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

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dc.contributor.authorArnold, Emily
dc.contributor.authorKeeble, Dean S.
dc.contributor.authorGreenwood, Charlene
dc.contributor.authorRogers, Keith D.
dc.date.accessioned2020-11-19T16:26:24Z
dc.date.available2020-11-19T16:26:24Z
dc.date.issued2020-11-11
dc.description.abstractBiogenic 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.en_UK
dc.identifier.citationArnold E, Keeble D, Greenwood C, Rogers K. (2020) New insights into the application of pair distribution function studies to biogenic and synthetic hydroxyapatites. Scientific Reports, Volume 10, November 2020, Article number 19597en_UK
dc.identifier.issn2045-2322
dc.identifier.urihttps://doi.org/10.1038/s41598-020-73200-2
dc.identifier.urihttp://dspace.lib.cranfield.ac.uk/handle/1826/16015
dc.language.isoenen_UK
dc.publisherSpringeren_UK
dc.rightsAttribution 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.titleNew insights into the application of pair distribution function studies to biogenic and synthetic hydroxyapatitesen_UK
dc.typeArticleen_UK

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