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Information from various 1H-based solid-state nuclear magnetic resonance (NMR) experiments was 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\u2013single-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\u201331P NMR experimentation. The initially prevailing ACP phase comprises H2O and \u201cnonapatitic\u201d HPO42\u2013\/PO43\u2013 groups, whereas for prolonged MBG soaking over days, a well-progressed ACP \u2192 HCA transformation was evidenced by a dominating O1H resonance from HCA. We show that 1H-detected 1H \u2192 31P cross-polarization NMR is markedly more sensitive than utilizing powder X-ray diffraction or 31P NMR for detecting the onset of HCA formation, notably so for P-bearing (M)BGs. In relation to the long-standing controversy as to whether bone mineral comprises ACP and\/or forms via an ACP precursor, we discuss a recently accepted structural core\u2013shell picture of both synthetic and biological HCA, highlighting the close relationship between the disordered surface layer and ACP.<\/jats:p>","DOI":"10.1021\/acs.jpcc.7b03469","type":"journal-article","created":{"date-parts":[[2017,5,23]],"date-time":"2017-05-23T23:32:43Z","timestamp":1495582363000},"page":"13223-13238","source":"Crossref","is-referenced-by-count":46,"title":["Proton Environments in Biomimetic Calcium Phosphates\nFormed from Mesoporous Bioactive CaO\u2013SiO2\u2013P2O5 Glasses\n                    <i>in Vitro<\/i>\n                    : Insights\nfrom Solid-State NMR"],"prefix":"10.1021","volume":"121","author":[{"given":"Renny","family":"Mathew","sequence":"first","affiliation":[{"name":"Stockholm University , , ,","place":["Stockholm, Sweden, SE-106 91"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Claudia","family":"Turdean-Ionescu","sequence":"additional","affiliation":[{"name":"Stockholm University , , ,","place":["Stockholm, Sweden, SE-106 91"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yang","family":"Yu","sequence":"additional","affiliation":[{"name":"Stockholm University , , ,","place":["Stockholm, Sweden, SE-106 91"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7109-5068","authenticated-orcid":true,"given":"Baltzar","family":"Stevensson","sequence":"additional","affiliation":[{"name":"Stockholm University , , ,","place":["Stockholm, Sweden, SE-106 91"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Isabel","family":"Izquierdo-Barba","sequence":"additional","affiliation":[{"name":"Universidad Complutense de Madrid , , Instituto de Investigacio\u0301n Sanitaria Hospital 12 de Octubre i+12 , ,","place":["Madrid, Spain, 28040"]},{"name":"Networking Research Center on Bioengineering, Biomaterials and Nanomedicine (CIBER-BBN) , ,","place":["Madrid, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ana","family":"Garci\u0301a","sequence":"additional","affiliation":[{"name":"Universidad Complutense de Madrid , , Instituto de Investigacio\u0301n Sanitaria Hospital 12 de Octubre i+12 , ,","place":["Madrid, Spain, 28040"]},{"name":"Networking Research Center on Bioengineering, Biomaterials and Nanomedicine (CIBER-BBN) , ,","place":["Madrid, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daniel","family":"Arcos","sequence":"additional","affiliation":[{"name":"Universidad Complutense de Madrid , , Instituto de Investigacio\u0301n Sanitaria Hospital 12 de Octubre i+12 , ,","place":["Madrid, Spain, 28040"]},{"name":"Networking Research Center on Bioengineering, Biomaterials and Nanomedicine (CIBER-BBN) , ,","place":["Madrid, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mari\u0301a","family":"Vallet-Regi\u0301","sequence":"additional","affiliation":[{"name":"Universidad Complutense de Madrid , , Instituto de Investigacio\u0301n Sanitaria Hospital 12 de Octubre i+12 , ,","place":["Madrid, Spain, 28040"]},{"name":"Networking Research Center on Bioengineering, Biomaterials and Nanomedicine (CIBER-BBN) , ,","place":["Madrid, Spain"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9409-2601","authenticated-orcid":true,"given":"Mattias","family":"Ede\u0301n","sequence":"additional","affiliation":[{"name":"Stockholm University , , ,","place":["Stockholm, Sweden, SE-106 91"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2017,5,23]]},"reference":[{"key":"2026090109243385200_cit1","doi-asserted-by":"publisher","first-page":"271","DOI":"10.1146\/annurev.matsci.28.1.271","article-title":"The Material Bone:\nStructural-Mechanical Function Relations","volume":"28","author":"Weiner","year":"1998","journal-title":"Annu.\nRev. 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