo para aplicação em regeneração de nervos periféricos |
| Beneficiário: | Juliana Marchi |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |