Hydroxyapatite as a key biomaterial: Quantum-mechanical simulation of its surfaces in interaction with biomolecules

Marta Corno, Albert Rimola, Vera Bolis, Piero Ugliengo

Risultato della ricerca: Contributo su rivistaArticolo in rivistapeer review

Abstract

Hydroxyapatite is the mineral component of human bones and teeth enamel and is used as synthetic biomaterial. It also grows outside bioglasses as a response of their incorporation in body fluids. The focus is then on understanding the microscopic steps occurring at its surfaces as this allows researchers to understand the key features of biomolecular adhesion. This perspective article deals with in silico simulations of these processes by quantum-mechanical methods based on density functional theory using the hybrid B3LYP functional and Gaussian basis functions.

Lingua originaleInglese
pagine (da-a)6309-6329
Numero di pagine21
RivistaPhysical Chemistry Chemical Physics
Volume12
Numero di pubblicazione24
DOI
Stato di pubblicazionePubblicato - 2010
Pubblicato esternamente

Fingerprint

Entra nei temi di ricerca di 'Hydroxyapatite as a key biomaterial: Quantum-mechanical simulation of its surfaces in interaction with biomolecules'. Insieme formano una fingerprint unica.

Cita questo