Short-Range Structure of Amorphous Calcium Hydrogen Phosphate

doi:10.1021/acs.cgd.9b00274

	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
刊名	CRYSTAL GROWTH & DESIGN
	2019-05-01
卷号	19 期号:5 页码:3030
ISSN号	1528-7483
DOI	10.1021/acs.cgd.9b00274
文献子类	Article
英文摘要	Calcium 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.
WOS研究方向	Chemistry ; Crystallography ; Materials Science
语种	英语
出版者	AMER CHEMICAL SOC
内容类型	期刊论文
源URL	[http://ir.sic.ac.cn/handle/331005/27143]
专题	中国科学院上海硅酸盐研究所
推荐引用方式 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.