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Natural abundance 43 Ca solid‐state NMR characterisation of hydroxyapatite: identification of the two calcium sites
Author(s) -
Laurencin Danielle,
Wong Alan,
Dupree Ray,
Smith Mark E.
Publication year - 2008
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.2117
Subject(s) - chemistry , apatite , calcium , crystallography , solid state , analytical chemistry (journal) , abundance (ecology) , nuclear magnetic resonance spectroscopy , nuclear chemistry , mineralogy , stereochemistry , chromatography , organic chemistry , fishery , biology
Natural abundance 43 Ca solid‐state NMR of hydroxyapatite (Ca 10 (PO 4 ) 6 (OH) 2 ) was performed at three different fields (8.45, 14.1 and 18.8 T). The two crystallographically distinct calcium sites of the apatite structure were spectroscopically resolved at 18.8 T. The 43 Ca NMR interaction parameters (δ iso , C Q and eta Q ) of each site were determined by multiple magnetic‐field simulations. The peaks with δ iso = 11.2 ± 0.8 and − 1.8 ± 0.8 ppm, both with C Q = 2.6 ± 0.4 MHz, were assigned to the Ca(II) and Ca(I) sites, respectively, on the basis of their relative intensities. Copyright © 2008 John Wiley & Sons, Ltd.