TY - JOUR

T1 - Natural abundance Ca-43 solid-state NMR characterisation of hydroxyapatite: identification of the two calcium sites

AU - Laurencin, Danielle

AU - Wong, Alan

AU - Dupree, Ray

AU - Smith, Mark E.

PY - 2008/4/1

Y1 - 2008/4/1

N2 - Natural abundance 43 Ca solid-state NMR of hydroxyapatite (Ca-10(PO4)(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 (delta(iso), C-Q and eta Q) of each site were determined by multiple magnetic-field simulations. The peaks with delta(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 (C) 2008 John Wiley & Sons, Ltd.

AB - Natural abundance 43 Ca solid-state NMR of hydroxyapatite (Ca-10(PO4)(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 (delta(iso), C-Q and eta Q) of each site were determined by multiple magnetic-field simulations. The peaks with delta(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 (C) 2008 John Wiley & Sons, Ltd.

KW - NMR, Ca-43, multiple magnetic field analysis, hydroxyapatite

U2 - 10.1002/mrc.2117

DO - 10.1002/mrc.2117

M3 - Journal article

VL - 46

SP - 347

EP - 350

JO - Magnetic Resonance in Chemistry

JF - Magnetic Resonance in Chemistry

SN - 1097-458X

IS - 4

ER -