RT Journal Article T1 Proton Environments in Biomimetic Calcium PhosphatesFormed from Mesoporous Bioactive CaO-SiO2-P2O5 Glasses in vitro: Insights from Solid-State NMR A1 Mathew, Renny A1 Turdean-Ionescu, Claudia A1 Yu, Yang A1 Stevensson, Baltzar A1 Izquierdo Barba, Isabel A1 García Fontecha, Ana A1 Arcos Navarrete, Daniel A1 Vallet Regí, María Dulce Nombre A1 Eden, Mattias AB When exposed to body fluids, mesoporous bioactive glasses (MBGs) of the CaO{SiO2{P2O5 system develop a bone-bonding surface layer that initially consists of amorphous calcium phosphate(ACP), which transforms into hydroxy-carbonate apatite (HCA) with a very similar composition as bone/dentin mineral. Information from various 1H-based solid-state nuclear magnetic resonance (NMR) experiments were combined to elucidate the evolution of the proton speciations both at the MBG surface and within each ACP/HCA constituent of the biomimetic phosphate layer formed when each of three MBGs with distinct Ca, Si, and P contents was immersed in a simulated body fluid (SBF) for variable periods between 15 min and 30 days. Directly excited magic-angle-spinning (MAS) 1H NMR spectra mainly reflect the MBG component, whose surface is rich in water and silanol (SiOH) moieties. Double-quantum{single-quantum correlation 1H NMR experimentation at fast MAS revealed their interatomic proximities. The comparatively minor H species of each ACP and HCA component were probed selectively by heteronuclear 1H{31P NMR experimentation. The initially prevailing ACP phase comprises H2O and "non-apatitic" HPO2. PB American Chemical Society SN 1932-7447 YR 2017 FD 2017-05-23 LK https://hdl.handle.net/20.500.14352/17845 UL https://hdl.handle.net/20.500.14352/17845 LA eng NO Unión Europea. FP7 NO Ministerio de Economía y Competitividad (MINECO) NO Swedish Research Council NO Agencia Estatal de Investigación (AEI) NO Fondo Europeo de Desarrollo Regional (FEDER) DS Docta Complutense RD 22 jul 2024