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Publications in 2011

Solution and mechanochemical syntheses, and spectroscopic and structural studies in the silver(I) (bi-)carbonate: triphenylphosphine system
Graham A. Bowmaker , Effendy , John V. Hanna , Peter C. Healy , Scott P. King , Claudio Pettinari , Brian W. Skelton and Allan H. White
Dalton trans. 40, 7210-7218 (2011)
DOI: 10.1039/c1dt10416k

Insight into the Local Magnetic Environments and Deuteron Mobility in Jarosite (AFe(3)(SO(4))(2)(OD,OD(2))(6), A = K, Na, D(3)O) and Hydronium Alunite ((D(3)O)Al(3)(SO(4))(2)(OD)(6)), from Variable-Temperature (2)H MAS NMR Spectroscopy
Ulla Gro Nielsen, Ivo Heinmaa, Ago Samoson, Juraj Majzlan, and Clare P. Grey
Chem. Mater. 23, 3176-3187 (2011)
DOI: 10.1021/cm2003929

Cation disorder in NaW(2)O(6+delta)center dot nH(2-z)O post-ion exchange with K, Rb, Sr, and Cs
Gordon J. Thorogood, Brendan J. Kennedy, Maxim Avdeev, Vanessa K. Peterson, John V. Hanna, Vittorio Luca
J. Phys. Chem. Solids 72, 692-700 (2011)
DOI: 10.1016/j.jpcs.2011.02.018

Interfacial Antiwear and Physicochemical Properties of Alkylborate-dithiophosphates
Faiz Ullah Shah, Sergei Glavatskih, Erik Höglun‡, Mats Lindber†, and Oleg N. Antzutkin
Appl. Mater. Interfaces 3, 956-968 (2011)
DOI: 10.1021/am101203t

Spin Diffusion Driven by R-Symmetry Sequences: Applications to Homonuclear Correlation Spectroscopy in MAS NMR of Biological and Organic Solids
Guangjin Hou, Si Yan, Shangjin Sun, Yun Han, In-Ja L. Byeon, Jinwoo Ahn, Jason Concel, Ago Samoson, Angela M. Gronenborn, and Tatyana Polenova
J. Am. Chem. Soc. 133, 3943-3953 (2011)
DOI: 10.1021/ja108650x

A pyridine adduct of bis(di-iso-butyldithiocarbamato-S,S ')cadmium(II): Multinuclear ((13)C, (15)N, (113)Cd) CP/MAS NMR spectroscopy, crystal and molecular structure, and thermal behaviour
Tatyana A. Rodina, Alexander V. Ivanov, Andrey V. Gerasimenko, Maxim A. Ivanov, Anna S. Zaeva, Tatyana S. Philippova, Oleg N. Antzutkin
Inor. Chim. Acta 368, 263-270 (2011)
DOI: 10.1016/j.ica.2011.01.006

Structural and spectroscopic characterization of silver(I) tribenzylphosphane complexes including chloro and bromo derivatives with unusual stoichiometries and an iodo complex with a Ag(13)I(13) cluster core
Eric W. Ainscough , Graham A. Bowmaker, Andrew M. Brodie, Graham H. Freeman, John V. Hanna, Geoffrey B. Jameson, Carl A. Otter
Polyhedron 30, 638-646 (2011)
DOI: 10.1016/j.poly.2010.11.031

Strategies for the Optimisation of the Oxide Ion Conductivities of Apatite-Type Germanates
A. Orera, T. Baikie, P. Panchmatia, T. J. White, J. Hanna, M. E. Smith, M. S. Islam, E. Kendrick, P. R. Slater
Fuel Cells 11, 10-16 (2011)
DOI: 10.1002/fuce.201000020

Enhanced stability and local structure in biologically relevant amorphous materials containing pyrophosphate
Colin Slater , Danielle Laurencin , Victoria Burnell , Mark E. Smith , Liam M. Grover , Joseph A. Hriljac and Adrian J. Wright
J. Mater. Chem. 21, 18783-18791 (2011)
DOI: 10.1039/c1jm13930d

Obtaining accurate chemical shifts for all magnetic nuclei ((1)H, (13)C, (17)O, and (27)Al) in tris(2,4-pentanedionato-O,O ')aluminium(III) - A solid-state NMR case study.
Alan Wong, Mark E. Smith, Victor Terskikh, Gang Wu
Can. J. Chemistry 89, 1087-1094 (2011)
DOI: 10.1139/V11-046

High-resolution solid state NMR experiments for the characterization of calcium phosphate biomaterials and biominerals
Frédérique Pourpoint, Cristina Coelho Diogo, Christel Gervais, Christian Bonhomme, Franck Fayon, Sara Laurencin Dalicieux, Isabelle Gennero, Jean-Pierre Salles, Andrew P. Howes, Ray Dupree, John V. Hanna, Mark E. Smith, Francesco Mauri, Gilles Guerrero, P. Hubert Mutin and Danielle Laurencin
J. Mater. Res. 26, 2355-2368 (2011)
DOI: 10.1557/jmr.2011.250

Crystalline O,O '-di-sec-butyl and O,O '-diethyl dithiophosphate platinum(II) complexes: Synthesis, (13)C and (31)P CP/MAS NMR, single crystal X-ray diffraction studies and thermal behaviour
Tatyana A. Rodina, Alexander V. Ivanov, Andrey V. Gerasimenko, Irina A. Lutsenko, Maxim A. Ivanov, John V. Hanna, Oleg N. Antzutkin, Valentin I. Sergienko
Polyhedron 30, 2210-2217 (2011)
DOI: 10.1016/j.poly.2011.05.050

Synthesis and Characterization of Crystalline Structures Based on Phenylboronate Ligands Bound to Alkaline Earth Cations
Marc Reinholdt, Jonas Croissant, Lidia Di Carlo, Dominique Granier, Philippe Gaveau, Sylvie Bég†, Jean-Marie Devoisselle, P. Hubert Mutin, Mark E. Smith, Christian Bonhomme, Christel Gervais, Arie van der Lee, and Danielle Laurencin
Inorg. Chem. 50, 7802-7810 (2011)
DOI: 10.1021/ic200961a

Structural Characterization and Redox Catalytic Properties of Cerium(IV) Pyrochlore Oxides
Helen Y. Playford, Deena R. Modeshia, Emma R. Barney, Alex C. Hannon, Christopher S. Wright, Janet M. Fisher, Alvaro Amieiro-Fonseca, David Thompsett, Luke A. O’Dell, Gregory J. Rees, Mark E. Smith, John V. Hanna, and Richard I. Walton
Chem. Mater. 23, 5464-5473 (2011)
DOI: 10.1021/cm202908s

Time-Resolved in Situ Synchrotron X-ray Diffraction Studies of Type 1 Silicon Clathrate Formation
Peter T. Hutchins, Olivier Leynaud, Luke A. O’Dell, Mark E. Smith, Paul Barnes, and Paul F. McMillan
Chem. Mater. 23, 5160-5167 (2011)
DOI: 10.1021/cm2018136

Spatial Structure of the Decapeptide Val-Ile-Lys-Lys-Ser-Thr-Ala-Leu-Leu-Gly in Water and in a Complex with Sodium Dodecyl Sulfate Micelles
D. S. Blokhin, S. V. Efimov, A. V. Klochkov, A. R. Yulmetov, A. V. Filippov, O. N. Antzutkin, A. V. Aganov and V. V. Klochkov
Appl. Magn. Reson. 41, 267-282 (2011)
DOI: 10.1007/s00723-011-0257-x

Sol-gel produced sodium calcium phosphosilicates for bioactive applications: ynthesis and structural characterisation
Daniela Carta, Robert J. Newport, Jonathan C. Knowles, Mark E. Smith, Paul Guerry
Mater. Chem. Phys. 130, 690-696 (2011)
DOI: 10.1016/j.matchemphys.2011.07.050

Insights into new calcium phosphosilicate xerogels using an advanced characterization methodology
A. Lia, D. Wang, J. Xiang, R.J. Newport, M.X. Reinholdt, P.H. Mutin, D. Vantelon, C. Bonhomme, M.E. Smith, D. Laurencin, D. Qiu
J Non-Cryst Solids, 357, 3548-3555
DOI: 10.1016/j.jnoncrysol.2011.07.003

Oxygen Defects and Novel Transport Mechanisms in Apatite Ionic Conductors: Combined 17O NMR and Modeling Studies
Dr. Pooja M. Panchmatia, Dr. Alodia Orera, Gregory J. Rees, Prof. Mark E. Smith, Dr. John V. Hanna, Dr. Peter R. Slater, Prof. M. Saiful Islam
Angew. Chem. Int. Ed. 50, 9328-9333 (2011)
DOI: 10.1002/anie.201102064

Identifying Guanosine Self Assembly at Natural Isotopic Abundance by High-Resolution 1H and 13C Solid-State NMR Spectroscopy.
Amy L. Webber, Stefano Masiero, Silvia Pieraccini, Jonathan C. Burley, Andrew S. Tatton, Dinu Iuga, Tran N. Pham, Gian Piero Spada, and Steven P. Brown.
J. Am. Chem. Soc. 133(49), 19777-19795 (2011)
DOI: 10.1021/ja206516u 

Double Rotation NMR
R. Dupree
Encyc. of Magn. Reson. (2011)
DOI: 10.1002/9780470034590.emrstm1203

Probing Intermolecular Crystal Packing in γ-Indomethacin by High-Resolution 1H Solid-State NMR Spectroscopy
Jonathan P. Bradley, Sitaram P. Velaga, Oleg N. Antzutkin and Steven P. Brown.
Cryst. Growth Des. 11, 3463–3471 (2011)
DOI: 10.1021/cg200277a

A variable temperature solid-state nuclear magnetic resonance, electron paramagnetic resonance and Raman scattering study of molecular dynamics in ferroelectric fluorides
R.M. Kowalczyk, T.F. Kemp, D. Walker, K.J. Pike, P.A. Thomas, J. Kreisel, R. Dupree, M.E. Newton, J.V. Hanna and M.E. Smith
J. Phys.: Condens. Matter, 23, 315402 (2011)
DOI: 10.1088/0953-8984/23/31/315402 

Boron environments in Pyrex (R) glass-a high resolution, Double-Rotation NMR and thermodynamic modelling study
A.P. Howes, N.M. Vedishcheva, A. Samoson, J.V. Hanna, M.E. Smith, D. Holland and R. Dupree
PCCP, 13, 11919-11928 (2011)
DOI: 10.1039/c1cp20771g

Determination of the temperature dependence of the dynamic nuclear polarisation enhancement of water protons at 3.4 Tesla
E.V. Kryukov, K.J. Pike, T.K.Y. Tam, M.E. Newton, M.E. Smith and R. Dupree
PCCP, 13, 4372-4380 (2011)
DOI: 10.1039/c0cp02188a

Ultra-high resolution (17)O solid-state NMR spectroscopy of biomolecules: A comprehensive spectral analysis of monosodium L-glutamate center dot monohydrate
A. Wong, A.P. Howes, J.R. Yates, A. Watts, T. Anupold, J. Past, A. Samoson, R. Dupree and M.E. Smith
PCCP, 13, 11213-12224 (2011)
DOI: 10.1039/c1cp20629j

1H and 13C solution- and solid-state NMR investigation into wax products from the Fischer–Tropsch process
R.J. Speight, J.P. Rourke, A. Wong, N.S. Barrow, P.R. Ellis, P.T. Bishop and M.E. Smith
Solid State Nucl. Magn. Reson., 39, 58-64 (2011)
DOI: 10.1016/j.ssnmr.2011.03.008

Magnesium incorporation into hydroxyapatite
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
Biomaterials, 32, 1826-1837 (2011)
DOI: 10.1016/j.biomaterials.2010.11.017

Were the casing stones of Senefru's Bent Pyramid in Dahshour cast or carved?: Multinuclear NMR evidence
K.J.D. MacKenzie, M.E. Smith, A. Wong, J.V. Hanna, B. Barry and M.W. Barsoum
Matter. Lett., 65, 350-352 (2011)
DOI: 10.1016/j.matlet.2010.10.035

Structural and spectroscopic characterization of silver(I) tribenzylphosphane complexes including chloro and bromo derivatives with unusual stoichiometries and an iodo complex with a Ag13I13 cluster core
E.W. Ainscough, G.A. Bowmaker, A.M. Brodiea, G.H. Freeman, J.V. Hanna, G.B. Jameson, and C.A. Otter
Polyhedon, 30, 638-646 (2011)
DOI: 10.1016/j.poly.2010.11.031

Novel bis(β-diketonato)diorganotin(IV) derivatives containing bulky 4-acyl-5-pyrazolonato ligands: Influence of the steric hindrance of the acyl moiety on the solid state structures of tin complexes and their behaviour in solution
F. Caruso, C. Di Nicola, J.V. Hanna, F. Marchetti, C. Pettinari, R. Pettinari, M. Rossie, G.J. Rees, B.W. Skelton and A.H. White
Inorg. Chim. Acta, 367, 73-84 (2011)
DOI: 10.1016/j.ica.2010.12.008

Towards homonuclear J solid-state NMR correlation experiments for half-integer quadrupolar nuclei: experimental and simulated 11B MAS spin-echo dephasing and calculated 2JBB coupling constants for lithium diborate
N.S. Barrow, J.R. Yates, S.A. Feller, D. Holland, S.E. Ashbrook, P. Hodgkinson and S.P. Brown
PCCP, 13, 5778-5789 (2011)
DOI: 10.1039/C0CP02343D

Longer-range distances by spinning-angle-encoding solid-state NMR spectroscopy
J. Becker-Baldus, T.F. Kemp, J. Past, A. Reinhold, A. Samoson and S.P. Brown
PCCP, 13, 4514-4518 (2011)
DOI: 10.1039/C0CP02364G