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Research

Professor Mark Smith

Visiting Professor, Professor of Solid State NMR

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  1. 2023
  2. Published

    Recent progress in solid-state NMR of spin-½ low-γ nuclei applied to inorganic materials

    Smith, M. E., 7/01/2023, In: Physical Chemistry Chemical Physics. 25, 1, p. 26-47 22 p.

    Research output: Contribution to Journal/Magazine › Review article › peer-review

  3. 2021
  4. Published

    Mapping of N−C Bond Formation from a Series of Crystalline Peri‐Substituted Naphthalenes by Charge Density and Solid‐State NMR Methodologies

    Rees, G. J., Pitak, M. B., Lari, A., Day, S. P., Yates, J. R., Gierth, P., Barnsley, K., Smith, M. E., Coles, S. J., Hanna, J. V. & Wallis, J. D., 25/10/2021, In: Angewandte Chemie International Edition. 60, 44, p. 23878-23884 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  5. Published

    Mapping of N−C Bond Formation from a Series of Crystalline Peri‐Substituted Naphthalenes by Charge Density and Solid‐State NMR Methodologies

    Rees, G. J., Pitak, M. B., Lari, A., Day, S. P., Yates, J. R., Gierth, P., Barnsley, K., Smith, M. E., Coles, S. J., Hanna, J. V. & Wallis, J. D., 25/10/2021, In: Angewandte Chemie. 133, 44, p. 24071-24077 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  6. 2020
  7. Published

    Improved Understanding of Atomic Ordering in Y4SixAl2- xO9- xNxMaterials Using a Combined Solid-State NMR and Computational Approach

    Seymour, V. R., Griffin, J. M., Griffith, B. E., Page, S. J., Iuga, D., Hanna, J. V. & Smith, M. E., 29/10/2020, In: The Journal of Physical Chemistry C. 124, 43, p. 23976-23987 12 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  8. Published

    Direct 17O Isotopic Labeling of Oxides Using Mechanochemistry

    Chen, C-H., Gaillard, E., Mentink-Vigier, F., Chen, K., Gan, Z., Gaveau, P., Rebière, B., Berthelot, R., Florian, P., Bonhomme, C., Smith, M. E., Métro, T-X., Alonso, B. & Laurencin, D., 21/09/2020, In: Inorganic Chemistry. 59, 18, p. 13050-13066 17 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  9. Published

    A soft-chemistry approach to the synthesis of amorphous calcium ortho/pyrophosphate biomaterials of tunable composition

    Mayen, L., Jensen, N. D., Laurencin, D., Marsan, O., Bonhomme, C., Gervais, C., Smith, M. E., Coelho, C., Laurent, G., Trebosc, J., Gan, Z., Chen, K., Rey, C., Combes, C. & Soulié, J., 28/02/2020, In: Acta Biomaterialia. 103, p. 333-345 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  10. 2019
  11. Published

    Distinguishing between Structural Models of β′-Sialons Using a Combined Solid-State NMR, Powder XRD, and Computational Approach

    Seymour, V. R. & Smith, M. E., 14/11/2019, In: Journal of Physical Chemistry A. 123, 45, p. 9729-9736 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  12. 2018
  13. Published

    Direct solid state NMR observation of the 105Pd nucleus in inorganic compounds and palladium metal systems

    Hooper, T. J. N., Partridge, T. A., Rees, G. J., Keeble, D. S., Powell, N. A., Smith, M. E., Mikheenko, I. P., Macaskie, L. E., Bishop, P. T. & Hanna, J. V., 7/11/2018, In: Physical Chemistry Chemical Physics. 20, 41, p. 26734-26743 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  14. Published

    Pushing the limits of sensitivity and resolution for natural abundance 43Ca NMR using ultra-high magnetic field (35.2 T)

    Bonhomme, C., Wang, X., Hung, I., Gan, Z., Gervais, C., Sassoye, C., Rimsza, J., Du, J., Smith, M. E., Hanna, J. V., Sarda, S., Gras, P., Combes, C. & Laurencin, D., 7/09/2018, In: Chemical Communications. 54, 69, p. 9591-9594 4 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  15. Published

    A Combined Mg-25 Solid-State NMR and Ab Initio DFT Approach to Probe the Local Structural Differences in Magnesium Acetate Phases Mg(CH3COO)(2)center dot nH(2)O (n=0,1,4)

    Seymour, V. R., Day, S. P., Scholz, G., Scheurell, K., Iuga, D., Griffin, J. M., Kemnitz, E., Hanna, J. V. & Smith, M. E., 17/07/2018, In: ChemPhysChem. 19, 14, p. 1722-1732 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  16. Published

    Atomic-scale structure of gel materials by solid-state NMR

    Smith, M. E. & Holland, D., 2018, Handbook of Sol-Gel Science and Technology: Processing, Characterization and Applications. Klein, L., Aparicio, M. & Jitianu, A. (eds.). Cham: Springer International Publishing AG, p. 1281-1322 42 p.

    Research output: Contribution in Book/Report/Proceedings - With ISBN/ISSN › Chapter

  17. 2017
  18. Published

    Strong-coupling induced damping of spin-echo modulations in magic-angle-spinning NMR: implications for J coupling measurements in disordered solids

    Guerry, P., Brown, S. P. & Smith, M. E., 10/2017, In: Journal of Magnetic Resonance. 283, p. 22-32 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  19. 2016
  20. Published

    87Sr, 119Sn, 127I Single and {1H/19F}-Double Resonance Solid-State NMR Experiments: Application to Inorganic Materials and Nanobuilding Blocks

    Laurencin, D., Ribot, F., Gervais, C., Wright, A. J., Baker, A. R., Campayo, L., Hanna, J. V., Iuga, D., Smith, M. E., Nedelec, J-M., Renaudin, G. & Bonhomme, C., 16/09/2016, In: ChemistrySelect. 1, 15, p. 4509-4519 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  21. Published

    Multinuclear solid-state NMR investigation of Hexaniobate and Hexatantalate compounds

    Deblonde, G. J-P., Coelho-Diogo, C., Chagnes, A., Cote, G., Smith, M. E., Hanna, J. V., Iuga, D. & Bonhomme, C., 20/06/2016, In: Inorganic Chemistry. 55, 12, p. 5946-5956 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  22. Published

    Bioactive sol-gel glasses at the atomic scale: the complementary use of advanced probe and computer modeling methods

    Christie, J. K., Cormack, A. N., Hanna, J. V., Martin, R. A., Newport, R. J., Pickup, D. M. & Smith, M. E., 06/2016, In: International Journal of Applied Glass Science. 7, 2, p. 147-153 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  23. Published

    Coordination networks based on boronate and benzoxaborolate ligands

    Sene, S., Pizzocaro, M. A., Vezzani, J., Reinholdt, M., Gaveau, P., Berthomieu, D., Bégu, S., Gervais, C., Bonhomme, C., Renaudin, G., Mesbah, A., Lee, A. V. D. & Smith, M. E., 2/05/2016, In: Crystals. 6, 5, 13 p., 48.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  24. Published

    Improving the sensitivity of J coupling measurements in solids with application to disordered materials

    Guerry, P., Brown, S. P. & Smith, M. E., 05/2016, In: AIP Advances. 6, 5, 8 p., 055008.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  25. Published

    From crystalline to amorphous calcium pyrophosphates: a solid state Nuclear Magnetic Resonance perspective

    Gras, P., Baker, A., Combes, C., Rey, C., Sarda, S., Wright, A. J., Smith, M. E., Hanna, J. V., Gervais, C., Laurencin, D. & Bonhomme, C., 02/2016, In: Acta Biomaterialia. 31, p. 348-357 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  26. Published

    Low-temperature synthesis and electrochemical properties of mesoporous titanium oxysulfides

    Smith, L. A. C., Trudeau, M. L., Provencher, M., Smith, M. E. & Antonelli, D. M., 02/2016, In: ChemElectroChem. 3, 2, p. 256-265 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  27. 2015
  28. Published

    Synthesis and Solid-State NMR Studies of Proton-Conducting Mesoporous Niobium Oxide Polymer Composites with Nafion-Like Thermal Durability

    Turley, J. P., Romer, F., Trudeau, M. L., Smith, M. E., Hanna, J. V. & Antonelli, D. M., 10/2015, In: ChemNanoMat. 1, 6, p. 430-437 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  29. Published

    UV-Initiated Synthesis of Electroactive High Surface Area Ta and Ti Mesoporous Oxides Composites with Polypyrrole Nanowires within the Pores

    Smith, L. A. C., Romer, F., Trudeau, M. L., Smith, M. E., Hanna, J. V. & Antonelli, D. M., 08/2015, In: ChemNanoMat. 1, 4, p. 276-284 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  30. Published

    Coordination polymers based on alkylboronate ligands: synthesis, characterization, and computational modelling

    Berthomieu, D., Gervais, C., Renaudin, G., Reinholdt, M., Sene, S., Smith, M. E., Bonhomme, C. & Laurencin, D., 03/2015, In: European Journal of Inorganic Chemistry. 2015, 7, p. 1182-1191 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  31. Published

    Intercalation of benzoxaborolate anions in layered double hydroxides: toward hybrid formulations for benzoxaborole drugs

    Sene, S., Bégu, S., Gervais, C., Renaudin, G., Mesbah, A., Smith, M. E., Mutin, P. H., Van Der Lee, A., Nedelec, J., Bonhomme, C. & Laurencin, D., 24/02/2015, In: Chemistry of Materials. 27, 4, p. 1242-1254 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  32. Published

    A multinuclear solid state NMR spectroscopic study of the structural evolution of disordered calcium silicate sol–gel biomaterials

    Lin, Z., Jones, J. R., Hanna, J. V. & Smith, M. E., 28/01/2015, In: Physical Chemistry Chemical Physics. 17, 4, p. 2540-2549 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  33. Published

    Proton conductivity of naphthalene sulfonate formaldehyde resin-doped mesoporous niobium and tantalum oxide composites

    Turley, J. P., Romer, F., Trudeau, M. L., Dias, M. L., Smith, M. E., Hanna, J. V. & Antonelli, D. M., 01/2015, In: ChemSusChem. 8, 2, p. 301-309 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  34. 2014
  35. Published

    Effect of synthesis parameters on the electrochemical properties of high-surface-area mesoporous titanium oxide with polypyrrole nanowires in the pores

    Smith, L. A. C., Romer, F., Trudeau, M. L., Smith, M. E., Hanna, J. V. & Antonelli, D. M., 11/12/2014, In: ChemElectroChem. 1, 12, p. 2153-2162 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  36. Published

    Synthesis and electrochemical properties of mesoporous titanium oxide with polythiophene nanowires in the pores

    Smith, L. A. C., Romer, F., Trudeau, M. L., Souto Maior, R. M., Smith, M. E., Hanna, J. V. & Antonelli, D. M., 08/2014, In: Microporous and Mesoporous Materials. 194, p. 52-59 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  37. Published

    Poly(γ-glutamic acid)/silica hybrids with calcium incorporated in the silica network by use of a calcium alkoxide precursor

    Poologasundarampillai, G., Yu, B., Tsigkou, O., Wang, D., Romer, F., Bhakhri, V., Giuliani, F., Stevens, M. M., Mcphail, D. S., Smith, M. E., Hanna, J. V. & Jones, J. R., 23/06/2014, In: Chemistry - A European Journal. 20, 26, p. 8149-8160 12 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  38. Published

    Variable temperature proton conductivity of mesoporous titanium oxides doped with naphthalene sulfonate formaldehyde resin

    Turley, J. P., Romer, F., Trudeau, M. L., Dias, M. L., Smith, M. E., Hanna, J. V. & Antonelli, D. M., 15/05/2014, In: Microporous and Mesoporous Materials. 190, p. 284-291 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  39. Published

    Chemical characterisation and fabrication of chitosan–silica hybrid scaffolds with 3-glycidoxypropyl trimethoxysilane

    Connell, L. S., Romer, F., Suárez, M., Valliant, E. M., Zhang, Z., Lee, P. D., Smith, M. E., Hanna, J. V. & Jones, J. R., 14/02/2014, In: Journal of Materials Chemistry B. 2, 6, p. 668-680 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  40. Published

    Silica–gelatin hybrids for tissue regeneration: inter-relationships between the process variables

    Mahony, O., Yue, S., Turdean-ionescu, C., Hanna, J. V., Smith, M. E., Lee, P. D. & Jones, J. R., 02/2014, In: Journal of Sol-Gel Science and Technology. 69, 2, p. 288-298 11 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  41. 2013
  42. Published

    A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates

    Rees, G. J., Day, S. P., Lari, A., Howes, A. P., Iuga, D., Pitak, M. B., Coles, S. J., Threlfall, T. L., Light, M. E., Smith, M. E., Quigley, D., Wallis, J. D. & Hanna, J. V., 21/11/2013, In: CrystEngComm. 15, 43, p. 8823-8839 17 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  43. Published

    Structural study of calcium phosphonates: a combined synchrotron powder diffraction, solid-state NMR and first-principle calculations approach

    Sene, S., Bouchevreau, B., Martineau, C., Gervais, C., Bonhomme, C., Gaveau, P., Mauri, F., Bégu, S., Mutin, P. H., Smith, M. E. & Laurencin, D., 21/11/2013, In: CrystEngComm. 15, 43, p. 8763-8775 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  44. Published

    Whewellite, CaC2O4⋅H2O: structural study by a combined NMR, crystallography and modelling approach

    Colas, H., Bonhomme-coury, L., Diogo, C. C., Tielens, F., Babonneau, F., Gervais, C., Bazin, D., Laurencin, D., Smith, M. E., Hanna, J. V., Daudon, M. & Bonhomme, C., 21/11/2013, In: CrystEngComm. 15, 43, p. 8840-8847 8 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  45. Published

    Characterisation of platinum-based fuel cell catalyst materials using 195Pt wideline solid state NMR

    Rees, G. J., Orr, S. T., Barrett, L. O., Fisher, J. M., Houghton, J., Spikes, G. H., Theobald, B. R. C., Thompsett, D., Smith, M. E. & Hanna, J. V., 28/10/2013, In: Physical Chemistry Chemical Physics. 15, 40, p. 17195-17207 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  46. Published

    Bioactivity in silica/poly(γ-glutamic acid) sol–gel hybrids through calcium chelation

    Valliant, E. M., Romer, F., Wang, D., Mcphail, D. S., Smith, M. E., Hanna, J. V. & Jones, J. R., 1/08/2013, In: Acta Biomaterialia. 9, 8, p. 7662-7671 10 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  47. Published

    DTA/TG, XRD and 27 Al MAS NMR of yttrium aluminium garnet, Y 3 Al 5 O 12 by sol-gel synthesis

    Azis, R. S., Holland, D., Smith, M., Howes, A. P., Zakaria, A., Hassan, J., Saiden, N. M. & Ikhwan, M. K., 07/2013, In: Journal of the Australian Ceramics Society. 49, 2, p. 74-80 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  48. Published

    Magnesium analogues of aluminosilicate inorganic polymers (geopolymers) from magnesium minerals

    Mackenzie, K. J. D., Bradley, S., Hanna, J. V. & Smith, M. E., 1/02/2013, In: Journal of Materials Science. 48, 4, p. 1787-1793 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  49. Published

    Boronate ligands in materials: determining their local environment by using a combination of IR/solid-state NMR spectroscopies and DFT calculations

    Sene, S., Reinholdt, M., Renaudin, G., Berthomieu, D., Zicovich-wilson, C. M., Gervais, C., Gaveau, P., Bonhomme, C., Filinchuk, Y., Smith, M. E., Nedelec, J., Bégu, S., Mutin, P. H. & Laurencin, D., 14/01/2013, In: Chemistry - A European Journal. 19, 3, p. 880-891 12 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  50. Published

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

    Laurencin, D. & Smith, M. E., 01/2013, In: Progress in Nuclear Magnetic Resonance Spectroscopy. 68, p. 1-40 40 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  51. 2012
  52. Published

    Effect of calcium source on structure and properties of sol–gel derived bioactive glasses

    Yu, B., Turdean-ionescu, C. A., Martin, R. A., Newport, R. J., Hanna, J. V., Smith, M. E. & Jones, J. R., 18/12/2012, In: Langmuir. 28, 50, p. 17465-17476 12 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  53. Published

    Structural characterization of titanium-doped Bioglass using isotopic substitution neutron diffraction

    Martin, R. A., Moss, R. M., Lakhkar, N. J., Knowles, J. C., Cuello, G. J., Smith, M. E., Hanna, J. V. & Newport, R. J., 31/10/2012, In: Physical Chemistry Chemical Physics. 14, 45, p. 15807-15815 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  54. Published

    An examination of the calcium and strontium site distribution in bioactive glasses through isomorphic neutron diffraction, X-ray diffraction, EXAFS and multinuclear solid state NMR

    Martin, R. A., Twyman, H. L., Rees, G. J., Barney, E. R., Moss, R. M., Smith, J. M., Hill, R. G., Cibin, G., Charpentier, T., Smith, M. E., Hanna, J. V. & Newport, R. J., 2/10/2012, In: Journal of Materials Chemistry. 22, 41, p. 22212-22223 12 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  55. Published

    Structure and properties of barium and calcium borosilicate glasses

    Feller, S., Mullenbach, T., Franke, M., Bista, S., O'Donovan-Zavada, A., Hopkins, K., Starkenberg, D., McCoy, J., Leipply, D., Stansberry, J., Troendle, E., Affatigato, M., Holland, D., Smith, M. E., Kroeker, S., Michaelis, V. K. & Wren, J. E. C., 10/2012, In: Physics and Chemistry of Glasses - European Journal of Glass Science and Technology Part B. 53, 5, p. 210-218 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  56. Published

    Models for incomplete nucleophilic attack on a protonated carbonyl group and electron-deficient alkenes: salts and zwitterions from 1-dimethylamino-naphthalene-8-carbaldehyde

    Lari, A., Pitak, M. B., Coles, S. J., Rees, G. J., Day, S. P., Smith, M. E., Hanna, J. V. & Wallis, J. D., 12/09/2012, In: Organic and Biomolecular Chemistry . 10, 38, p. 7763-7779 17 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  57. Published

    The dissolution mechanism of sulphur in hydrous silicate melts. I: assessment of analytical techniques in determining the sulphur speciation in iron-free to iron-poor glasses

    Klimm, K., Kohn, S. C., O'Dell, L. A., Botcharnikov, R. E. & Smith, M. E., 5/09/2012, In: Chemical Geology. 322-323, p. 237-249 13 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  58. Published

    A structural investigation of the alkali metal site distribution within bioactive glass using neutron diffraction and multinuclear solid state NMR

    Martin, R. A., Twyman, H. L., Rees, G. J., Smith, J. M., Barney, E. R., Smith, M. E., Hanna, J. V. & Newport, R. J., 15/08/2012, In: Physical Chemistry Chemical Physics. 14, 35, p. 12105-12113 9 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  59. Published

    Sr Solid-State NMR as a Structurally Sensitive Tool for the Investigation of Materials: Antiosteoporotic Pharmaceuticals and Bioactive Glasses

    Bonhomme, C., Gervais, C., Folliet, N., Pourpoint, F., Coelho Diogo, C., Lao, J., Jallot, E., Lacroix, J., Nedelec, J-M., Iuga, D., Hanna, J. V., Smith, M. E., Xiang, Y., Du, J. & Laurencin, D., 1/08/2012, In: Journal of the American Chemical Society. 134, 30, p. 12611-12628 18 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  60. Published

    Examining correlations between composition, structure and properties in zircon-containing raw glazes

    Atkinson, I., Smith, M. E. & Zaharescu, M., 04/2012, In: Ceramics International. 38, 3, p. 1827-1833 7 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

  61. Published

    Characterizing the hierarchical structures of bioactive sol–gel silicate glass and hybrid scaffolds for bone regeneration

    Martin, R. A., Yue, S., Hanna, J. V., Lee, P. D., Newport, R. J., Smith, M. E. & Jones, J. R., 20/02/2012, In: Philosophical Transactions of the Royal Society A: Mathematical, Physical & Engineering Sciences. 370, 1963, p. 1422-1443 22 p.

    Research output: Contribution to Journal/Magazine › Journal article › peer-review

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