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

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 dedi...

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Autores principales: Arnold, Emily L., Keeble, Dean S., Evans, J. P. O., Greenwood, Charlene, Rogers, Keith D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069248/
https://www.ncbi.nlm.nih.gov/pubmed/35510432
http://dx.doi.org/10.1107/S2053229622003400
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author Arnold, Emily L.
Keeble, Dean S.
Evans, J. P. O.
Greenwood, Charlene
Rogers, Keith D.
author_facet Arnold, Emily L.
Keeble, Dean S.
Evans, J. P. O.
Greenwood, Charlene
Rogers, Keith D.
author_sort Arnold, Emily L.
collection PubMed
description 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.
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spelling pubmed-90692482022-05-10 Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite Arnold, Emily L. Keeble, Dean S. Evans, J. P. O. Greenwood, Charlene Rogers, Keith D. Acta Crystallogr C Struct Chem Research Papers 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. International Union of Crystallography 2022-04-05 /pmc/articles/PMC9069248/ /pubmed/35510432 http://dx.doi.org/10.1107/S2053229622003400 Text en © Arnold et al. 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Papers
Arnold, Emily L.
Keeble, Dean S.
Evans, J. P. O.
Greenwood, Charlene
Rogers, Keith D.
Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite
title Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite
title_full Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite
title_fullStr Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite
title_full_unstemmed Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite
title_short Investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite
title_sort investigating pair distribution function use in analysis of nanocrystalline hy­droxy­apatite and carbonate-substituted hy­droxy­apatite
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9069248/
https://www.ncbi.nlm.nih.gov/pubmed/35510432
http://dx.doi.org/10.1107/S2053229622003400
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