Publications in 2008
Formation of functional phosphosilicate gels from phytic acid and tetraethyl orthosilicate
D. Qiu, P. Guerry, J. C. Knowles, M. E. Smith and R. J. Newport
J. Sol-Gel Sci. Technol., 48, 378-383 (2008)
DOI:
Quantifying Weak Hydrogen Bonding in Uracil and 4-Cyano-4'-ethynylbiphenyl: A Combined Computational and Experimental Investigation of NMR Chemical Shifts in the Solid State
A. Uldry, J. M. Griffin, J. R. Yates, M. Perez-Torralba, M. D. SantaMaria, A. L. Webber, M. L. L. Beaumont, A. Samoson, R. M. Claramunt, C. J. Pickard and S. P. Brown
J. Am. Chem. Soc., 130, 945-954 (2008)
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Natural abundance 43Ca solid-state NMR characterisation of hydroxyapatite: identification of the two calcium sites
D. Laurencin, A. Wong, R. Dupree and M. E. Smith
Magn. Reson. Chem., 46, 347-350 (2008)
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A high-resolution Ca-43 solid-state NMR study of the calcium sites of hydroxyapatite
D. Laurencin, A. Wong, J. V. Hanna, R. Dupree and M. E. Smith
J. Am. Chem. Soc., 130, 2412-2413 (2008)
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Characterisation of sol-gel prepared (HfO2)x(SiO2)1-x (x=0.1, 0.2 and 0.4) by 1H, 13C, 17O and 29Si MAS NMR, FTIR and TGA
L. A. O'Dell, P. N. Gunawidjaja, M. A. Holland, G. Mountjoy, D. M. Pickup, R. J. Newport and M. E. Smith
Solid State Nucl. Magn. Reson., 33, 16-24 (2008)
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Quantification of crystalline phases and measurement of phosphate chain lengths in a mixed phase sample by 31P refocused INADEQUATE MAS NMR
L. A. O'Dell, P. Guerry, A. Wong, E. A. Abou Neel, T. N. Pham, J. C. Knowles, S. P. Brown and M. E. Smith
Chem. Phys. Lett., 455, 178-183 (2008)
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Density Functional Theory Calculations of Hydrogen-Bond-Mediated NMR J Coupling in the Solid State
S. Joyce, J. R. Yates, C. J. Pickard and S. P. Brown
J. Am. Chem. Soc., 130, 12663-12670 (2008)
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Solid-state O-17 NMR spectroscopy of a phospholemman transmembrane domain protein: Implications for the limits of detecting dilute 170 sites in biomaterials
A. Wong, A. J. Beevers, A. Kukol, R. Dupree and M. E. Smith
Solid State Nucl. Magn. Reson., 33, 72-75 (2008)
DOI:
The effect of composition on the structure of sodium borophosphate glasses
D. Carta, D. Qiu, P. Guerry, I. Ahmed, E. A. Abou Neel, J. C. Knowles, M. E. Smith and R. J. Newport
J. Non-Cryst. Solids, 354, 3671-3677 (2008)
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Quantitative measurement of Q(3) species in silicate and borosilicate glasses using Raman spectroscopy
B. G. Parkinson, D. Holland, M. E. Smith, C. Larson, J. Doerr, M. Affatigato, S. A. Feller, A. P. Howes and C. R. Scales
J. Non-Cryst. Solids, 354, 1936-1942 (2008)
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Insights into homonuclear decoupling from efficient numerical simulation: Techniques and examples
V. E. Zorin, M. Ernst, S. P. Brown and P. Hodgkinson
J. Magn. Reson., 192, 183-196 (2008)
DOI:
Comparison of phosphate-based glasses in the range 50P(2)O(5)-(50-x)CaO-xNa(2)O prepared using different precursors
I. Ahmed, A. J. Parsons, C. D. Rudd, S. N. Nazhat, J. C. Knowles, P. Guerry and M. E. Smith
Glass Technology-European Journal of Glass Science and Technology Part A, 49, 63-72 (2008)
Variable-temperature O-17 NMR study of oxygen motion in the anionic conductor Bi26Mo10O69
L. Holmes, L. M. Peng, I. Heinmaa, L. A. O'Dell, M. E. Smith, R. N. Vannier and C. P. Grey
Chem. Mat., 20, 3638-3648 (2008)
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Crystal structure of synthetic Al4B2O9: A member of the mullite family closely related to boralsilite
R. X. Fischer, V. Kahlenberg, D. Voll, K. J. D. MacKenzie, M. E. Smith, B. Schnetger, H. J. Brumsack and H. Schneider
Am. Miner., 93, 918-927 (2008)
DOI:
Estimation of internuclear couplings in the solid-state NMR of multiple-spin systems. Selective spin echoes and off-magic-angle sample spinning
G. Pileio, S. Mamone, G. Mollica, I. M. Montesinos, A. Gansmuller, M. Carravetta, S. P. Brown and M. H. Levitt
Chem. Phys. Lett., 456, 116-121 (2008)
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Structural and spectroscopic studies of some copper(I) halide tert-butyl isocyanide adducts
G. A. Bowmaker, J. V. Hanna, F. E. Hahn, A. S. Lipton, C. E. Oldham, B. W. Skelton, M. E. Smith and A. H. White
Dalton Transactions, 1710-1720 (2008)
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Biological materials
M. E. Smith
Magn. Reson. Chem., 46, 307-307 (2008)
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Structural characteristics of antibacterial bioresorbable phosphate glass
R. M. Moss, D. M. Pickup, I. Ahmed, J. C. Knowles, M. E. Smith and R. J. Newport
Adv. Funct. Mater., 18, 634-639 (2008)
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Antimicrobial gallium-doped phosphate-based glasses
S. P. Valappil, D. Ready, E. A. Abou Neel, D. M. Pickup, W. Chrzanowski, L. A. O'Dell, R. J. Newport, M. E. Smith, M. Wilson and J. C. Knowles
Adv. Funct. Mater., 18, 732-741 (2008)
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Structure and thermal properties of yttrium alumino-phosphate glasses
R. A. Martin, P. S. Salmon, D. L. Carroll, M. E. Smith and A. C. Hannon
J. Phys.-Condes. Matter, 20, (2008)
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Sol-gel preparation and high-energy XRD study of (CaO)(x)(TiO2)(0.5-x)(P2O5)(0.5) glasses (x=0 and 0.25)
D. M. Pickup, K. M. Wetherall, J. C. Knowles, M. E. Smith and R. J. Newport
Journal of Materials Science-Materials in Medicine, 19, 1661-1668 (2008)
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Processing, characterisation, and biocompatibility of zinc modified metaphosphate based glasses for biomedical applications
E. A. Abou Neel, L. A. O'Dell, M. E. Smith and J. C. Knowles
Journal of Materials Science-Materials in Medicine, 19, 1669-1679 (2008)
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POLY 627-New solid-state NMR methodology for probing structure-determining noncovalent interactions
S. P. Brown
Abstr. Pap. Am. Chem. Soc., 235, 627-POLY (2008)
TiK-edge XANES study of the local environment of titanium in bioresorbable TiO2-CaO-Na2O-P2O5 glasses
D. M. Pickup, E. A. Abou Neel, R. M. Moss, K. M. Wetherall, P. Guerry, M. E. Smith, J. C. Knowles and R. J. Newport
Journal of Materials Science-Materials in Medicine, 19, 1681-1685 (2008)
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Sol-gel synthesis and structural characterisation of binary TiO2-P2O5 glasses
D. M. Pickup, R. J. Speight, J. C. Knowles, M. E. Smith and R. J. Newport
Mater. Res. Bull., 43, 333-342 (2008)
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Direct NMR evidence for Ca2+ ion binding to G-quartets
I. C. M. Kwan, A. Wong, Y. M. She, M. E. Smith and G. Wu
Chem. Commun., 682-684 (2008)
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A natural abundance Se-77 solid-state NMR study of inorganic compounds
T. F. Kemp, A. Wong, M. E. Smith, P. T. Bishop and N. Carthey
Solid State Nucl. Magn. Reson., 34, 224-227 (2008)
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Water speciation in sodium silicate glasses based on NIR and NMR spectroscopy
S. Yamashita, H. Behrens, B. C. Schmidt and R. Dupree
Chem. Geol., 256, 231-241 (2008)
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Formation of functional phosphosilicate gels from phytic acid and tetraethyl orthosilicate
D. Qiu, P. Guerry, J. C. Knowles, M. E. Smith and R. J. Newport
J. Sol-Gel Sci. Technol., 48, 378-383 (2008)
DOI:
Effect of zwitterion on the lithium solid electrolyte interphase in ionic liquid electrolytes
N. Byrne, P. C. Howlett, D. R. MacFarlane, M. E. Smith, A. Howes, A. F. Hollenkamp, T. Bastowe, P. Hale and M. Forsyth
J. Power Sources, 184, 288-296 (2008)
DOI:
An ab initio quantum chemical investigation of Ca-43 NMR interaction parameters for the Ca2+ sites in organic complexes and in metalloproteins
A. Wong, D. Laurencin, G. Wu, R. Dupree and M. E. Smith
J. Phys. Chem. A, 112, 9807-9813 (2008)
DOI:
New perspectives on calcium environments in inorganic materials containing calcium-oxygen bonds: A combined computational-experimental Ca-43 NMR approach
C. Gervais, D. Laurencin, A. Wong, F. Pourpoint, J. Labram, B. Woodward, A. P. Howes, K. J. Pike, R. Dupree, F. Mauri, C. Bonhomme and M. E. Smith
Chem. Phys. Lett., 464, 42-48 (2008)
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A high-energy X-ray diffraction, P-31 and B-11 solid-state NMR study of the structure of aged sodium borophosphate glasses
D. Qiu, P. Guerry, I. Ahmed, D. M. Pickup, D. Carta, J. C. Knowles, M. E. Smith and R. J. Newport
Materials Chemistry and Physics, 111, 455-462 (2008)
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A potential novel rapid screening NMR approach to boundary film formation at solid interfaces in contact with ionic liquids
M. Forsyth, T. F. Kemp, P. C. Howlett, J. Sun and M. E. Smith
Journal of Physical Chemistry C, 112, 13801-13804 (2008)
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Structural characterisation of the silica and alumina Zener pinning phases in nanocrystalline CeO2 by Si-29 and Al-27 nuclear magnetic resonance
L. A. O'Dell, S. L. P. Savin, A. V. Chadwick and M. E. Smith
Journal of Nanoparticle Research, 10, 1263-1270 (2008)
DOI:
17O and 15N Solid State NMR Studies on Ligand-Assisted Templating and Oxygen Coordination in the Walls of Mesoporous Nb, Ta and Ti Oxides
Y. Rao, T. F. Kemp, M. Trudeau, M. E. Smith and D. M. Antonelli
J. Am. Chem. Soc., 130, 15726-15731 (2008)
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