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    Short-Range Structure of Amorphous Calcium Hydrogen Phosphate

    77294.pdf (7.463Mb)
    Access Status
    Open access
    Authors
    Lu, B.Q.
    Garcia, Natalya
    Chevrier, D.M.
    Zhang, P.
    Raiteri, Paolo
    Gale, Julian
    Gebauer, D.
    Date
    2019
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Lu, B.Q. and Garcia, N.A. and Chevrier, D.M. and Zhang, P. and Raiteri, P. and Gale, J.D. and Gebauer, D. 2019. Short-Range Structure of Amorphous Calcium Hydrogen Phosphate. Crystal Growth and Design. 19 (5): pp. 3030-3038.
    Source Title
    Crystal Growth and Design
    DOI
    10.1021/acs.cgd.9b00274
    ISSN
    1528-7483
    Faculty
    Faculty of Science and Engineering
    School
    School of Molecular and Life Sciences (MLS)
    Funding and Sponsorship
    http://purl.org/au-research/grants/arc/FL180100087
    http://purl.org/au-research/grants/arc/FT130100463
    http://purl.org/au-research/grants/arc/DP160100677
    Remarks

    This document is the Accepted Manuscript version of a Published Work that appeared in final form in Crystal Growth and Design, copyright © American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see http://doi.org/10.1021/acs.cgd.9b00274

    URI
    http://hdl.handle.net/20.500.11937/77072
    Collection
    • Curtin Research Publications
    Abstract

    Copyright © 2019 American Chemical Society. 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. ©

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