title: Qualitative and quantitative structure-property relationships analysis of multicomponent potential bioglasses.
abstract: The results of a qualitative and quantitative structure-property relationships analysis of multicomponent potential bioglasses of composition (2 - y) SiO2 x 1 Na2O x 1.1 CaO x y P2O5 x x ZnO (x = 0, 0.16, 0.35, 0.78 and y = 0.10, 0.20, 0.36) are presented. Quantitative models are obtained by means of structural descriptors derived by molecular dynamics simulations and experimental data measured for density, thermal analysis, 29Si and 31P magic angle spinning NMR, and chemical durability in water. Analysis of the crystal species obtained upon glass crystallization helped in the rationalization of the structural role of the different components. Finally, glass surface characterization with scanning electron microscopy, transmission electron microscopy, and X-ray diffraction after soaking in acellular simulated body fluid demonstrated the in vitro bioactivity of the newly obtained 1.80 SiO2 x 1 Na2O x 1.1 Ca x 0.20 P2O5 x 0.16 ZnO (HP5Z5) glass, corresponding to x = 0.16 and y = 0.20.
authors.affiliation: Centro Grandi Strumenti, University of Pavia, Via Bassi 21, 27100 Pavia, Italy.
authors.forename: Laura
authors.initials: L
authors.lastname: Linati
authors.forename: Gigliola
authors.initials: G
authors.lastname: Lusvardi
authors.forename: Gianluca
authors.initials: G
authors.lastname: Malavasi
authors.forename: Ledi
authors.initials: L
authors.lastname: Menabue
authors.forename: M Cristina
authors.initials: MC
authors.lastname: Menziani
authors.forename: Piercarlo
authors.initials: P
authors.lastname: Mustarelli
authors.forename: Ulderico
authors.initials: U
authors.lastname: Segre
mesh_terms: D005898:Glass; D008855:Microscopy, Electron, Scanning; D046529:Microscopy, Electron, Transmission; D021281:Quantitative Structure-Activity Relationship; D014961:X-Ray Diffraction