XRDur - The Durham X-Ray Centre

Publications 2015

Tokoro, Hiroko, Yoshikiyo, Marie, Imoto, Kenta, Namai, Asuka, Nasu, Tomomichi, Nakagawa, Kosuke, Ozaki, Noriaki, Hakoe, Fumiyoshi, Tanaka, Kenji, Chiba, Kouji, Makiura, Rie, Prassides, Kosmas & Ohkoshi, Shin-ichi (2015). External stimulation-controllable heat-storage ceramics. Nature Communications 6: 7037.
Lee, Shu-Han, Lai, Yen-Chung, Du, Chao-Hung, Siegenfeld, Alexander F., Kao, Ying-Jer, Hatton, Peter D., Prabhakaran, D., Su, Yixi & Huang, Di-Jing (2015). Inverse order-disorder transition of charge stripes. Physical Review B 92(20): 205114.
Grøftehauge, Morten K., Hajizadeh, Nelly R., Swann, Marcus J. & Pohl, Ehmke (2015). Protein–ligand interactions investigated by thermal shift assays (TSA) and dual polarization interferometry (DPI). Acta Crystallographica Section D Biological Crystallography 71(1): 36-44.
M. Aydemir, G. Haykir, F. Turksoy, S. Gumus, F.B. Dias & A.P. Monkman (2015). Synthesis and investigation of intra-molecular charge transfer state properties of novel donor-acceptor-donor pyridine derivatives: the effects of temperature and environment on molecular configurations and the origin of delayed fluorescence. Physical Chemistry Chemical Physics 17(38): 25572-25582.
P. Data, R. Motyka, M. Lapkowski, J. Suwinski, S. Jursenas, G. Kreiza, A. Miasojedovas & A.P. Monkman (2015). Efficient p-phenylene based OLEDs with mixed interfacial exciplex emission. Electrochimica Acta 182: 524-528.
P. Data, R. Motyka, M. Lapkowski, J. Suwinski & A.P. Monkman (2015). Spectroelectrochemical Analysis of Charge Carriers as a Way of Improving Poly(p-phenylene)-Based Electrochromic Windows. Journal of Physical Chemistry C 119(34): 20188-20200.
P. Data, A. Swist, M. Lapkowski, J. Soloducho, K. Darowicki & A.P. Monkman (2015). Evidence for Solid State Electrochemical Degradation Within a Small Molecule OLED. Electrochimica Acta 184: 86-93.
V. Jankus, K. Abdullah, G.C. Griffiths, H. Al-Attar, Y.H. Zheng, M.R. Bryce & A.P. Monkman (2015). The role of exciplex states in phosphorescent OLEDs with poly(vinylcarbazole) ( PVK) host. Organic Electronics 20: 97-102.
Laba, Katarzyna, Data, Przemyslaw, Zassowski, Pawel, Pander, Piotr, Lapkowski, Mieczyslaw, Pluta, Krystian & Monkman, Andrew P. (2015). Diquinoline Derivatives as Materials for Potential Optoelectronic Applications. Journal of Physical Chemistry C 119(23): 13129-13137.
F.R.P. Limberg, A. Miasojedovas, P. Pingel, F. Reisbeck, S. Janietz, A.P. Monkman & H. Kruger (2015). Hole-transporting side-chain polystyrenes based on TCTA with tuned glass transition and optimized electronic properties. Rsc Advances 5(101): 83122-83128.
A. Monkman & R.H. Friend (2015). Organic semiconductor spintronics: utilizing triplet excitons in organic electronics. Philosophical Transactions of the Royal Society a-Mathematical Physical and Engineering Sciences 373(2044).
Guo, Yuzheng, Robertson, John & Clark, Stewart J. (2015). The effects of screening length in the non-local screened-exchange functional. Journal of Physics: Condensed Matter 27(2): 025501.
Pozina, G., Kaliteevski, M. A., Nikitina, E. V., Denisov, D. V., Polyakov, N. K., Pirogov, E. V., Goray, L. I., Gubaydullin, A. R., Ivanov, K. A., Kaliteevskaya, N. A., Egorov, A. Yu. & Clark, S. J. (2015). Super-radiant mode in InAs-monolayer-based Bragg structures. Scientific Reports 5: 14911.
Hu, D., Ainslie, M. D., Rush, J. P., Durrell1, J. H., Zou, J., Raine, M. J. & Hampshire, D. P. (2015). DC characterization and 3D modelling of a triangular, epoxy-impregnated high temperature superconducting coil. Superconductor Science and Technology 28(6): 065001.
Janganan, T.K., Chen, G., Chen, D., Menino, J.F., Rodrigues, F., Borges-Walmsley, M.I. & Walmsley, A.R. (2015). A Gβ protein and the TupA Co-Regulator Bind to Protein Kinase A Tpk2 to Act as Antagonistic Molecular Switches of Fungal Morphological Changes. PLoS ONE 10(9): e0136866.
Metz, Sebastian Anderson, Richard L. Geatches, Dawn L. Suter, James L., Lines, Robert & Greenwell, H. Christopher (2015). Understanding the Swelling Behavior of Modified Nanoclay Filler Particles in Water and Ethanol. The Journal of Physical Chemistry C 119(22): 12625-12642.
Raji, M., Gröcke, D.R., Greenwell, H.C., Gluyas, J.G. & Cornford, C. (2015). The effect of interbedding on shale reservoir properties. Marine and Petroleum Geology 67: 154-169.
Dračínský, M., Čechová, L., Hodgkinson, P., Procházková, E. & Janeba, Z. (2015). Resonance-assisted stabilisation of hydrogen bonds probed by NMR spectroscopy and path integral molecular dynamics. Chemical Communications 51(73): 13986-13989.
Tokaç, M., Wang, M., Jaiswal, S., Rushforth, A.W., Gallagher, B.L., Atkinson, D. & Hindmarch, A.T. (2015). Interfacial Contribution to Thickness Dependent in-plane Anisotropic Magnetoresistance. AIP Advances 5(12): 127108.
Hunt, Michael & Siller, Lidija (2015). An insidious and ubiquitous menace. Physics World 28(9): 40-41.
Ganguly, Arnab, Azzawi, Sinan, Saha, Susmita, King, J. A., Rowan-Robinson, R. M., Hindmarch, A. T., Sinha, Jaivardhan, Atkinson, Del & Barman, Anjan (2015). Tunable Magnetization Dynamics in Interfacially Modified Ni81Fe19/Pt Bilayer Thin Film Microstructures. Scientific Reports 5: 17596.
Berlie, A., Terry, I., Szablewski, M. & Giblin, S.R. (2015). Separating the ferromagnetic and glassy behavior within the metal-organic magnet Ni(TCNQ)2. Physical Review B 92(18): 184431.
Peach, M.J.G., Teale, A.M., Helgaker, T. & Tozer, D.J. (2015). Fractional electron loss in approximate DFT and Hartree-Fock theory. Journal of Chemical Theory and Computation 11(11): 5262-5268.
Palmer, S.E., Smaczynska-de Rooij, I.I., Marklew, C.J., Allwood, E.G., Mishra, R., Johnson, S., Goldberg, M.W. & Ayscough, K.R. (2015). A dynamin-actin interaction is required for vesicle scission during endocytosis in yeast. Current Biology 25(7): 868-878.
Palmer, S.E., Smaczynska-de Rooij, I.I., Marklew, C.J., Allwood, E.G., Mishra, R., Goldberg, M.W. & Ayscough, K.R. (2015). A Charge Swap mutation E461K in the yeast dynamin Vps1 reduces endocytic invagination. Communicative & Integrative Biology 8(4): e1051274.
Lancaster, T. & Pexton, M. (2015). Reduction and emergence in the fractional quantum Hall state. Studies in History and Philosophy of Science Part B: Studies in History and Philosophy of Modern Physics 52(Part B): 343-357.
Joubert, Fanny, Yeo, R. Paul, Sharples, Gary J., Musa, Osama M., Hodgson, David R. W. & Cameron, Neil R. (2015). Preparation of an antibacterial poly(ionic liquid) graft copolymer of hydroxyethyl cellulose. Biomacromolecules 16(12): 3970-3979.
Tanner, B. K., Garagorri, J., Gorostegui-Colinas, E., Elizalde, M. R., Bytheway, R., McNally, P. J. & Danilewsky, A. N. (2015). The Geometry of Catastrophic Fracture during High Temperature Processing of Silicon. International Journal of Fracture 195(1-2): 79-85.
Foronda, F. R., Ghannadzadeh, S., Sedlmaier, S. J., Wright, J. D., Burns, K., Cassidy, S. J., Goddard, P. A., Lancaster, T., Clarke, S. J. & Blundell, S. J. (2015). Robustness of superconductivity to structural disorder in Sr0.3(NH2)y(NH3)1−yFe2Se2. Physical Review B 92(13): 134517.
McGee, L.E., McLeod, C. & Davidson, J. (2015). A spectrum of disequilibrium melting preserved in lava-hosted, partially melted crustal xenoliths from the Wudalianchi volcanic field, NE China. Chemical Geology 417: 184-199.
Brambleby, J., Goddard, P. A., Johnson, R. D., Liu, J., Lancaster, T., Manuel, P., Baker, P. J., Singleton, J., Schwalbe, S. G., Spurgeon, P. M., Tran, H. E., Peterson, P. K., Corbey, J. F. & Manson, J. L. (2015). Magnetic ground state of the two isostructual polymeric quantum magnets [Cu(HF2)(pyrazine)2]SbF6 and [Co(HF2)(pyrazine)2]SbF6 investigated with neutron powder diffraction. Physical Review B 92(13): 134406.
Nunes, Sayonara Eliziario, Wang, Chun-Hai, So, Karwei, Evans, John S.O. & Evans, Ivana Radosavljević (2015). Bismuth zinc vanadate, BiZn2VO6: New crystal structure type and electronic structure. Journal of Solid State Chemistry 222: 12-17.
Peet, Joseph R. , Widdifield, Cory M., Apperley, David C., Hodgkinson, Paul, Johnson, Mark R. & Evans, Ivana Radosavljević (2015). Na+ mobility in sodium strontium silicate fast ion conductors. Chemical Communications 51(96): 17163-17165.
Clary, D.C., Knowles, P.J. & Tozer, D.J. (2015). Nicholas Charles Handy. 17 June 1941 - 2 October 2012. Biographical Memoirs of the Fellows of the Royal Society 61: 145-160.
Helgaker, T., Knowles, P.J., Lee, T.J., Rice, J.E. & Tozer, D.J. (2015). Foreword. Molecular Physics 113(13-14): 1509-1510.
Cheng, C.Y., Ryley, M.S., Peach, M.J.G., Tozer, D.J., Helgaker, T. & Teale, A.M. (2015). Molecular properties in the Tamm–Dancoff approximation: indirect nuclear spin–spin coupling constants. Molecular Physics 113(13-14): 1937-1951.
Mullins JT, Dierre F & Tanner BK (2015). X-ray Diffraction Imaging of ZnTe Crystals Grown by the Multi-Tube Physical Vapour Transport Technique. Journal of Crystal Growth 413: 61-66.
De Paola, N., Holdsworth, R. E., Viti, C., Collettini, C. & Bullock, R. (2015). Can grain size sensitive flow lubricate faults during the initial stages of earthquake propagation? Earth and Planetary Science Letters 431: 48-58.
Jones, S.J. (2015). Introducing Sedimentology. Dunedin Academic Press.
Liu, Hebin, Schneider, Helga, Recino, Asha, Richardson, Christine, Goldberg, Martin W. & Rudd, Christopher E. (2015). The Immune Adaptor SLP-76 Binds to SUMO-RANGAP1 at Nuclear Pore Complex Filaments to Regulate Nuclear Import of Transcription Factors in T Cells. Molecular Cell 59(5): 840-849.
Bērziņš, A. & Hodgkinson, P. (2015). Solid-state NMR and computational investigation of solvent molecule arrangement and dynamics in isostructural solvates of droperidol. Solid State Nuclear Magnetic Resonance 65: 12-20.
Grøftehauge, M.K., Truan, D., Vasil, A., Denny, P.W., Vasil, M.L. & Pohl, E. (2015). Crystal Structure of a Hidden Protein, YcaC, a Putative Cysteine Hydrolase from Pseudomonas aeruginosa, with and without an Acrylamide Adduct. International Journal of Molecular Sciences 16(7): 15971-15984.
Horwell, C.J., Baxter, P.J. & Kamanyire, R. (2015). Health Impacts of Volcanic Eruptions. In Global Volcanic Hazards and Risk. Loughlin, S.C., Vye-Brown, C., Sparks, R.S.J., Brown S.K. & Jenkins, S.F. Cambridge University Press.
Baxter, P.J. & Horwell, C.J. (2015). Impacts of eruptions on human health. In The Encyclopedia of Volcanoes. Sigurdsson, H., Houghton, B., McNutt, S., Rymer, H. & Stix, J. Elsevier.
Horwell, C.J., Damby, D.E. & Hillier, S. (2015). Respirable volcanic ash is distinct mineralogically, physicochemically and toxicologically from soils originating from weathered volcanic products. A comment on Cervini-Silva et al. (2014) “Lipid peroxidation and cytotoxicity induced by respirable volcanic ash”. Journal of Hazardous Materials 285: 366-367.
Wells, G. H., Hunt, M. R. C., Hopf, T, Vassilevski, K. V., Escobedo-Cousin, E., Horsfall, A. B., Goss, J. P. & O'Neill, A. (2015). Facile technique for the removal of metal contamination from graphene. Journal of Vacuum Science & Technology B, Nanotechnology and Microelectronics: Materials, Processing, Measurement, and Phenomena 33(5): 051802.
Hopf, T., Vassilevski, K., Escobedo-Cousin, E., King, P., Wright, N. G., O'Neill, A. G., Horsfall, A. B., Goss, J., Wells, G. & Hunt, M. (2015). Electrical characterization of epitaxial graphene field-effect transistors with high-k Al2O3 gate dieletric fabricated on SiC substrates. Materials Science Forum 821-823: 937-940.
Fenyk, Stepan, Townsend, Philip D., Dixon, Christopher H., Spies, Gerhard B., de San Eustaquio Campillo, Alba, Slootweg, Erik J., Westerhof, Lotte B., Gawehns, Fleur K.K., Knight, Marc R., Sharples, Gary J., Goverse, Aska, Pålsson, Lars-Olof, Takken, Frank L.W. & Cann, Martin J. (2015). The Potato Nucleotide-Binding Leucine-Rich Repeat (NLR) Immune Receptor Rx1 is a Pathogen Dependent DNA-Deforming Protein. Journal of Biological Chemistry 290(41): 24945-24960.
Bullock, R.J., De Paola, N. & Holdsworth, R.E. (2015). An experimental investigation into the role of phyllosilicate content on earthquake propagation during seismic slip in carbonate faults. Journal of Geophysical Research: Solid Earth 120(5): 3187-3207.
Cayuela, Angelina, Kennedy, Stuart R., Soriano, M. Laura, Valcárcel, Miguel & Steed, Jonathan W. (2015). Fluorescent carbon dot–molecular salt hydrogels. Chemical Science 6(11): 6139-6146.
Kerr, Hannah E., Softley, Lorna K., Kuthuru, Suresh, Nangia, Ashwini, Hodgkinson, Paul & Evans, Ivana Radosavljevic (2015). A furosemide – isonicotinamide cocrystal: An investigation of properties and extensive structural disorder. CrystEngComm 17(35): 6707-6715.
Tokaç, M., Bunyaev, S.A., Kakazei, G.N., Schmool, D.S., Atkinson, D. & Hindmarch, A.T. (2015). Interfacial Structure Dependent Spin Mixing Conductance in Cobalt Thin Films. Physical Review Letters 115(5): 056601.
Bezard, R, Turner, S, Davidson, JP, Macpherson, CG & Lindsay, JM (2015). Seeing through the Effects of Crustal Assimilation to Assess the Source Composition beneath the Southern Lesser Antilles Arc. Journal of Petrology 56(4): 815-844.
Lee, T. S., Jenkins, I., Surrey, E. & Hampshire, D. P. (2015). Optimal design of a toroidal field magnet system and cost of electricity implications for a tokamak using high temperature superconductors. Fusion Engineering and Design 98-99: 1072-1075.
Gledhill, Jonathan D. & Tozer, David J. (2015). System-dependent exchange-correlation functional with exact asymptotic potential and HOMO approx -I. The Journal of Chemical Physics 143(2): 024104.
Townsend, P.D., Rodgers, T.L., Glover, L.C., Korhonen, H.J., Richards, S.A., Colwell, L.J., Pohl, E., Wilson, M.R., Hodgson, D.R.W., McLeish, T.C.B. & Cann, M.J. (2015). The role of protein-ligand contacts in allosteric regulation of the Escherichia coli Catabolite Activator Protein. Journal of Biological Chemistry 290(36): 22225-22235.
Dempsey, Sarah J, Szablewski, Marek & Atkinson, Del (2015). Tactile sensing in human–computer interfaces: The inclusion of pressure sensitivity as a third dimension of user input. Sensors and Actuators A: Physical 232: 229-250.
Lancaster, T., Williams, R. C., Thomas, I. O., Xiao, F., Pratt, F. L., Blundell, S. J., Loudon, J. C., Hesjedal, T., Clark, S. J., Hatton, P. D., Ciomaga Hatnean, M., Keeble, D. S. & Balakrishnan, G. (2015). Transverse field muon-spin rotation signature of the skyrmion-lattice phase in Cu2OSeO3. Physical Review B 91(22): 224408.
Frantsuzov, Ilya, Ernst, Matthias, Brown, Steven P. & Hodgkinson, Paul (2015). Simulating spin dynamics in organic solids under heteronuclear decoupling. Solid State Nuclear Magnetic Resonance 70: 28-37.
Skotnicki, Marcin, Aguilar, Juan A., Pyda, Marek & Hodgkinson, Paul (2015). Bisoprolol and Bisoprolol-Valsartan Compatibility Studied by Differential Scanning Calorimetry, Nuclear Magnetic Resonance and X-Ray Powder Diffractometry. Pharmaceutical Research 32(2): 414-429.
Johnson, K.L., Purvis, G., Lopez-Capel, E., Peacock, C.L., Gray, N.D., Wagner, T., März,, C., Bowen, L., Ojeda, J., Finlay, N.C., Robertson, S.R., Worrall, F. & Greenwell, C. (2015). Towards a Mechanistic Understanding of Carbon Stabilization in Manganese Oxides. Nature Communications 6: 7628.
Chen, C., Nicholson, C. E., Ramsey, H. E. & Cooper, S. J. (2015). Nonclassical Crystallization of Dipicolinic Acid in Microemulsions. Crystal Growth & Design 15(3): 1060-1066.
Odiase, I, Nicholson, C E, Ahmad, R, Cooper, J, Yufit, D S & Cooper, S J (2015). Three cocrystals and a cocrystal salt of pyrimidin-2-amine and glutaric acid. Acta Crystallographica Section C Structural Chemistry 71(4): 276-283.
Xiao, F., Möller, J. S., Lancaster, T., Williams, R. C., Pratt, F. L., Blundell, S. J., Ceresoli, D., Barton, A. M. & Manson, J. L. (2015). Spin diffusion in the low-dimensional molecular quantum Heisenberg antiferromagnet Cu(pyz)(NO3)2 detected with implanted muons. Physical Review B 91(14): 144417.
Ali, N. Z., Williams, R. C., Xiao, F., Clark, S. J., Lancaster, T., Blundell, S. J., Sheptyakov, D. V. & Jansen, M. (2015). Magnetostructural relationship in the tetrahedral spin-chain oxide CsCoO2. Physical Review B 91(2): 024419.
Nattrass, C., Horwell, C.J., Damby, D.E., Kermanizadeh, A. Brown, D.M. & Stone, V. (2015). The global variability of diatomaceous earth toxicity: a physicochemical and in vitro investigation. Journal of Occupational Medicine and Toxicology 10: 23.
Underwood, Thomas, Erastova, Valentina, Cubillas, Pablo & Greenwell, H.C. (2015). Molecular Dynamic Simulations of Montmorillonite-Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery. The Journal of Physical Chemistry C 119(13): 7282-7294.
Bailiff, I.K., Gerrard, C.M., Gutiérrez, A., Snape-Kennedy, L.M. & Wilkinson, K. N. (2015). Luminescence dating of irrigation systems: Application to a qanat in Aragon, Spain. Quaternary Geochronology 30(B): 452-459.
Ridley, H.E., Asmerom, Y., Baldini, J.U.L., Breitenbach, S.F.M., Aquino, V.V., Prufer, K.M., Culleton, B.J., Polyak, V., Lechleitner, F.A., Kennett, D.J., Zhang, M., Marwan, N., Macpherson, C.G., Baldini, L.M., Xiao, T., Peterkin, J.L., Awe, J. & Haug, G.H. (2015). Aerosol forcing of the position of the intertropical convergence zone since AD1550. Nature Geoscience 8(3): 195-200.
Dračínský, Martin & Hodgkinson, Paul (2015). Solid-state NMR studies of nucleic acid components. RSC Advances 5(16): 12300-12310.
Steed, Kirsty M. & Steed, Jonathan W. (2015). Packing Problems: High Z′ Crystal Structures and their Relationship to Cocrystals, Inclusion Compounds and Polymorphism. Chemical Reviews 115(8): 2895-2933.
Quinlan, R.A., Bromley, E.H. & Pohl, E. (2015). A silk purse from a sow’s ear – bioinspired materials based on α-helical coiled coils. Current opinion in cell biology 32: 131-137.
Townsend, P.D., Rogers, T.L., Pohl, E., Wilson, M.R., McLeish, T.C.B. & Cann, M.J. (2015). Global low-frequency motions in protein allostery: CAP as a model system. Biophysical Reviews 7(2): 175-182.
Foronda, F.R., Lang, F., Möller, J.S., Lancaster, T., Boothroyd, A.T., Pratt, F.L., Giblin, S.R., Prabhakaran, D. & Blundell, S.J. (2015). Anisotropic local modification of crystal field levels in Pr-based pyrochlores a muon-induced effect modeled using density functional theory. Physical Review Letters 114(1): 017602.
Joubert, Fanny, Sharples, Gary J., Musa, Osama M., Hodgson, David R. W. & Cameron, Neil R. (2015). Preparation, properties, and antibacterial behavior of a novel cellulose derivative containing lactam groups. Journal of Polymer Science Part A: Polymer Chemistry 53(1): 68-78.
Dai, S., Augarde, C.E., Du, C. & Chen, D. (2015). A fully automatic polygon scaled boundary finite element method for modelling crack propagation. Engineering Fracture Mechanics 133: 163-178.