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Publications in 2018

Hemocyanin facilitates lignocellulose digestion by wood-boring marine crustaceans
K. Besser, G. P. Malyon, W. S. Eborall, G. P. da Cunha, A. Dowle, L. C. Garcia, S. J. Page, R. Dupree, M. Kern, L. D. Gomez, Y. Li, L. Elias, F. Sabbadin, S. E. Mohamad, G. Pesante, E. R. de Azevedo, I. Polikarpov, P. Dupree, S. M. Cragg, N. C. Bruce, S. J. McQueen-Mason Nature Comm. 9:5125 (2018) DOI: 10.1038/s41467-018-07575-2

Direct solid state NMR observation of the 105Pd nucleus in inorganic compounds and palladium metal systems | T. J. N. Hooper, T. A. Partridge, G. J. Rees, D. S. Keeble, N. A. Powell, M. E. Smith, I. P. Mikheenko, L. E. Macaskie, P. T. Bishop, J. V. Hanna, Physical Chemistry Chemical Physics (2018), 20, 26734-26743 | DOI:10.1039/C8CP02594K
An NMR crystallography investigation of furosemide | M. Zilka, J. R. Yates, S. P. Brown, Magnetic Resonance in Chemistry. (2018), 0, 1–9 | DOI:10.1002/mrc.4789
Structural investigations of perlite and expanded perlite using 1H, 27Al and 29Si solid-state NMR | Z. Zujovic, W. V. K. Wheelwright, P. A. Kilmartin, J. V. Hanna, R. P. Cooney, Ceramics International (2018), 44, 2952-2958 | DOI:10.1039/C8CC05193C
Improving Confidence in Crystal Structure Solutions Using NMR Crystallography: The Case of β-Piroxicam | A. S. Tatton, H. Blade, S. P. Brown, P. Hodgkinson, L. P. Hughes, S. O. N. Lill, J. R. Yates, Crystal Growth & Design. (2018) 18, 3339-3351 | DOI:10.1021/acs.cgd.8b00022
Pushing the limits of sensitivity and resolution for natural abundance 43Ca NMR using ultra-high magnetic field (35.2 T) | C. Bonhomme, X. Wang, I. Hung, Z. Gan, C. Gervais, C. Sassoye, J. Rimsza, J. Du, M. E. Smith, J. V. Hanna, S. Sarda, P. Gras, C. Combes, D. Laurencin, Chemical Communications (2018), 54, 9591-9594 | DOI:10.1016/j.ceramint.2017.11.047
A Combined 25Mg Solid-State NMR and Ab Initio DFT Approach to Probe the Local Structural Differences in Magnesium Acetate Phases Mg(CH3COO)2 ⋅ nH2O (n=0, 1, 4) | V. R. Seymour, S. P. Day, G. Scholz, K. Scheurell, D. Iuga, J. M. Griffin, E. Kemnitz, J. V. Hanna, M. E. Smith, ChemPhysChem (2018), 19, 1722-1732 | DOI:10.1002/cphc.201800317
A Tautoleptic Approach to Chiral Hydrogen-Bonded Supramolecular Tubular Polymers with Large Cavity | A. Neniškis, D. Račkauskaitė, Q. Shi, A. J. Robertson, A. Marsh, A. Ulčinas, R. Valiokas, S. P. Brown, K. Wärnmark, E. Orentas, Chemistry – A European Journal. (2018) 24, 14028-14033. | DOI:10.1002/chem.201803701
Advanced solid-state NMR methods for characterising structure and self-assembly in supramolecular chemistry, polymers and hydrogels | S. P. Brown, Current Opinion in Colloid & Interface Science. (2018), 33, 86-98 | DOI:10.1016/j.cocis.2018.02.005
The use of variable temperature 13C solid-state MAS NMR and GIPAW DFT calculations to explore the dynamics of diethylcarbamazine citrate | T. Venâncio, L. M. Oliveira, T. Pawlak, J. Ellena, N. Boechat, S. P. Brown, Magnetic Resonance in Chemistry, Magnetic Resonance in Chemistry. (2018), 0, 1–11 | DOI:10.1002/mrc.4790
Mechanism of intersubunit ketosynthase–dehydratase interaction in polyketide synthases | M. Jenner, S. Kosol, D. Griffiths, P. Prasongpholchai, L. Manzi, A.S. Barrow, J. E. Moses, N. J. Oldham, J. R. Lewandowski, G. L. Challis | Nat. Chem. Biol. (2018), 14, 270-275. | DOI:10.1038/nchembio.2549
1H Line Width Dependence on MAS Speed in Solid State NMR - Comparison of Experiment and Simulation | U. Sternberg, R. Witter, I. Kuprov, J.M. Lamley, A. Oss, J.R. Lewandowski and A. Samoson | J. Magn. Reson. (2018), 291, 32-39. | DOI://10.1016/j.jmr.2018.04.003
Preservation of Nuclear Spin Order by Precipitation | J. Eills, J. Alonso-Valdesueiro, D. E. Salazar Marcano, J. Ferreira da Silva, S. Alom, G. J. Rees, J. V. Hanna, M. Carravetta, M. H. Levitt, ChemPhysChem (2018), 19 | DOI:10.1002/cphc.201701189

Structural studies suggest aggregation as one of the modes of action for teixobactin | C. Öster, G. P. Walkowiak, D. E. Hughes, A. L. Spoering, A. J. Peoples, A. C. Catherwood, J. A. Tod, A. J. Lloyd, T. Herrmann, K. Lewis, C. G. Dowson, Józef R. Lewandowski | Chem. Sci. (2018) | DOI://10.1039/C8SC03655A
Protein Dynamics from Multi-Field Variable Temperature NMR Relaxation and MD Simulation | B. Busi, J. R. Yarava, A. Hofstetter, N. Salvi, D. Cala-De Paepe, J. R. Lewandowski, M. Blackledge, and L. Emsley | J. Phys. Chem. B (2018) | DOI://10.1021/acs.jpcb.8b08578
Protein–protein interactions in trans-AT polyketide synthases | S. Kosol, M. Jenner, J. R. Lewandowski, G. L. Challis | Nat. Prod. Rep. (2018) | DOI://10.1039/C8NP00066B