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

DOI: 10.1107/S2053229622003400 DOI Help

Authors: Emily L. Arnold (Cranfield University) , Dean S. Keeble (Diamond Light Source) , J. P. O. Evans (Nottingham Trent University) , Charlene Greenwood (Keele University) , Keith D. Rogers (Cranfield University)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Acta Crystallographica Section C Structural Chemistry , VOL 78

State: Published (Approved)
Published: May 2022
Diamond Proposal Number(s): 18638

Open Access Open Access

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 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.

Journal Keywords: powder diffraction; bone mineral; carbonate-substituted hy­droxy­apatite; X-ray diffraction; total scattering; pair distribution function

Diamond Keywords: Bone

Subject Areas: Biology and Bio-materials

Instruments: I15-1-X-ray Pair Distribution Function (XPDF)

Other Facilities: Cranfield University Laboratory Facilities

Added On: 05/04/2022 16:09


Discipline Tags:

Life Sciences & Biotech

Technical Tags:

Scattering Pair Distribution Function (PDF)