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New insights into the application of pair distribution function studies to biogenic and synthetic hydroxyapatites

DOI: 10.1038/s41598-020-73200-2 DOI Help

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

Type: Journal Paper
Journal: Scientific Reports , VOL 10

State: Published (Approved)
Published: November 2020
Diamond Proposal Number(s): 18638 , 23164

Open Access Open Access

Abstract: Biogenic and synthetic hydroxyapatites are confounding materials whose properties remain uncertain, even after years of study. Pair distribution function (PDF) analysis was applied to hydroxyapatites in the 1970’s and 1980’s, but this area of research has not taken full advantage of the relatively recent advances in synchrotron facilities. Here, synchrotron X-ray PDF analysis is compared to techniques commonly used to characterise hydroxyapatite (such as wide angle X-ray scattering, Fourier-transform infrared spectroscopy and thermogravimetric analysis) for a range of biogenic and synthetic hydroxyapatites with a wide range of carbonate substitution. Contributions to the pair distribution function from collagen, carbonate and finite crystallite size were examined through principal component analysis and comparison of PDFs. Noticeable contributions from collagen were observed in biogenic PDFs when compared to synthetic PDFs (namely r < 15 Å), consistent with simulated PDFs of collagen structures. Additionally, changes in local structure were observed for PDFs of synthetic hydroxyapatites with differing carbonate content, notably in features near 4 Å, 8 Å and 19 Å. Regression models were generated to predict carbonate substitution from peak position within the PDFs.

Diamond Keywords: Bone

Subject Areas: Biology and Bio-materials

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


Discipline Tags:

Life Sciences & Biotech Structural biology

Technical Tags:

Scattering Pair Distribution Function (PDF)