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Publications in 2017

Assessing the Detection Limit of a Minority Solid-State Form of a Pharmaceutical by 1H Double-Quantum Magic-Angle Spinning Nuclear Magnetic Resonance Spectroscopy | K. Maruyoshi, D. Iuga, A. E. Watts, C. E. Hughes, K. D. M. Harris, S. P. Brown, Journal of Pharmaceutical Sciences (2017), 106, 3372-3377 | DOI:10.1016/j.xphs.2017.07.014


Novel photoluminescent materials based on gallium silicate inorganic polymer hosts activated with Sm3+ or Eu3+ | J. J. Rogers, K. J. D. MacKenzie, W. J. Trompetter, G. Rees, J. V. Hanna, Journal of Non-Crystalline Solids (2017), 460, 98-105 | DOI:10.1016/j.jnoncrysol.2017.01.002


The influence of ZnO incorporation on the aqueous leaching characteristics of a borosilicate glass | E. R. Vance, D. J. Gregg, I. Karatchevtseva, G. J. Griffiths, K. Olufson, G. J. Rees, J. V. Hanna, Journal of Nuclear Materials (2017), 494, 37-45 | DOI:10.1016/j.jnucmat.2017.06.035


Probing intermolecular interactions in a diethylcarbamazine citrate salt by fast MAS 1H solid-state NMR spectroscopy and GIPAW calculations | T. Venâncio, L. M. Oliveira, J. Ellena, N. Boechat, S. P. Brown, Solid State Nuclear Magnetic Resonance (2017), 87, 73-79 | DOI:10.1016/j.ssnmr.2017.02.006


Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data | M. Zilka, D. V. Dudenko, C. E. Hughes, P. A. Williams, S. Sturniolo, W. T. Franks, C. J. Pickard, J. R. Yates, K. D. M. Harris, S. P. Brown, Physical Chemistry Chemical Physics (2017), 19, 25949-25960 | DOI:10.1039/C7CP04186A


Characterization of protein-protein interfaces in large complexes by solid state NMR solvent paramagnetic relaxation enhancements | C. Öster, S. Kosol, C. Hartlmüller, J.M. Lamley, D. Iuga, A. Oss, M.-L. Org, K. Vanatalu, A. Samoson, T. Madl, J.R. Lewandowski J. Am. Chem. Soc. (2017) 139 (35), 12165–12174 | DOI:10.1021/jacs.7b03875


Solid-state NMR provides evidence for small-amplitude slow domain motions in a multi-spanning transmembrane α-helical protein | Good D., Pham C., Jagas J., Lewandowski J.R. and Ladizhansky V. J. Am. Chem. Soc. (2017) 139 (27): 9246–9258 | DOI: 10.1021/jacs.7b03974


Co-existence of distinct supramolecular assemblies in solution and in the solid state | Reddy G. N. M., Huqi A., Iuga D., Sakurai S., Marsh A., Davis J.T ., Masiero S., Brown S. P. Chemistry – A European Journal, (2017) 23(10): 2315-2322 | DOI: 10.1002/chem.201604832


Rationalising Heteronuclear Decoupling in Refocussing Applications of Solid-State NMR Spectroscopy | Frantsuzov I., Vasa S. K., Ernst M., Brown S. P., Zorin V., Kentgens A. P. M., Hodgkinson P.
ChemPhysChem, (2017) 18 394-405 | DOI: 10.1002/cphc.201601003


Single-crystal X-ray diffraction and NMR crystallography of a 1:1 cocrystal of diathianon and pyrimethanil | Pöppler A.-C., Corlett E. K., Pearce H., Seymour M. P., Reid M., Montgomery M. G., Brown S. P. Acta Cryst, (2017) C73 149-156 | DOI: 10.1107/S2053229617000870


A combined NMR crystallographic and PXRD investigation of the structure-directing role of water molecules in orotic acid and its lithium and magnesium salts | Pöppler A.-C., Walker D., Brown S. P. CrystEngComm, (2017) 19: 224-236 | DOI: 10.1039/C6CE02101H


Substitution patterns of xylan are critical for its interaction with cellulose in plant cell walls. | Grantham N. J., Wurman-Rodrich J., Terrett O.M., Lyczakowski J.J., Stott K., Iuga D., Simmons T.J., Durand-Tardif M., Brown S.P., Dupree R., Busse-Wicher M., Dupree P.
Nature Plants (2017) 3, 859–865 | DOI: 10.1038/s41477-017-0030-8