Magnesium incorporation into hydroxyapatite
Laurencin, Danielle, Almora-Barrios, Neyvis, Leeuw, Nora H. de, Gervais, Christel, Bonhomme, Christian, Mauri, Francesco, Chrzanowski, Wojciech, Knowles, Jonathan C., Newport, Robert J., Wong, Alan, Gan, Zhehong and Smith, Mark E.. (2011) Magnesium incorporation into hydroxyapatite. Biomaterials, Vol.32 (No.7). pp. 1826-1837. ISSN 0142-9612
WRAP_Smith_9774456-vcs_office-041211-mg_ha_v10.pdf - Accepted Version - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Official URL: http://dx.doi.org/10.1016/j.biomaterials.2010.11.0...
The incorporation of Mg in hydroxyapatite (HA) was investigated using multinuclear solid state NMR, X-ray absorption spectroscopy (XAS) and computational modeling. High magnetic field 43Ca solid state NMR and Ca K-edge XAS studies of a ∼10% Mg-substituted HA were performed, bringing direct evidence of the preferential substitution of Mg in the Ca(II) position. 1H and 31P solid state NMR show that the environment of the anions is disordered in this substituted apatite phase. Both Density Functional Theory (DFT) and interatomic potential computations of Mg-substituted HA structures are in agreement with these observations. Indeed, the incorporation of low levels of Mg in the Ca(II) site is found to be more favourable energetically, and the NMR parameters calculated from these optimized structures are consistent with the experimental data. Calculations provide direct insight in the structural modifications of the HA lattice, due to the strong contraction of the M⋯O distances around Mg. Finally, extensive interatomic potential calculations also suggest that a local clustering of Mg within the HA lattice is likely to occur. Such structural characterizations of Mg environments in apatites will favour a better understanding of the biological role of this cation.
|Item Type:||Journal Article|
|Subjects:||Q Science > QC Physics|
|Divisions:||Administration > Vice Chancellor's Office
Faculty of Science > Physics
|Library of Congress Subject Headings (LCSH):||Magnesium, Hydroxyapatite, Nuclear magnetic resonance spectroscopy, X-ray spectroscopy|
|Journal or Publication Title:||Biomaterials|
|Publisher:||Elsevier Science BV|
|Official Date:||March 2011|
|Page Range:||pp. 1826-1837|
|Access rights to Published version:||Restricted or Subscription Access|
|Funder:||Centre national de la recherche scientifique (France) (CNRS), Biotechnology and Biological Sciences Research Council (Great Britain) (BBSRC), Engineering and Physical Sciences Research Council (EPSRC), University of Warwick, University College London, Royal Society (Great Britain), Advantage West Midlands (AWM), European Regional Development Fund (ERDF), Sixth Framework Programme (European Commission) (FP6), Natural Sciences and Engineering Research Council of Canada (NSERC), National Research Foundation of Korea (NRF), Korea (South). Kyoyuk Kwahak Kisulbu [Ministry of Education, Science and Technology] (MEST), ELETTRA, European Union (EU), Birmingham Science City|
|Grant number:||EP/D504872 (EPSRC), R31-10069 (NRF), 091461 (CNRS), 2007512 (ELETTRA), RII3-CT-2004-506008-IA-SFS (EU)|
1. Elliott JC. Studies in Inorganic Chemistry Volume 18: Structure and Chemistry of the Apatites and Other Calcium Orthophosphates, 1994.
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