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Short-Range Structure of Amorphous Calcium Hydrogen Phosphate
Lu, Bing-Qiang; Garcia, Natalya A.; Chevrier, Daniel M.; Zhang, Peng; Raiteri, Paolo; Gale, Julian D.; Gebauer, Denis
2019-05-01
Source PublicationCRYSTAL GROWTH & DESIGN
ISSN1528-7483
Volume19Issue:5Pages:3030
SubtypeArticle
AbstractCalcium orthophosphates (CaPs) are the hard constituents of bones and teeth, and thus of ultimate importance to humankind, while amorphous CaPs (ACPs) may play crucial roles in CaP biomineralization. Among the various ACPs with Ca/P atomic ratios between 1.0-1.5, an established structural model exists for basic ACP (Ca/P = 1.5), while those of other ACPs remain unclear. Herein, the structure of amorphous calcium hydrogen phosphate (ACHP; Ca/P = 1.0) obtained via aqueous routes at near-neutral pH values, without stabilizers, was studied by experiments (mainly, TEM with ED, XRD, IR, and NMR spectroscopies, as well as XAS) and computer simulation. Our results globally show that ACHP has a distinct short-range structure, and we propose calcium hydrogen phosphate clusters (CHPCs) as its basic unit. This model is consistent with both computer simulations and the experimental results, where CHPCs are arranged together with water molecules to build up ACHP. We demonstrate that Posner's clusters, which are conventionally accepted to be the building unit of basic ACPs, do not represent the short-range structure of ACHP, as Posner's clusters and CHPCs are structurally distinct. This finding is important not only for the determination of the structures of diverse ACPs with varying Ca/ P atomic ratios but also for fundamental understanding of a major mineral class that is central to biomineralization in vertebrates and, thus, humans, in particular.
DOI10.1021/acs.cgd.9b00274
Language英语
WOS Research AreaChemistry ; Crystallography ; Materials Science
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:10[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sic.ac.cn/handle/331005/27143
Collection中国科学院上海硅酸盐研究所
Recommended Citation
GB/T 7714
Lu, Bing-Qiang,Garcia, Natalya A.,Chevrier, Daniel M.,et al. Short-Range Structure of Amorphous Calcium Hydrogen Phosphate[J]. CRYSTAL GROWTH & DESIGN,2019,19(5):3030.
APA Lu, Bing-Qiang.,Garcia, Natalya A..,Chevrier, Daniel M..,Zhang, Peng.,Raiteri, Paolo.,...&Gebauer, Denis.(2019).Short-Range Structure of Amorphous Calcium Hydrogen Phosphate.CRYSTAL GROWTH & DESIGN,19(5),3030.
MLA Lu, Bing-Qiang,et al."Short-Range Structure of Amorphous Calcium Hydrogen Phosphate".CRYSTAL GROWTH & DESIGN 19.5(2019):3030.
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