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dc.contributor.authorLu, B.Q.
dc.contributor.authorGarcia, Natalya
dc.contributor.authorChevrier, D.M.
dc.contributor.authorZhang, P.
dc.contributor.authorRaiteri, Paolo
dc.contributor.authorGale, Julian
dc.contributor.authorGebauer, D.
dc.date.accessioned2019-12-02T07:07:53Z
dc.date.available2019-12-02T07:07:53Z
dc.date.issued2019
dc.identifier.citationLu, 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.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/77072
dc.identifier.doi10.1021/acs.cgd.9b00274
dc.description.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. ©

dc.languageEnglish
dc.publisherAMER CHEMICAL SOC
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/FL180100087
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/FT130100463
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/DP160100677
dc.subjectScience & Technology
dc.subjectPhysical Sciences
dc.subjectTechnology
dc.subjectChemistry, Multidisciplinary
dc.subjectCrystallography
dc.subjectMaterials Science, Multidisciplinary
dc.subjectChemistry
dc.subjectMaterials Science
dc.subjectX-RAY-ABSORPTION
dc.subjectOCTACALCIUM PHOSPHATE
dc.subjectELECTRON-MICROSCOPY
dc.subjectCA/P RATIO
dc.subjectBONE
dc.subjectCRYSTALLINE
dc.subjectMINERALIZATION
dc.subjectTRANSFORMATION
dc.subjectCARBONATE
dc.subjectENVIRONMENT
dc.titleShort-Range Structure of Amorphous Calcium Hydrogen Phosphate
dc.typeJournal Article
dcterms.source.volume19
dcterms.source.number5
dcterms.source.startPage3030
dcterms.source.endPage3038
dcterms.source.issn1528-7483
dcterms.source.titleCrystal Growth and Design
dc.date.updated2019-12-02T07:07:52Z
curtin.note

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

curtin.departmentSchool of Molecular and Life Sciences (MLS)
curtin.accessStatusFulltext not available
curtin.facultyFaculty of Science and Engineering
dcterms.source.eissn1528-7505
dc.date.embargoEnd2020-04-02


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