Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite

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dc.contributor.authorArnold, Emily
dc.contributor.authorKeeble, Dean S.
dc.contributor.authorEvans, J. Paul O.
dc.contributor.authorGreenwood, Charlene
dc.contributor.authorRogers, Keith D.
dc.date.accessioned2022-04-14T15:17:54Z
dc.date.available2022-04-14T15:17:54Z
dc.date.issued2022-04-14
dc.description.abstractHy­droxy­apatite (HA) is a com­plex material, which is often nanocrystalline when found within a biological setting. This work has directly com­pared the structural characteristics derived from data collected using a conventional laboratory-based X-ray diffractometer with those collected from a dedicated pair distribution function (PDF) beamline at Diamond Light Source. In particular, the application of PDF analysis methods to carbonated HA is evaluated. 20 synthetic samples were measured using both X-ray diffraction (XRD) and PDFs. Both Rietveld refinement (of laboratory XRD data) and real-space refinement (of PDF data) were used to analyse all samples. The results of Rietveld and real-space refinements were com­pared to evaluate their application to crystalline and nanocrystalline hy­droxy­apatite. Significant relationships were observed between real-space refinement parameters and increasing carbonate substitution. Understanding the local order of synthetic hy­droxy­apatite can benefit several fields, including both biomedical and clinical settings.en_UK
dc.description.sponsorshipEngineering and Physical Sciences Research Council (EPSRC): EP/T034238/1. Royal Society Wolfson Fellowship: RSWF/R1/180012. Diamond Light Source, instrument I15-1: proposal ee18638.en_UK
dc.identifier.citationArnold EL, Keeble DS, Evans JPO, et al., (2022) Investigating pair distribution function use in analysis of Nanocrystalline Hydroxyapatite and Carbonate Substituted Hydroxyapatite, Acta Crystallographica Section C: Structural Chemistry, Volume 78, Issue 5, May 2022, pp. 271-279.en_UK
dc.identifier.issn2053-2296
dc.identifier.urihttps://doi.org/10.1107/S2053229622003400
dc.identifier.urihttp://dspace.lib.cranfield.ac.uk/handle/1826/17773
dc.language.isoenen_UK
dc.publisherInternational Union of Crystallographyen_UK
dc.rightsAttribution 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.subjectpowder diffractionen_UK
dc.subjectbone mineralen_UK
dc.subjectcarbonate-substituted hydroxyapatiteen_UK
dc.subjectX-ray diffractionen_UK
dc.subjecttotal scatteringen_UK
dc.subjectpair distribution functionen_UK
dc.titleInvestigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatiteen_UK
dc.typeArticleen_UK

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