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Research

Professor Mark Smith

Visiting Professor, Professor of Solid State NMR

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  1. Published

    (33)S MAS NMR of a disordered sulfur-doped silicate: signal enhancement via RAPT, QCPMG and adiabatic pulses

    O'Dell, L. A., Klimm, K., Freitas, J. C. C., Kohn, S. C. & Smith, M. E., 1/02/2009, In: Applied Magnetic Resonance. 35, 2, p. 247-259 13 p.

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

  2. Published

    (59)Co NMR study of the allotropic phase transformation in small ferromagnetic cobalt particles

    Speight, R. J., Wong, A., Ellis, P., Bishop, P. T., Hyde, T. I., Bastow, T. J. & Smith, M. E., 1/02/2009, In: Physical review B. 79, 5, 8 p., 054102.

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

  3. Published

    17O and 15N Solid State NMR Studies on Ligand-Assisted Templating and Oxygen Coordination in the Walls of Mesoporous Nb, Ta and Ti Oxides

    Rao, Y., Kemp, T. F., Trudeau, M., Smith, M. E. & Antonelli, D. M., 19/11/2008, In: Journal of the American Chemical Society. 130, 46, p. 15726-15731 6 p.

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

  4. Published

    1H and 13C solution- and solid-state NMR investigation into wax products from the Fischer-Tropsch process

    Speight, R. J., Rourke, J. P., Wong, A., Barrow, N. S., Ellis, P. R., Bishop, P. T. & Smith, M. E., 2011, In: Solid State Nuclear Magnetic Resonance. 39, 3-4, p. 58-64 7 p.

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

  5. 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

  6. Published

    A 93Nb Solid-State NMR and Density Functional Theory Study of Four- and Six-Coordinate Niobate Systems

    Hanna, J. V., Pike, K. J., Charpentier, T., Kemp, T. F., Smith, M. E., Lucier, B. E. G., Schurko, R. W. & Cahill, L. S., 8/03/2010, In: Chemistry - A European Journal. 16, 10, p. 3222-3239 18 p.

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

  7. Published

    A Al-27 MAS NMR study of a sol-gel produced alumina: Identification of the NMR parameters of the theta-Al2O3 transition alumina phase

    O'Dell, L. A., Savin, S. L. P., Chadwick, A. V. & Smith, M. E., 1/07/2007, In: Solid State Nuclear Magnetic Resonance. 31, 4, p. 169-173 5 p.

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

  8. Published

    A Co-59 NMR study to observe the effects of ball milling on small ferromagnetic cobalt particles

    Speight, R. J., Wong, A., Ellis, P., Hyde, T., Bishop, P. T. & Smith, M. E., 1/04/2009, In: Solid State Nuclear Magnetic Resonance. 35, 2, p. 67-73 7 p.

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

  9. 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

  10. Published

    A comparative study of the structure of sodium borophosphates made by sol–gel and melt-quench methods

    Qiu, D., Martin, R. A., Knowles, J. C., Smith, M. E. & Newport, R. J., 15/03/2010, In: Journal of Non-Crystalline Solids. 356, 9-10, p. 490-494 5 p.

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

  11. Published

    A first-principles computational O-17 NMR investigation of metal ion-oxygen interactions in carboxylate oxygens of alkali oxalates

    Wong, A., Thurgood, G., Dupree, R. & Smith, M. E., 1/08/2007, In: Chemical Physics Letters. 337, 1-3, p. 144-150 7 p.

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

  12. Published

    A high-energy X-ray diffraction, P-31 and B-11 solid-state NMR study of the structure of aged sodium borophosphate glasses

    Qiu, D., Guerry, P., Ahmed, I., Pickup, D. M., Carta, D., Knowles, J. C., Smith, M. E. & Newport, R. J., 1/10/2008, In: Materials Chemistry and Physics. 111, 2-3, p. 455-462 8 p.

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

  13. Published

    A high-resolution Ca-43 solid-state NMR study of the calcium sites of hydroxyapatite

    Laurencin, D., Wong, A., Hanna, J. V., Dupree, R. & Smith, M. E., 1/02/2008, In: Journal of the American Chemical Society. 130, 8, p. 2412-2413 2 p.

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

  14. Published

    A High-Resolution NMR Study of the La-Si-Al-O-N System

    Dupree, R., Lewis, M. H. & Smith, M. E., 1989, In: Journal of the American Chemical Society. 111, 14, p. 5125-5132 8 p.

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

  15. 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

  16. 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

  17. Published

    A multiple-field Na-23 NMR study of sodium species in porous carbons

    Freitas, J. C. C., Schettino, M. A., Emmerich, F. G., Wong, A. & Smith, M. E., 1/12/2007, In: Solid State Nuclear Magnetic Resonance. 32, 4, p. 109-117 9 p.

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

  18. Published

    A multispectroscopic structural study of lead silicate glasses over an extended range of compositions

    Feller, S., Lodden, G., Riley, A., Edwards, T., Croskrey, J., Schue, A., Liss, D., Stentz, D., Blair, S., Kelley, M., Smith, G., Singleton, S., Affatigato, M., Holland, D., Smith, M. E., Kamitsos, E. I., Varsamis, C. P. E. & Ioannou, E., 1/03/2010, In: Journal of Non-Crystalline Solids. 356, 6-8, p. 304-313 10 p.

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

  19. Published

    A natural abundance Se-77 solid-state NMR study of inorganic compounds

    Kemp, T. F., Wong, A., Smith, M. E., Bishop, P. T. & Carthey, N., 1/11/2008, In: Solid State Nuclear Magnetic Resonance. 34, 4, p. 224-227 4 p.

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

  20. Published

    A potential novel rapid screening NMR approach to boundary film formation at solid interfaces in contact with ionic liquids

    Forsyth, M., Kemp, T. F., Howlett, P. C., Sun, J. & Smith, M. E., 1/09/2008, In: The Journal of Physical Chemistry C. 112, 36, p. 13801-13804 4 p.

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

  21. Published

    A Si-29 MAS NMR study of silicate glasses with a high lithium content

    Larson, C., Doerr, J., Affatigato, M., Feller, S., Holland, D. & Smith, M. E., 2006, In: Journal of Physics: Condensed Matter. 18, 49, p. 11323-11331 9 p.

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

  22. 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

  23. Published

    A solid-state NMR study of lead and vanadium substitution into hydroxyapatite

    Pizzala, H., Caldarelli, S., Eon, J-G., Rossi, A. M., Laurencin, D. & Smith, M. E., 1/04/2009, In: Journal of the American Chemical Society. 131, 14, p. 5145-5152 8 p.

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

  24. Published

    A spectrometer designed for 6.7 and 14.1 T DNP-enhanced solid-state MAS NMR using quasi-optical microwave transmission

    Pike, K. J., Kemp, T. F., Takahashi, H., Day, R., Howes, A. P., Kryukov, E. V., MacDonald, J. F., Collis, A. E. C., Bolton, D. R., Wylde, R. J., Orwick, M., Kosuga, K., Clark, A. J., Idehara, T., Watts, A., Smith, G. M., Newton, M. E., Dupree, R. & Smith, M. E., 02/2012, In: Journal of Magnetic Resonance. 215, p. 1-9 9 p.

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

  25. 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

  26. Published

    A variable temperature solid-state nuclear magnetic resonance, electron paramagnetic resonance and Raman scattering study of molecular dynamics in ferroelectric fluorides

    Kowalczyk, R. M., Kemp, T. F., Walker, D., Pike, K. J., Thomas, P. A., Kreisel, J., Dupree, R., Newton, M. E., Hanna, J. V. & Smith, M. E., 2011, In: Journal of Physics: Condensed Matter. 23, 31, p. Article 315402

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

  27. Published

    Advanced solid state NMR techniques for the investigation of the organic-mineral interfaces in biomaterials: 2009 MRS Fall Meeting

    Laurencin, D., Guerrero, G., Amalric, J., Bonhomme, C., Gervais, C., Smith, M. E. & Mutin, P. H., 2010, p. 40-45. 6 p.

    Research output: Contribution to conference - Without ISBN/ISSN › Conference paper › peer-review

  28. Published

    Al-27 double rotation two-dimensional spin diffusion NMR: Complete unambiguous assignment of aluminium sites in 9Al(2)O(3) center dot 2B(2)O(3)

    Hung, I., Howes, A. P., Anupõld, T., Samoson, A., Massiot, D., Smith, M. E., Brown, S. P. & Dupree, R., 2006, In: Chemical Physics Letters. 432, 1-3, p. 152-156 5 p.

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

  29. Published

    An ab initio quantum chemical investigation of Ca-43 NMR interaction parameters for the Ca2+ sites in organic complexes and in metalloproteins

    Wong, A., Laurencin, D., Wu, G., Dupree, R. & Smith, M. E., 1/10/2008, In: Journal of Physical Chemistry A. 112, 40, p. 9807-9813 7 p.

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

  30. 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

  31. Published

    Antimicrobial gallium-doped phosphate-based glasses

    Valappil, S. P., Ready, D., Neel, E. A. A., Pickup, D. M., Chrzanowski, W., O'Dell, L. A., Newport, R. J., Smith, M. E., Wilson, M. & Knowles, J. C., 1/03/2008, In: Advanced Functional Materials. 18, 5, p. 732-741 10 p.

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

  32. 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

  33. Published

    Bioactive glass scaffolds for bone regeneration and their hierarchical characterisation

    Jones, J. R., Lin, S., Yue, S., Lee, P. D., Hanna, J. V., Smith, M. E. & Newport, R. J., 12/2010, In: Proceedings of the Institution of Mechanical Engineers, Part H: Journal of Engineering in Medicine. 224, 12, p. 1373-1387 15 p.

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

  34. 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

  35. 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

  36. Published

    Biological materials

    Smith, M. E., 1/04/2008, In: Magnetic Resonance in Chemistry. 46, 4, p. 307 1 p.

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

  37. Published

    Boron environments in Pyrex? glass--a high resolution, double-rotation NMR and thermodynamic modelling study

    Howes, A. P., Vedishcheva, N. M., Samoson, A., Hanna, J. V., Holland, D., Dupree, R. & Smith, M., 2011, In: Physical Chemistry Chemical Physics. 13, 25, p. 11919-11928 10 p.

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

  38. Published

    Boron-10 NMR: What extra information can it give about borate glasses?

    Holland, D., Feller, S. A., Kemp, T. F., Smith, M. E., Howes, A. P., Winslow, D. & Kodama, M., 02/2007, In: Physics and Chemistry of Glasses - European Journal of Glass Science and Technology Part B. 48, 1, p. 1-8 8 p.

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

  39. 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

  40. Published

    Characterisation of nanocrystalline magnesium oxide by X-ray absorption spectroscopy

    Savin, S. L. P., Chadwick, A. V., O'Dell, L. A. & Smith, M. E., 1/04/2007, In: ChemPhysChem. 8, 6, p. 882-889 8 p.

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

  41. 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

  42. Published

    Characterisation of sol-gel prepared (HfO2)(x)(SiO2)(1-x) (x=0.1, 0.2 and 0.4) by H-1, C-13, O-17 and Si-29 MAS NMR, FTIR and TGA

    O'Dell, L. A., Gunawidjaja, P. N., Holland, M. A., Mountjoy, G., Pickup, D. M., Newport, R. J. & Smith, M. E., 1/01/2008, In: Solid State Nuclear Magnetic Resonance. 33, 1-2, p. 16-24 9 p.

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

  43. Published

    Characterisation of the inhomogeneity of sol–gel-derived SiO2–CaO bioactive glass and a strategy for its improvement

    Lin, S., Ionescu, C., Baker, S., Smith, M. E. & Jones, J. R., 02/2010, In: Journal of Sol-Gel Science and Technology. 53, 2, p. 255-262 8 p.

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

  44. Published

    Characterization of metallurgical-grade aluminas and their precursors by 27Al NMR and XRD

    Perander, L. M., Zujovic, Z. D., Groutso, T., Hyland, M. M., Smith, M. E., O'Dell, L. A. & Metson, J. B., 10/2007, In: Canadian Journal of Chemistry. 85, 10, p. 889-897 9 p.

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

  45. 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

  46. 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

  47. Published

    Comment on Nature of the conduction-band states in YBa2Cu3O7 as revealed by its yttrium Knight shift

    Dupree, R., Paul, D. M., Smith, M. E. & Balakrishnan, G., 08/1989, In: Physical review letters. 63, 6, p. 688 1 p.

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

  48. Published

    Comparison of phosphate-based glasses in the range 50P(2)O(5)-(50-x)CaO-xNa(2)O prepared using different precursors

    Ahmed, I., Parsons, A. J., Rudd, C. D., Nazhat, S. N., Knowles, J. C., Guerry, P. & Smith, M. E., 1/04/2008, In: Glass Technology-European Journal of Glass Science and Technology Part A. 49, 2, p. 63-72 10 p.

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

  49. Published

    Control of surface free energy in titanium doped phosphate based glasses by co-doping with zinc

    Neel, E. A. A., O'Dell, L. A., Chrzanowski, W., Smith, M. E. & Knowles, J. C., 05/2009, In: Journal of Biomedical Materials Research Part B: Applied Biomaterials. 89B, 2, p. 392-407 16 p.

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

  50. Published

    Controlled delivery of antimicrobial gallium ions from phosphate-based glasses

    Valappil, S. P., Ready, D., Neel, E. A. A., Pickup, D. M., O'Dell, L. A., Chrzanowski, W., Pratten, J., Newport, R. J., Smith, M. E., Wilson, M. & Knowles, J. C., 05/2009, In: Acta Biomaterialia. 5, 4, p. 1198-1210 13 p.

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

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