To access the full text documents, please follow this link: http://hdl.handle.net/2117/27195

Synergistic approach to elucidate the incorporation of magnesium ions into hydroxyapatite
Bertran Cànovas, Òscar; Valle Mendoza, Luis Javier del; Revilla López, Guillermo; Rivas Cañas, Manuel; Chaves Barboza, Gustavo Adolfo; Casas Becerra, María Teresa; Casanovas Salas, Jordi; Turon Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos
Universitat Politècnica de Catalunya. Departament de Física Aplicada; Universitat Politècnica de Catalunya. Departament d'Enginyeria Química; Universitat Politècnica de Catalunya. IMEM - Innovació, Modelització i Enginyeria en (BIO) Materials; Universitat Politècnica de Catalunya. PSEP - Polimers Sintètics: Estructura i Propietats. Polimers Biodegradables.
Although the content of Mg2+ in hard tissues is very low (typically 1.5wt%), its incorporation into synthetic hydroxyapatite (HAp) particles and its role in the mineral's properties are still subject of intensive debate. A combined experimental-computational approach is used to answer many of the open questions. Mg2+-enriched HAp particles are prepared using different synthetic approaches and considering different concentrations of Mg2+ in the reaction medium. The composition, morphology and structure of the resulting particles are investigated using X-ray photoelectron spectroscopy, energy dispersive X-ray spectroscopy, scanning and transmission electron microscopies, FTIR, and wide-angle X-ray diffraction. After this scrutiny, the role of the Mg2+ in the first nucleation stages, before HAp formation, is investigated using atomistic molecular dynamics simulations. Saturated solutions are simulated with and without the presence of DNA, which has been recently used as a soft template in the biomineralization process. This synergistic investigation provides a complete picture of how Mg2+ ions affect the mineralization from the first stages onwards
Àrees temàtiques de la UPC::Física
Àrees temàtiques de la UPC::Enginyeria química
Molecular dynamics
Nucleation
Calcium phosphate
DNA
hydroxyapatite
magnesium
mineral nucleation
molecular dynamics
SUBSTITUTED HYDROXYAPATITE
MOLECULAR-DYNAMICS
CALCIUM-PHOSPHATE
FORCE-FIELD
B-DNA
X-RAY
NANOPARTICLES
CRYSTALLIZATION
CARBONATE
MINERALIZATION
Dinàmica molecular
Nucleació
info:eu-repo/semantics/publishedVersion
Article
         

Show full item record

Related documents

Other documents of the same author

Valle Mendoza, Luis Javier del; Bertran Cànovas, Òscar; Chaves Barboza, Gustavo Adolfo; Revilla López, Guillermo; Rivas Cañas, Manuel; Casanovas Muñoz, Jordi; Turon Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos; Casas, Maria Teresa
Rivas Cañas, Manuel; Casanovas Salas, Jordi; Valle Mendoza, Luis Javier del; Bertran Cànovas, Òscar; Revilla López, Guillermo; Turon Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos
Bertran Cànovas, Òscar; Valle Mendoza, Luis Javier del; Revilla López, Guillermo; Chaves Barboza, Gustavo Adolfo; Cardús Andreu, Lluís; Casas Becerra, María Teresa; Casanovas Salas, Jordi; Turon, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos
Bertran Cànovas, Òscar; Revilla López, Guillermo; Casanovas Salas, Jordi; Valle Mendoza, Luis Javier del; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos
Revilla López, Guillermo; Bertran Cànovas, Òscar; Casanovas Salas, Jordi; Turón Dols, Pau; Puiggalí Bellalta, Jordi; Alemán Llansó, Carlos
 

Coordination

 

Supporters