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

Arnold, EL; Keeble, DS; Evans, JPO; Greenwood, CE; Rogers, KD

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


Authors

EL Arnold

DS Keeble

JPO Evans

KD Rogers



Abstract

Hydroxyapatite (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 realspace 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.

Journal Article Type Article
Acceptance Date Mar 25, 2022
Publication Date May 1, 2022
Publicly Available Date Mar 28, 2024
Journal Acta Crystallographica Section C: Structural Chemistry
Print ISSN 2053-2296
Publisher International Union of Crystallography
Peer Reviewed Peer Reviewed
Volume C78
Issue PART 5
Pages 271 - 279
DOI https://doi.org/10.1107/s2053229622003400
Keywords powder diffraction; bone mineral; carbonate-substituted hy­droxy­apatite; X-ray diffraction; total scattering; pair distribution function.
Publisher URL https://scripts.iucr.org/cgi-bin/paper?S2053229622003400

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