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Publications in 2005

Structural studies of bioactive sol-gel phosphate based glasses
D. Carta, D. M. Pickup, R. J. Newport, J. C. Knowles, M. E. Smith and K. O. Drake
Phys. Chem. Glasses, 46, 365-371 (2005)

X-ray diffraction and solid state NMR studies of the growth of hydroxyapatite on bioactive calcia : silica sol-gel glasses
L. J. Skipper, F. E. Sowrey, R. Rashid, R. J. Newport, Z. Lin and M. E. Smith
Phys. Chem. Glasses, 46, 372-376 (2005)

The structure of TiO2-SiO2 and CaO-SiO2 sol-gel glasses from neutron diffraction and solid state NMR using isotopic enrichment of titanium, calcium and oxygen
D. M. Pickup, F. E. Sowrey, L. J. Skipper, R. J. Newport, P. Gunawidjaja, K. O. Drake, M. E. Smith, P. Saravanapavan and L. L. Hench
Phys. Chem. Glasses, 46, 433-438 (2005)

Multiple-magnetic field La-139 NMR and density functional theory investigation of the solid lanthanum(III) halides
K. J. Ooms, K. W. Feindel, M. J. Willans, R. E. Wasylishen, J. V. Hanna, K. J. Pike and M. E. Smith
Solid State Nucl. Magn. Reson., 28, 125-134 (2005)
DOI: 10.1016/j.ssnmr.2005.07.002

Study of the relationship between structure and O-17 electric field gradient parameters in some aluminosilicates
E. K. Yildirim and R. Dupree
Mod. Phys. Lett. B, 19, 1213-1221 (2005)

A multi-nuclear NMR study of the local structure of lead zirconate titanate, PbZr1-chi Ti chi O3
A. Baldwin, R. Dupree, P. A. Thomas and R. Dupree
J. Phys.-Condes. Matter, 17, 7159-7168 (2005)

Identification by N-15 refocused inadequate MAS NMR of intermolecular hydrogen bonding that directs the self-assembly of modified DNA bases
T. N. Pham, S. Masiero, G. Gottarello and S. P. Brown
J. Am. Chem. Soc., 127, 16018-16019 (2005)
DOI: 10.1021/ja056188+

Testing a potential mantle geohygrometer; the effect of dissolved water on the intracrystalline partitioning of Al in orthopyroxene
S. C. Kohn, B. M. Roome, M. E. Smith and A. P. Howes
Earth Planet. Sci. Lett., 238, 342-350 (2005)

Structural studies of silica- and alumina-pinned nanocrystalline SnO2
L. A. O'Dell, S. L. P. Savin, A. V. Chadwick and M. E. Smith
Nanotechnology, 16, 1836-1843 (2005)

AlO4/SiO4 distribution in tetrahedral double chains of mullite
M. Schmucker, H. Schneider, K. J. D. MacKenzie, M. E. Smith and D. L. Carroll
J. Am. Ceram. Soc., 88, 2935-2937 (2005)
DOI: 10.1111/j.1551-2916.2005.00500.x

The effect of Cs2O additions on HLW wasteform glasses
B. G. Parkinson, D. Holland, M. E. Smith, A. P. Howes and C. R. Scales
J. Non-Cryst. Solids, 351, 2425-2432 (2005)
DOI: 10.1016/j.jnoncrysol.2005.06.035

Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains
L. E. Jackson, B. M. Kariuki, M. E. Smith, J. E. Barralet and A. J. Wright
Chem. Mat., 17, 4642-4646 (2005)

Solid-state NMR characterisation of the thermal transformation of a Hungarian white illite
D. L. Carroll, T. F. Kemp, T. J. Bastow and M. E. Smith
Solid State Nucl. Magn. Reson.
, 28, 31-43 (2005)
DOI: 10.1016/j.ssnmr.2005.04.001

Combined first-principles computational and experimental multinuclear solid-state NMR investigation of amino acids
C. Gervais, R. Dupree, K. J. Pike, C. Bonhomme, M. Profeta, C. J. Pickard and F. Mauri
J. Phys. Chem. A, 109, 6960-6969 (2005)
DOI: 10.1021/jp0513925

An investigation of weak CH···O hydrogen bonds in maltose anomers by a combination of calculation and experimental solid-state NMR spectroscopy
J. R. Yates, T. N. Pham, C. J. Pickard, F. Mauri, A. M. Amado, A. M. Gil and S. P. Brown
J. Am. Chem. Soc., 127, 10216-10220 (2005)
DOI: 10.1021/ja051019a

Reply to "Comment on 'Localized behavior near the Zn impurity in YBa2Cu4O8 as measured by nuclear quadrupole resonance"'
G. V. M. Williams, S. Kramer, J. L. Tallon, R. Dupree and J. W. Loram
Phys. Rev. B, 71, (2005)

The structure of a bioactive calcia-silica sol-gel glass
L. J. Skipper, F. E. Sowrey, D. M. Pickup, K. O. Drake, M. E. Smith, P. Saravanapavan, L. L. Hench and R. J. Newport
J. Mater. Chem., 15, 2369-2374 (2005)

Through-space contributions to two-dimensional double-quantum J correlation NMR spectra of magic-angle-spinning solids
F. Fayon, D. Massiot, M. H. Levitt, J. J. Titman, D. H. Gregory, L. Duma, L. Emsley and S. P. Brown
J. Chem. Phys., 122, 194313 (2005)
DOI: 10.1063/1.1898219

Sol-gel synthesis of the P2O5-CaO-Na2O-SiO2 system as a novel bioresorbable glass
D. Carta, D. M. Pickup, J. C. Knowles, M. E. Smith and R. J. Newport
J. Mater. Chem., 15, 2134-2140 (2005)

Formation of Cu-6[S2P(OC2H5)2]6 on Cu2S surfaces from aqueous solutions of the KS2P(OC2H5)2 collector: Scanning electron microscopy and solid-state P-31 cross-polarization/magic angle spinning and static Cu-65 NMR studies
D. Rusanova, W. Forsling, O. N. Antzutkin, K. J. Pike and R. Dupree
Langmuir, 21, 4420-4424 (2005)
DOI: 10.1021/la047026e

The atomic-scale interaction of bioactive glasses with simulated body fluid
L. J. Skipper, F. E. Sowrey, D. M. Pickup, R. J. Newport, K. O. Drake, Z. H. Lin, M. E. Smith, P. Saravanapavan and L. L. Hench
Cross-Disciplinary Applied Research in Materials Science and Technology, 480-481, 21-25 (2005)

A Te-125 and Na-23 NMR investigation of the structure and crystallisation of sodium tellurite glasses
D. Holland, J. Bailey, G. Ward, B. Turner, P. Tierney and R. Dupree
Solid State Nucl. Magn. Reson., 27, 16-27 (2005)
DOI: 10.1016/j.ssnmr.2004.06.010

A multinuclear solid state NMR study of the sol-gel formation of amorphous Nb2O5-SiO2 materials
K. O. Drake, D. Carta, L. Skipper, F. E. Sowrey, R. J. Newport and M. E. Smith
Solid State Nucl. Magn. Reson., 27, 28-36 (2005)
DOI: 10.1016/j.ssnmr.2004.08.008