Development of 43Ca solid state NMR spectroscopy as a probe of local structure in inorganic and molecular materials

Progress in Nuclear Magnetic Resonance Spectroscopy

Volumn 68, Issue , 2013, Pages 1-40

  Laurencin, Danielle ^a   Smith, Mark E ^b,c  

^a UNIVERSITÉ DE MONTPELLIER   (France)

^b LANCASTER UNIVERSITY   (United Kingdom)

^c UNIVERSITY OF WARWICK   (United Kingdom)

Author keywords

DFT; GIPAW; Inorganic; Local structure; Materials; Molecular; Solid state

Indexed keywords

CHEMICAL SHIFT; ISOTOPES; LIGHT POLARIZATION; MATERIALS; NUCLEAR ENERGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

DFT; GIPAW; INORGANIC; LOCAL STRUCTURE; MOLECULAR;

CALCIUM;

EID: 84874531703     PISSN: 00796565     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.pnmrs.2012.05.001     Document Type: Review

References (152)

1. N.N. Greenwood, and A. Earnshaw Chemistry of the Elements first ed. 1984 Pergamon Press Oxford pp. 117-120
2. J.C. Elliott Structure and Chemistry of the Apatites and Other Calcium Orthophosphates 1994 Elsevier Amsterdam
3. D. Laurencin, A. Wong, W. Chrzanowski, J.C. Knowles, D. Qiu, D.M. Pickup, R.J. Newport, Z. Gan, M.J. Duer, and M.E. Smith Probing the calcium and sodium local environment in bones and teeth using multinuclear solid state NMR and X-ray absorption spectroscopy Phys. Chem. Chem. Phys. 12 2010 1081 1091
4. R. Oberti, S. Quartieri, M.C. Dalconi, F. Boscherini, G. Iezzi, and M. Boiocchi Distinct local environments for Ca along the non-ideal pyrope-grossular solid solution: a new model based on crystallographic and EXAFS analysis Chem. Geol. 225 2006 347 359
5. S. Pattanaik, G.P. Huffman, S. Sahu, and R.J. Lee X-ray absorption fine structure spectroscopy and X-ray diffraction study of cementitious materials derived from coal combustion by-products Cement Concrete Res. 34 2004 1243 1249
6. J.E. Harries, J.C. Irlam, C. Holt, S.S. Hasnain, and D.W.L. Hukins Analysis of EXAFS spectra from the brushite and monetite forms of calcium phosphate Mater. Res. Bull. 22 1987 1151 1157
7. J.E. Harries, D.W.L. Hukins, and S.S. Hasnain Analysis of the EXAFS spectrum of hydroxyapatite J. Phys. C: Solid State Phys. 19 1986 6859 6872
8. A. Li, D. Wang, J. Xiang, R.J. Newport, M.X. Reinholdt, P.H. Mutin, D. Vantelon, C. Bonhomme, M.E. Smith, D. Laurencin, and D. Qiu Insights into new calcium phosphosilicate xerogels using an advanced characterization methodology J. Non-Cryst. Solids 357 2011 3548 3555
9. F.E. Sowrey, L.J. Skipper, D.M. Pickup, K.O. Drake, Z. Lin, M.E. Smith, and R.J. Newport Systematic empirical analysis of calcium-oxygen coordination environment by calcium K-edge XANES Phys. Chem. Chem. Phys. 6 2004 188 192
10. D.R. Neuville, L. Cormier, A.-M. Flank, V. Briois, and D. Massiot Al speciation and Ca environment in calcium glasses and crystals by Al and Ca K-edge X-ray absorption spectroscopy Chem. Geol. 213 2004 153 163
11. 2 glasses: influence of cation mixing and cation-network interactions Chem. Geol. 213 2004 103 113
12. J. Burgess, and E. Raven Calcium in biological systems R. van Eldik, C.D. Hubbard, Advances in Inorganic Chemistry vol. 61 2009 Elsevier Amsterdam 251 366
13. J. Kordel, N.J. Skelton, M. Akke, and W.J. Chazin High-resolution solution structure of calcium-loaded calbindin D9k J. Mol. Biol. 231 1993 711 734
14. C.A. Bottoms, J.P. Schuermann, S. Agah, M.T. Henzl, and J.J. Tanner Crystal structure of rat α-parvalbumin at 1.05 resolution Protein Sci. 13 2004 1724 1734
15. 2+-calmodulin reveals flexible hand-like properties of its domains Nat. Struct. Biol. 8 2001 990 997
16. M. Svaerd, T. Drakenberg, T. Andersson, and P. Fernlund Calcium binding to bone γ-carboxyglutamic acid protein from calf studied by calcium-43 NMR Eur. J. Biochem. 158 1986 373 378
17. T. Drakenberg, T. Andersson, S. Forsen, and T. Wieloch Calcium ion binding to pancreatic phospholipase A2 and its zymogen: a calcium-43 NMR study Biochemistry 23 1984 2387 2392
18. T. Andersson, T. Drakenberg, S. Forsen, E. Thulin, and M. Swaerd Direct observation of the calcium-43 NMR signals from calcium(2+) bound to proteins J. Am. Chem. Soc. 104 1982 576 580
19. 25Mg NMR study of rabbit skeletal muscle troponin C: exchange rates and binding constants FEBS Lett. 125 1981 39 43
20. 2+ sites in organic complexes and in metalloproteins J. Phys. Chem. A 112 2008 9807 9813
21. 2+ ion binding to G-quartets Chem. Commun. 2008 682 684
22. R.G. Bryant Nuclear magnetic resonance study of calcium-43 J. Am. Chem. Soc. 91 1969 1870 1871
23. O. Lutz, A. Schwenk, and A. Uhl Nuclear magnetic resonance studies of calcium-43 Z. Naturforsch., Teil A 28 1973 1535 1536
24. J. Parello, H. Lilja, A. Cave, and B. Lindman A calcium-43 NMR study of the binding of calcium to parvalbumins FEBS Lett. 87 1978 191 195
25. P. Robertson Jr., R.G. Hiskey, and K.A. Koehler Calcium and magnesium binding to γ-carboxyglutamic acid-containing peptides via metal ion nuclear magnetic resonance J. Biol. Chem. 253 1978 5880 5883
26. T. Andersson, T. Drakenberg, S. Forsen, T. Wieloch, and M. Lindstroem Calcium binding to porcine pancreatic prophospholipase A2 studied by calcium-43 NMR FEBS Lett. 123 1981 115 117
27. E. Bouhoutsos-Brown, D. Murk Rose, and R.G. Bryant High resolution alkaline earth NMR J. Inorg. Nucl. Chem. 43 1981 2247 2248
28. R.M. Farmer, and A.I. Popov Calcium-43 NMR study of calcium salts in various solvents Inorg. Nucl. Chem. Lett. 17 1981 51 56
29. S. Forsen, T. Andersson, T. Drakenberg, E. Thulin, and T. Wieloch NMR studies of calcium and magnesium in biological systems Adv. Solut. Chem. 5th 1981 191 208
30. H.G. Kraft, P. Peringer, and B.M. Rode Metal NMR investigations on the binding of dicarbonyl ligands to alkali and alkaline earth ions Inorg. Chim. Acta 48 1981 135 137
31. T. Andersson, T. Drakenberg, S. Forsen, and E. Thulin Characterization of the calcium ion binding sites of calmodulin from bovine testis using calcium-43 and cadmium-113 NMR Eur. J. Biochem. 126 1982 501 505
32. T. Drakenberg, S. Forsen, and H. Lilja Calcium-43 NMR studies of calcium binding to proteins: interpretation of experimental data by bandshape analysis J. Magn. Reson. 53 1983 412 422
33. W.H. Braunlin, H.J. Vogel, T. Drakenberg, and A. Bennick A calcium-43 NMR study of calcium binding to an acidic proline-rich phosphoprotein from human saliva Biochemistry 25 1986 584 589
34. Y. Ogoma, T. Shimizu, M. Hatano, T. Fujii, A. Hachimori, and Y. Kondo Calcium-43 nuclear magnetic resonance spectra of calcium(2+)-S100 protein solutions Inorg. Chem. 27 1988 1853 1855
35. J.M. Aramini, T. Drakenberg, T. Hiraoki, Y. Ke, K. Nitta, and H.J. Vogel Calcium-43 NMR studies of calcium-binding lysozymes and α-lactalbumins Biochemistry 31 1992 6761 6768
36. Y. Ogoma, H. Kobayashi, T. Fujii, Y. Kondo, A. Hachimori, T. Shimizu, and M. Hatano Binding study of metal ions to S100 protein: calcium-43, magnesium-25, zinc-65 and potassium-39 NMR Int. J. Biol. Macromol. 14 1992 279 286
37. 43Ca NMR study combined with surface polarity analysis J. Biomol. Struct. Dyn. 19 2001 59 74
38. T. Drakenberg, Calcium-43 NMR of calcium-binding proteins. Methods in Molecular Biology (Totowa, NJ, United States) 173 (Calcium-Binding Protein Protocols, Volume 2) (2002) 217-230.
39. R.K. Harris, E.D. Becker, S.M. Cabral De Menezes, R. Goodfellow, and P. Granger NMR nomenclature. Nuclear spin properties and conventions for chemical shifts (IUPAC recommendations 2001) Pure Appl. Chem. 73 2001 1795 1818
40. I.P. Gerothanassis Methods of avoiding the effects of acoustic ringing in pulsed Fourier transform nuclear magnetic resonance spectroscopy Prog. Nucl. Magn. Reson. Spectrosc. 19 1987 267 329
41. R.G. Bryant, S. Ganapathy, and S.D. Kennedy High-resolution calcium-43 NMR in solids J. Magn. Reson. 72 1987 376 378
42. P. Pyykko Year-2008 nuclear quadrupole moments Mol. Phys. 106 2008 1965 1974
43. This updates the value of -49 mb quoted in Table 1.2 in Ref. [57].
44. M.E. Smith, and E.R.H. Van Eck Recent advances in experimental solid state NMR methodology for half-integer spin quadrupolar nuclei Prog. Nucl. Magn. Reson. Spectrosc. 34 1999 159 201
45. 2 Phys. Lett. 15 1965 7 8
46. D.A. McArthur, E.L. Hahn, and R.E. Walstedt Rotating-frame nuclear-double-resonance dynamics: dipolar fluctuation spectrum in calcium fluoride Phys. Rev. 188 1969 609 638
47. J.F. Jacquinot, W.T. Wenckebach, M. Chapellier, M. Goldman, and A. Abragam Nuclear ferromagnetism C. R. Acad. Sci., Ser. B: Sci. Phys. 278 1974 93 96
48. J.F. Jacquinot, W.T. Wenckebach, M. Goldman, and A. Abragam Polarization and NMR observation of calcium-43 nuclei in calcium fluoride Phys. Rev. Lett. 32 1974 1096 1097
49. M. Goldman, and J.F. Jacquinot Measurement of calcium-43-fluorine-19 dipolar energy in antiferromagnetic calcium fluoride Phys. Rev. Lett. 36 1976 330 333
50. H.E. Bleich, and A.G. Redfield Higher resolution NMR of rare spins in solids J. Chem. Phys. 55 11 1971 5405 5406
51. 2n+4 compounds: from underdoped to overdoped regime Phys. C: Supercond. 235-240 Pt. 3 1994 1703 1704
52. y studied by NMR/NQR method Phys. C: Supercond. 226 1-2 1994 43 52
53. c cuprates J. Chim. Phys. Phys.-Chim. Biol. 91 1994 862 868
54. c superconductors Z. Naturforsch., A: Phys. Sci. 49 1994 373 378
55. 43Ca NMR spectroscopy of the sol-gel transformation of the calcium-silicate complex C. R. Acad. Sci., Ser. IIb: Mec., Phys. Chim. Astron. 320 1995 485 488
56. M.E. Smith Solid state investigations of less-common nuclei with small magnetic moments Encycl. Nucl. Magn. Reson. 9 2002 607 620
57. K.J.D. MacKenzie, and M.E. Smith Multinuclear Solid-State NMR of Inorganic Materials 2002 Pergamon Amsterdam
58. 43Ca NMR Chem. Phys. Lett. 276 1997 399 404
59. 43Ca solid-state NMR spectroscopy J. Am. Chem. Soc. 130 2008 9282 9292
60. 43Ca NMR approach Chem. Phys. Lett. 464 2008 42 48
61. 43Ca NMR of calcium peroxides involved in the disproportionation of hydrogen peroxide by calcium hydroxide Solid State Nucl. Magn. Reson. 25 2004 209 215
62. 43Ca NMR Phys. Rev. B: Conden. Matter Mater. Phys. 69 2004 224107
63. H. Zanni, R. Rassem-Bertolo, S. Masse, L. Fernandez, P. Nieto, and B. Bresson A spectroscopic NMR investigation of the calcium silicate hydrates present in cement and concrete Magn. Reson. Imag. 14 1996 827 831
64. 19 Thermochim. Acta 363 2000 181 188
65. 43Ca NMR in solid state J. Chim. Phys. Phys.-Chim. Biol. 95 1998 280 288
66. L.A. O'Dell Direct detection of nitrogen-14 in solid-state NMR spectroscopy Prog. Nucl. Magn. Reson. Spectrosc. 59 2011 295 318
67. 43Ca NMR spectroscopy Dalton Trans. 39 2010 8593 8602
68. 43Ca solid-state NMR study of the calcium sites of hydroxyapatite J. Am. Chem. Soc. 130 2008 2412 2413
69. 43Ca solid state NMR spectroscopy: toward the elucidation of calcium sites in biological materials J. Am. Chem. Soc. 131 2009 13430 13440
70. 1H correlation solid-state NMR spectroscopy Solid State Nucl. Magn. Reson. 35 2009 32 36
71. J. Mason Conventions for the reporting of nuclear magnetic shielding (or shift) tensors suggested by participants in the NATO ARW on NMR Shielding Constants at the University of Maryland, College Park, July 1992 Solid State Nucl. Magn. Reson. 2 1993 285 288
72. C.M. Widdifield, and D.L. Bryce A multinuclear solid-state magnetic resonance and GIPAW DFT study of anhydrous calcium chloride and its hydrates Can. J. Chem. 89 2011 754 763
73. 25Mg QCPMG NMR of bis(cyclopentadienyl)magnesium Solid State Nucl. Magn. Reson. 24 2003 78 93
74. P.J. Pallister, I.L. Moudrakovski, and J.A. Ripmeester Mg-25 ultra-high field solid state NMR spectroscopy and first principles calculations of magnesium compounds Phys. Chem. Chem. Phys. 11 2009 11487 11500
75. G.M. Bowers, A.S. Lipton, and K.T. Mueller High-field QCPMG NMR of strontium nuclei in natural minerals Solid State Nucl. Magn. Reson. 29 2006 95 103
76. Private communication by C. Bonhomme and C. Gervais.
77. K. Shimoda, Y. Tobu, K. Kanehashi, T. Nemoto, and K. Saito First evidence of multiple Ca sites in amorphous slag structure. Multiple-quantum MAS NMR spectroscopy on calcium-43 at high magnetic field Solid State Nucl. Magn. Reson. 30 2006 198 202
78. 3 glass: simulation from first-principles Phys. Chem. Chem. Phys. 12 2010 6054 6066
79. J.C.C. Freitas, M.E. Smith, Annual Reports on NMR Spectroscopy 75 (2012) 25-114.
80. 47,49Ti) solid-state NMR of titanium substituted zeolite USY Solid State Nucl. Magn. Reson. 24 2003 184 195
81. 47/49Ti solid-state NMR study of layered titanium phosphates at ultrahigh magnetic field J. Phys. Chem. C 113 2009 10029 10037
82. 43Ca) NMR measurements supplemented with molecular modeling calculations J. Mol. Struct. 993 2011 336 340
83. T.F. Kemp, and M.E. Smith QuadFit-a new cross-platform computer program for simulation of NMR line shapes from solids with distributions of interaction parameters Solid State Nucl. Magn. Reson. 35 2009 243 252
84. D. Massiot, F. Fayon, M. Capron, I. King, S. Le Calve, B. Alonso, J.-O. Durand, B. Bujoli, Z. Gan, and G. Hoatson Modeling one- and two-dimensional solid-state NMR spectra Magn. Reson. Chem. 40 2002 70 76
85. P.K. Madhu, A. Goldbourt, L. Frydman, and S. Vega Sensitivity enhancement of the MQMAS NMR experiment by fast amplitude modulation of the pulses Chem. Phys. Lett. 307 1999 41 47
86. Z. Yao, H.T. Kwak, D. Sakellariou, L. Emsley, and P.J. Grandinetti Sensitivity enhancement of the central transition NMR signal of quadrupolar nuclei under magic-angle spinning Chem. Phys. Lett. 327 2000 85 90
87. H.-T. Kwak, S. Prasad, T. Clark, and P.J. Grandinetti Enhancing sensitivity of quadrupolar nuclei in solid-state NMR with multiple rotor assisted population transfers Solid State Nucl. Magn. Reson. 24 2003 71 77
88. R. Siegel, T.T. Nakashima, and R.E. Wasylishen Sensitivity enhancement of NMR spectra of half-integer quadrupolar nuclei in the solid state via population transfer Concepts Magn. Reson., Part A 26A 2005 47 61
89. A.P.M. Kentgens, and R. Verhagen Advantages of double frequency sweeps in static, MAS and MQMAS NMR of spin I = 3/2 nuclei Chem. Phys. Lett. 300 1999 435 443
90. D. Iuga, H. Schafer, R. Verhagen, and A.P.M. Kentgens Population and coherence transfer induced by double frequency sweeps in half-integer quadrupolar spin systems J. Magn. Reson. 147 2000 192 209
91. M. Bak, J.T. Rasmussen, and N.C. Nielsen SIMPSON. A general simulation program for solid-state NMR spectroscopy J. Magn. Reson. 147 2000 296 330
92. T. Braeuniger, and P.K. Madhu Fast amplitude-modulated pulse trains with frequency sweep (SW-FAM) in solid-state NMR of spin-7/2 nuclei J. Magn. Reson. 193 2008 102 109
93. F.H. Larsen, H.J. Jakobsen, P.D. Ellis, and N.C. Nielsen QCPMG-MAS NMR of half-integer quadrupolar nuclei J. Magn. Reson. 131 1998 144 147
94. R. Lefort, J.W. Wiench, M. Pruski, and J.P. Amoureux Optimization of data acquisition and processing in Carr-Purcell-Meiboom-Gill multiple quantum magic angle spinning nuclear magnetic resonance J. Chem. Phys. 116 2002 2493 2501
95. R. Siegel, T.T. Nakashima, and R.E. Wasylishen Signal-to-noise enhancement of NMR spectra of solids using multiple-pulse spin-echo experiments Concepts Magn. Reson., Part A 26A 2005 62 77
96. 137Ba electric field gradient tensors and their relation to structure and symmetry J. Phys. Chem. B 114 2010 6014 6022
97. 43Ca solid-state NMR spectroscopy Chem. Sci. 2 2011 815 818
98. M. Reinholdt, J. Croissant, L. Di Carlo, D. Granier, P. Gaveau, S. Begu, J.-M. Devoisselle, P.H. Mutin, M.E. Smith, C. Bonhomme, C. Gervais, A. van der Lee, and D. Laurencin Synthesis and characterization of crystalline structures based on phenylboronate ligands bound to alkaline earth cations Inorg. Chem. 50 2011 7802 7810
99. 43Ca MAS NMR for probing the structural configuration of calcium in glass Chem. Phys. Lett. 440 2007 324 328
100. 43Ca MQMAS NMR technique at high and ultra-high (21.8 T) magnetic fields J. Magn. Reson. 186 2007 156 159
101. 43Ca solid-state NMR spectroscopy of bone J. Am. Chem. Soc. 132 2010 11504 11509
102. 43Ca 3QMAS NMR technique Chem. Lett. 34 2005 1588 1589
103. 43Ca) solid-state NMR J. Non-Cryst. Solids 354 2008 1036 1043
104. 43Ca NMR study of calcium-containing organic solids: a model study for Ca-binding biomaterials Chem. Phys. Lett. 427 2006 201 205
105. K.J.D. MacKenzie, M.E. Smith, and A. Wong A multinuclear MAS NMR study of calcium-containing aluminosilicate inorganic polymers J. Mater. Chem. 17 2007 5090 5096
106. 43Ca solid-state NMR characterization of hydroxyapatite: identification of the two calcium sites Magn. Reson. Chem. 46 2008 347 350
107. 43Ca NMR spectroscopy of tobermorite and jennite: model compounds for C-S-H J. Am. Ceram. Soc. 92 2009 545 548
108. 43Ca NMR as a tool for exploring calcium biomineralization: renal stone formation and growth Cryst. Growth Design 11 2011 5188 5191
109. 2 crystals Phys. Rev. B: Condens. Matter Mater. Phys. 78 2008 014112/014111-014112/014117
110. S.C. Kohn, R. Dupree, and M.E. Smith A multinuclear magnetic resonance study of the structure of hydrous albite glasses Geochim. Cosmochim. Acta 53 1989 2925 2935
111. L. Frydman, and J.S. Harwood Isotropic spectra of half-integer quadrupolar spins from bidimensional magic-angle spinning NMR J. Am. Chem. Soc. 117 1995 5367 5368
112. A. Medek, J.S. Harwood, and L. Frydman Multiple-quantum magic-angle spinning NMR: a new method for the study of quadrupolar nuclei in solids J. Am. Chem. Soc. 117 1995 12779 12787
113. S.P. Brown, and S. Wimperis Two-dimensional multiple-quantum MAS NMR of quadrupolar nuclei: a comparison of methods J. Magn. Reson. 128 1997 42 61
114. J. Kanellopoulos, D. Freude, and A. Kentgens A practical comparison of MQMAS techniques Solid State Nucl. Magn. Reson. 32 2007 99 108
115. T. Gullion, and J. Schaefer Rotational-echo double-resonance NMR J. Magn. Reson. 81 1989 196 200
116. 27Al TRAPDOR NMR J. Am. Chem. Soc. 117 1995 8232 8242
117. D. Laurencin, G. Guerrero, J. Amalric, C. Bonhomme, C. Gervais, M.E. Smith, P.H. Mutin, Advanced solid state NMR techniques for the investigation of the organic-mineral interfaces in biomaterials, Mater. Res. Soc. Symp. Proc. 1236E (Biosurfaces and Biointerfaces), Paper #: 1236-SS1208-1202, 2010.
118. 3OH) nucleation at silica bioceramic surfaces J. Phys. Chem. B 104 2000 4322 4341
119. T. Charpentier The PAW/GIPAW approach for computing NMR parameters: a new dimension added to NMR study of solids Solid State Nucl. Magn. Reson. 40 2011 1 20
120. 43Ca solid state NMR in cement science Phys. Chem. Chem. Phys. 12 2010 6961 6969
121. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, and M.C. Payne First-principles simulation: ideas, illustrations and the CASTEP code J. Phys.: Condens. Matter 14 2002 2717
122. B. Pfrommer, D. Raczkowski, A. Canning, S.G. Louie, PARATEC (PARAllel Total Energy Code), Lawrence Berkeley National Laboratory, (with contributions from F. mauri, M. Cote, Y. Yoon, C. Pickard, P, Heynes) Available from:/ www.nersc.gov/projects/paratecS.
123. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Coconnioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, and R.M. Wentzcovitch QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials J. Phys.: Condens. Matter 39 2009 395502
124. 17O NMR parameters in Ca oxide and Ca aluminosilicates: the partially covalent nature of the Ca-O bond, a challenge for density functional theory J. Am. Chem. Soc. 126 2004 12628 12635
125. A. Sadoc, M. Body, C. Legein, M. Biswal, F. Fayon, X. Rocquefelte, and F. Boucher NMR parameters in alkali, alkaline earth and rare earth fluorides from first principle calculations Phys. Chem. Chem. Phys. 13 2011 18539 18550
126. 2 (M = Cu, Sr, Ba) Z. Anorg. Allgem. Chem. 625 1999 1686 1692
127. M.E. Smith Application of aluminum-27 NMR techniques to structure determination in solids Appl. Magn. Reson. 4 1993 1 64
128. 23Na NMR spectroscopy of solids: interpretation of quadrupole interaction parameters and chemical shifts J. Phys. Chem. 98 1994 1544 1551
129. D. Padro, V. Jennings, M.E. Smith, R. Hoppe, P.A. Thomas, and R. Dupree Variations of titanium interactions in solid state NMR-correlations to local structure J. Phys. Chem. B 106 2002 13176 13185
130. J.F. Stebbins Cation sites in mixed-alkali oxide glasses: correlations of NMR chemical shift data with site size and bond distance Solid State Ionics 112 1998 137 141
131. A. Rawal, B.J. Smith, G.L. Athens, C.L. Edwards, L. Roberts, V. Gupta, and B.F. Chmelka Molecular silicate and aluminate species in anhydrous and hydrated cements J. Am. Chem. Soc. 132 2010 7321 7337
132. 29Si solid-state NMR characterization of calcium-aluminosilicate-hydrate Inorg. Chem. 51 2012 1827 1836
133. 17O solid state NMR (MAS and MQ-MAS) of aluminum bearing phases, Nuclear Magnetic Resonance Spectroscopy of Cement-Based Materials, Bergamo, Italy, June, 1996 (1998) 89-105.
134. A.R. Grimmer, H. Zanni, P. Sozzani, Nuclear Magnetic Resonance Spectroscopy of Cement-Based Materials, P. Colombet (Ed.), Springer, Berlin, 1998.
135. 13C NMR study of the chemical interaction between poly(ethylene-vinyl acetate) and white cement during hydration Solid State Nucl. Magn. Reson. 40 2011 78 83
136. J.-P. Amoureux, and J. Trebosc Resolution enhancement in 1D solid-state NMR spectra of spin-9/2 quadrupolar nuclei J. Magn. Reson. 180 2006 311 316
137. 23Na solid state NMR data and their implications for water dissolution mechanisms Geochim. Cosmochim. Acta 62 1998 79 87
138. K.J.D. MacKenzie, N. Rahner, M.E. Smith, and A. Wong Calcium-containing inorganic polymers as potential bioactive materials J. Mater. Sci. 45 2010 999 1007
139. K.J.D. MacKenzie, M.E. Smith, A. Wong, J.V. Hanna, B. Barry, and M.W. Barsoum Were the casing stones of Senefru's bent pyramid in Dahshour cast or carved? Mater. Lett. 65 2011 350 352
140. 2 gel-glasses J. Mater. Sci.: Mater. Med. 22 2011 2685 2691
141. P.C. Wilkins, and R.G. Wilkins Inorganic Chemistry in Biology 1997 Oxford University Press New York
142. 43Ca NMR and computational molecular dynamics investigation Chem. Mater. 24 2012 1828 1836
143. D. Laurencin, N. Almora-Barrios, N.H. de Leeuw, C. Gervais, C. Bonhomme, F. Mauri, W. Chrzanowski, J.C. Knowles, R.J. Newport, A. Wong, Z. Gan, and M.E. Smith Magnesium incorporation into hydroxyapatite Biomaterials 32 2011 1826 1837
144. D.W. Murphy, S. Sunshine, R.B. Van Dover, R.J. Cava, B. Batlogg, S.M. Zahurak, and L.F. Schneemeyer New superconducting cuprate perovskites Phys. Rev. Lett. 58 1987 1888 1890
145. y) superconductor Jap. J. Appl. Phys., Part 2: Lett. 28 1989 L576 L579
146. y C. R. Acad. Sci., Ser. IIc: Chim. 4 2001 819 824
147. M. Kouzu, and J.-S. Hidaka Transesterification of vegetable oil into biodiesel catalyzed by CaO: a review Fuel 93 2012 1 12
148. M. Gruselle, T. Kanger, R. Thouvenot, A. Flambard, K. Kriis, V. Mikli, R. Traksmaa, B. Maaten, and K. Tonsuaadu Calcium hydroxyapatites as efficient catalysts for the Michael C-C bond formation ACS Catal. 1 2011 1729 1733
149. S. Diallo-Garcia, D. Laurencin, J.-M. Krafft, S. Casale, M.E. Smith, H. Lauron-Pernot, and G. Costentin Influence of magnesium substitution on the basic properties of hydroxyapatites J. Phys. Chem. C 115 2011 24317 24327
150. H. Pizzala, S. Caldarelli, J.-G. Eon, A.M. Rossi, D. Laurencin, and M.E. Smith A solid-state NMR study of lead and vanadium substitution into hydroxyapatite J. Am. Chem. Soc. 131 2009 5145 5152
151. J. Reichert, and J.G.P. Binner An evaluation of hydroxyapatite-based filters for removal of heavy metal ions from aqueous solutions J. Mater. Sci. 31 1996 1231 1241
152. 2+ Solid State Nucl. Magn. Reson. 16 2000 171 175