EL Arnold
Investigating pair distribution function use in analysis of nanocrystalline hydroxyapatite and carbonate-substituted hydroxyapatite
Arnold, EL; Keeble, DS; Evans, JPO; Greenwood, CE; Rogers, KD
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 |
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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https://creativecommons.org/licenses/by/4.0/
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