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Publications in 2007

A Al-27, Si-29, Mg-25 and O-17 NMR investigation of alumina and silica Zener pinned, sol-gel prepared nanocrystalline ZrO2 and MgO
L. A. O'Dell, S. L. P. Savin, A. V. Chadwick and M. E. Smith
Faraday Discussions, 134, 83-102 (2007)
DOI: 10.1039/b601928e

Structure of molecular tweezer complexes in the solid state: NMR experiments, X-ray investigations, and quantum chemical calculations
T. Schaller, U. P. Buchele, F. G. Klarner, D. Blaser, R. Boese, S. P. Brown, H. W. Spiess, F. Koziol, J. Kussmann and C. Ochsenfeld
J. Am. Chem. Soc., 129, 1293-1303 (2007)
DOI: 10.1021/ja0666351

A solid-state O-17 NMR study of local order and crystallinity in amine-templated mesoporous Nb oxide
B. O. Skadtchenko, Y. X. Rao, T. F. Kemp, P. Bhattacharya, P. A. Thomas, M. Trudeau, M. E. Smith and D. M. Antonelli
Angew. Chem.-Int. Edit., 46, 2635-2638 (2007)
DOI: 10.1002/anie.200604602

Boron-10 NMR: what extra information can it give about borate glasses?
D. Holland, S. A. Feller, T. F. Kemp, M. E. Smith, A. P. Howes, D. Winslow and M. Kodama
Phys. Chem. Glasses-Eur. J. Glass Sci. Technol. B, 48, 1-8 (2007)

Micro structure development and properties of novel Ba-doped S-phase Sialon ceramics (vol 26, pg 3919, 2006)
B. Basu, M. H. Lewis, M. E. Smith, M. Bunyard and T. Kemp
J. European Ceram. Soc., 27, 445-445 (2007)
DOI: 10.1016/j.jeurceramsoc.2006.10.001

A 27Al MAS NMR study of a sol-gel produced alumina: Identification of the NMR parameters of the Θ-Al2O3 transition alumina phase
L. A. O'Dell, S. L. P. Savin, A. V. Chadwick and M. E. Smith
Solid State Nucl. Magn. Reson., 31, 169-173 (2007)
DOI: 10.1016/j.ssnmr.2007.05.002

Quantifying hydrogen-bonding strength: the measurement of 2hJNN couplings in self-assembled guanosines by solid-state 15N spin-echo MAS NMR
T. N. Pham, J. M. Griffin, S. Masiero, S. Lena, G. Gottarelli, P. Hodgkinson, C. Filip and S. P. Brown
Phys. Chem. Chem. Phys., 9, 3416-3423 (2007)
DOI: 10.1039/b703513f

Synthesis and structural characterization of P2O5-CaO-Na2O sol-gel materials
D. Carta, J. C. Knowles, M. E. Smith and R. J. Newport
J. Non-Cryst. Solids, 353, 1141-1149 (2007)
DOI: 10.1016/j.jnoncrysol.2006.12.093

Characterisation of nanocrystalline magnesium oxide by X-ray absorption spectroscopy
S. L. P. Savin, A. V. Chadwick, L. A. O'Dell and M. E. Smith
ChemPhysChem, 8, 882-889 (2007)
DOI: 10.1002/cphc.200600750

The refocused INADEQUATE MAS NMR experiment in multiple spin-systems: Interpreting observed correlation peaks and optimising lineshapes
S. Cadars, J. Sein, L. Duma, A. Lesage, T. N. Pham, J. H. Baltisberger, S. P. Brown and L. Emsley
J. Magn. Reson., 188, 24-34 (2007)
DOI: 10.1016/j.jmr.2007.05.016

Copper(I) O,O′-dialkyldithiophosphate clusters: EXAFS, NMR and X-ray diffraction studies
D. Rusanova, K. E. Christensen, I. Persson, K. J. Pike, O. N. Antzutkin, X. Zou, R. Dupree and W. Forsling
J. Coord. Chem., 60, 517-525 (2007)
DOI: 10.1080/00958970600842856

Determination of NMR interaction parameters from double rotation NMR
I. Hung, A. Wong, A. P. Howes, T. Anupold, J. Past, A. Samoson, X. Mo, G. Wu, M. E. Smith, S. P. Brown and R. Dupree
J. Magn. Reson., 188, 246-259 (2007)
DOI: 10.1016/j.jmr.2007.07.009

A first-principles computational 17O NMR investigation of metal ion-oxygen interactions in carboxylate oxygens of alkali oxalates
A. Wong, G. Thurgood, R. Dupree and M. E. Smith
Chem. Phys., 337, 144-150 (2007)
DOI: 10.1016/j.chemphys.2007.07.007

Disproportionation of Qm (0 ≤ m ≤ 4) species in partially devitrified Li2Si2O5 glasses with small amounts of P2O5
M. Mortuza, M. Ahsan, R. Dupree and D. Holland
J. Mater. Sci., 42, 7950-7955 (2007)
DOI: 10.1007/s10853-006-1398-4

The effect of oxide additions on medium-range order structures in borosilicate glasses
B. G. Parkinson, D. Holland, M. E. Smith, A. P. Howes and C. R. Scales
J. Phys.-Condes. Matter, 19, (2007)
DOI: 10.1088/0953-8984/19/41/415114

The structure of phosphate glass biomaterials from neutron diffraction and P-31 nuclear magnetic resonance data
D. M. Pickup, I. Ahmed, P. Guerry, J. C. Knowles, M. E. Smith and R. J. Newport
J. Phys.-Condes. Matter, 19, (2007)
DOI: 10.1088/0953-8984/19/41/415116

The structure and properties of silver-doped phosphate-based glasses
I. Ahmed, E. A. Abou Neel, S. P. Valappil, S. N. Nazhat, D. M. Pickup, D. Carta, D. L. Carroll, R. J. Newport, M. E. Smith and J. C. Knowles
J. Mater. Sci., 42, 9827-9835 (2007)
DOI: 10.1007/s10853-007-2008-9

Distinguishing Anhydrous and Hydrous Forms of an Active Pharmaceutical Ingredient in a Tablet Formulation Using Solid-State NMR Spectroscopy
J. M. Griffin, D. R. Martin and S. P. Brown
Angew. Chem.-Int. Edit., 46, 8036-8038 (2007)
DOI: 10.1002/anie.200702582

Residual Dipolar Couplings by Off-Magic-Angle Spinning in Solid-State Nuclear Magnetic Resonance Spectroscopy
G. Pileio, Y. Guo, T. N. Pham, J. M. Griffin, M. H. Levitt and S. P. Brown
J. Am. Chem. Soc., 129, 10972-10973 (2007)
DOI: 10.1021/ja0721115

Probing proton-proton proximities in the solid state
S. P. Brown
Prog. Nucl. Magn. Reson. Spectrosc., 50, 199-251 (2007)
DOI: 10.1016/j.pnmrs.2006.10.002

Low-load rotor-synchronised Hahn-echo pulse train (RS-HEPT) 1H decoupling in solid-state NMR: factors affecting MAS spin-echo dephasing times
J. M. Griffin, C. Tripon, A. Samoson, C. Filip and S. P. Brown
Magn. Reson. Chem., 45, S198-S208 (2007)
DOI: 10.1002/mrc.2145

The determination of 17O NMR parameters of hydroxyl oxygen: A combined deuteration and DOR approach
A. Wong, I. Hung, A. P. Howes, T. Anupõld, J. Past, A. Samoson, S. P. Brown, M. E. Smith and R. Dupree
Magn. Reson. Chem., 45, S68-S72 (2007)
DOI: 10.1002/mrc.2088

Structural Characterization of SiO2 and Al2O3 Zener-Pinned Nanocrystalline TiO2 by NMR, XRD and Electron Microscopy
L. A. O'Dell, S. L. P. Savin, A. V. Chadwick and M. E. Smith
J. Phys. Chem. C, 111, 13740-13746 (2007)
DOI: 10.1021/jp0739871

Multinuclear MAS NMR investigation of sol-gel and ball-milled nanocrystalline Ga2O3
L. A. O'Dell, S. L. P. Savin, A. V. Chadwick and M. E. Smith
Appl. Magn. Reson., 32, 527-546 (2007)
DOI: 10.1007/s00723-007-0036-x

Crystalline aluminium borates with the mullite structure: A B-11 and Al-27 solid-state NMR study
K. J. D. MacKenzie, M. E. Smith, T. F. Kemp and D. Voll
Appl. Magn. Reson., 32, 647-662 (2007)
DOI: 10.1007/s00723-007-0044-x

Si-29, Al-27, H-1 and Na-23 MAS NMR study of the bonding character in aluminosilicate inorganic polymers
M. R. Rowles, J. V. Hanna, K. J. Pike, M. E. Smith and B. H. O'Connor
Appl. Magn. Reson., 32, 663-689 (2007)
DOI: 10.1007/s00723-007-0043-y

A multiple-field Na-23 NMR study of sodium species in porous carbons
J. C. C. Freitas, M. A. Schettino, F. G. Emmerich, A. Wong and M. E. Smith
Solid State Nucl. Magn. Reson., 32, 109-117 (2007)
DOI: 10.1016/j.ssnmr.2007.10.002

Effect of silver content on the structure and antibacterial activity of silver-doped phosphate-based glasses
S. P. Valappil, D. M. Pickup, D. L. Carroll, C. K. Hope, J. Pratten, R. J. Newport, M. E. Smith, M. Wilson and J. C. Knowles
Antimicrob. Agents Chemother., 51, 4453-4461 (2007)
DOI: 10.1128/aac.00605-07

A multinuclear MAS NMR study of calcium-containing aluminosilicate inorganic polymers
K. J. D. MacKenzie, M. E. Smith and A. Wong
J. Mater. Chem., 17, 5090-5096 (2007)
DOI: 10.1039/b712922j

Characterization of metallurgical-grade aluminas and their precursors by (27)AI NMR and XRD1
L. M. Perander, Z. D. Zujovic, T. Groutso, M. M. Hyland, M. E. Smith, L. A. O'Dell and J. B. Metson
Can. J. Chem.-Rev. Can. Chim., 85, 889-897 (2007)
DOI: 10.1139/v07-106

New sol-gel synthesis of a (CaO)(0.3)( Na2O)(0.2)(P2O5)(0.5) bioresorbable glass and its structural characterisation
D. M. Pickup, P. Guerry, R. M. Moss, J. C. Knowles, M. E. Smith and R. J. Newport
J. Mater. Chem., 17, 4777-4784 (2007)
DOI: 10.1039/b709955j

Effect of minor additions on structure and volatilization loss in simulated nuclear borosilicate glasses
B. G. Parkinson, D. Holland, M. E. Smith, A. P. Howes and C. R. Scales
J. Non-Cryst. Solids, 353, 4076-4083 (2007)
DOI: 10.1016/j.jnoncrysol.2007.06.016

In situ high-energy X-ray diffraction study of a bioactive calcium silicate foam immersed in simulated body fluid
V. FitzGerald, K. O. Drake, J. R. Jones, M. E. Smith, V. Honkimaki, T. Buslaps, M. Kretzschmer and R. J. Newport
Journal of Synchrotron Radiation, 14, 492-499 (2007)
DOI: 10.1107/s0909049507042173