A selection of latest publications A selection of latest publications

The latest research publications and papers from within the school of Chemistry.

Lancaster, S. J., Cook, D. F. and Massingberd-Mundy, W. J.
Peer instruction as a flexible, scalable, active learning approach in higher education.
Seery, M. K. and Mc Donnell, C. (Eds.), Teaching Chemistry in Higher Education: A Festschrift in Honour of Professor Tina Overton. (2019)
Creathach Press, Dublin, pp. 89-104.

Matthew O. Ross, Fraser MacMillan, Jingzhou Wang, Alex Nisthal, Thomas J. Lawton, Barry D. Olafson, Stephen L. Mayo, Amy C. Rosenzweig, Brian M. Hoffman
Particulate methane monooxygenase contains only mononuclear copper centers.
Science 364, 566-570 (2019)
DOI: 10.1126/science.aav2572

Hannah B. L. Jones, Rory M. Crean, Anna Mullen, Emanuele G. Kendrick, Steven D. Bull , Stephen A. Wells, David R. Carbery, Fraser MacMillan , Marc W. van der Kamp, and Christopher R. Pudney.
Exposing the Interplay Between Enzyme Turnover, Protein Dynamics, and the Membrane Environment in Monoamine Oxidase B.
Biochemistry, 58, 2362-2372 (2019)
DOI: 10.1021/acs.biochem.9b00213

Shiran Barber‐Zucker, Jenny Hall, Sivasubramanyan, Venkata Mangapuram, Itamar Kass, Sofiya Kolusheva, Fraser MacMillan, Raz Zarivach, Arnon Henn, 
Metal binding to the dynamic cytoplasmic domain of the cation diffusion facilitator (CDF) protein MamM induces a 'locked-in' configuration.
FEBS Journal 286(11) 2193-2215 (2019)
DOI: 10.1111/febs.14795 

NosL is a dedicated copper chaperone for assembly of the Cuz center of nitrous oxide reductase.
Bennett, S., Soriano-Laguna, M.,Bradley, J., Svistunenko, D. A.,Richardson, D., Gates, A. & Le Brun,N.,
Apr 2019, Chemical Science.
DOI: 10.1039/c9sc01053j

A New Mode of Chemical Reactivity for Metal-Free Hydrogen Activation by Lewis Acidic Boranes.
Slootweg, C., Bennett, E., Lawrence, E., Blagg, R., Mullen, A., Macmillan, F., Ehlers, A., Ashley, A., Scott, D., Sapsford, J. & Wildgoose, G.,
Apr 2019, Angewandte Chemie International Edition.
DOI: 10.1002/anie.201900861

Chirality in fluorescence and energy transfer.
Andrews, D.L.
Mar 2019, Methods and Applications in Fluorescence, Volume 7, Number 3
DOI: 10.1088/2050-6120/ab10f0.

Influence of the Nb/P ratio of acidic Nb-P-Si oxides on surface and catalytic properties.
Gervasini, A., Campisi, S., Carniti, P., Fantauzzi, M., Imparato, C., Clayden,
N. J., Aronne, A. & Rossi, A.,
Apr 2019, Applied Catalysis A: General.
DOI: 10.1016/j.apcata.2019.04.008

Reaction of O2 with a diiron protein generates a mixed-valent Fe2+/Fe3+ center and peroxide. (2019)
Justin M. Bradley, Dimitri A. Svistunenko, Jacob Pullin, Natalie Hill, Rhona K. Stuart, Brian Palenik, Michael T. Wilson, Andrew M. Hemmings, Geoffrey R. Moore, and Nick E. Le Brun
DOI: 10.1073/pnas.1809913116

Ultrafast Structure and Dynamics in the Thermally Activated Delayed Fluorescence of a Carbene- Metal-Amide. (2018)
Hall, C. R., Romanov, A. S., Bochmann, M. & Meech, S. R. 19 Sep 2018 In :
The Journal of Physical Chemistry Letters.
DOI: 10.1021/acs.jpclett.8b02797

Electron transfer ferredoxins with unusual cluster binding motifs support secondary metabolism in many bacteria. (2018)
Child, S. A., Bradley, J. M., Pukala, T. L., Svistunenko, D. A., Le Brun, N. E. & Bell, S. G.
Chemical Science.
DOI: 10.1039/C8SC01286E

Isocyanide insertion into Au- H bonds: first gold iminoformyl complexes. (2018)
Fernandez-Cestau, J., Rocchigiani, L., Pintus, A., Rama, R. J., Budzelaar, P. H. M. & Bochmann, M.
Chemical Communications.
DOI: 10.1039/C8CC06409A

Cyclometallated Au(III) dithiocarbamate complexes: synthesis, anticancer evaluation and mechanistic studies. (2018)
Williams, M., Bertrand, B., Hughes, D. L., Waller, Z. A. E., Schmidt, C., Ott, I., O'Connell, M. A., Searcey, M. & Bochmann, M.
Metallomics.
DOI: 10.1039/C8MT00225H

Acridine-decorated cyclometallated gold(III) complexes: synthesis and anti-tumour investigations. (2018)
Williams, M. R. M., Bertrand, B., Fernandez-Cestau, J., Waller, Z. A. E., O'Connell, M. A., Searcey, M. & Bochmann, M.
Dalton Transactions.
DOI: 10.1039/c8dt02507j

Discovery of small molecule WWP2 ubiquitin ligase inhibitors. (2018)
Watt, J., Hughes, G.,Walpole, S., Monaco, S.,Stephenson, G. R., Bulman
Page, P., Hemmings, A.,Angulo, J. & Chantry, A.
Chem. Eur J.
DOI: 10.1002/chem.201804169

EPR spectroscopy and molecular dynamics modelling: a combined approach to study liquid crystals. (2018)
Oganesyan, V. S.
Liquid Crystals.
DOI: 10.1080/02678292.2018.1508767

A Fluorescent Probe Identifies Active Site Ligands of Inositol Pentakisphosphate 2- Kinase. (2018)
Whitfield, H., Gilmartin, M., Baker, K., Riley, A. M., Godage, H. Y., Potter, B. V. L., Hemmings, A. M. & Brearley, C. A.
Journal of Medicinal Chemistry.
DOI: 10.1021/acs.jmedchem.8b01022.

Symmetries, Conserved Properties, Tensor Representations, and Irreducible Forms in Molecular Quantum Electrodynamics. (2018)
Andrews, D. L.
Symmetry. 10, 7, 298
DOI: 10.3390/sym10070298

Efficient Vacuum-Processed Light-Emitting Diodes Based on Carbene-Metal-Amides. (2018)
Conaghan, P. J., Menke, S. M., Romanov, A. S., Jones, S. T. E., Pearson, A. J., Evans, E. W., Bochmann, M., Greenham, N. C. & Credgington, D.
Advanced Materials. 30, 35, 1802285
DOI: 10.1002/adma.201802285

Unusual Nucleophilic Addition of Grignard Reagents in the Synthesis of 4-Amino-pyrimidines. (2018)
Tinson, R. A. J., Hughes, D. L., Ward, L. & Stephenson, G. R.
ACS Omega. 3, 8, p. 8937-8944 8 p.
DOI: 10.1021/acsomega.8b01137

Calabrese, V., da Silva, M. A., Schmitt, J., Muñoz- Garcia, J. C., Gabrielli, V., Scott, J. L., Angulo, J., Khimyak, Y. Z. & Edler, K. J.
Surfactant controlled zwitterionic cellulose nanofibril dispersions. (2018)
Soft Matter.
DOI: 10.1039/C8SM00752G

Alea-Reyes, ME, Penon, O, García Calavia, P, Marín, MJ, Russell, DA & Pérez-García, L.
Synthesis and in vitro phototoxicity of multifunctional Zn(II)meso-tetrakis(4-carboxyphenyl)porphyrin-coated gold nanoparticles assembled via axial coordination with imidazole ligands. 2018
Journal of Colloid and Interface Science, vol 521, pp. 81-90.
DOI: 10.1016/j.jcis.2018.03.014

Currie, L, Rocchigiani, L, Hughes, DL & Bochmann, M.
Carbon-sulfur bond formation by reductive elimination of gold(III) thiolates2018
Dalton Transactions, vol 47, no. 18, pp. 6333-6343.
DOI: 10.1039/C8DT00906F

Cooper, L, Alonso, JM, Eagling, L, Newson, H, Herath, S, Thomson, C, Lister, A, Howsham, C, Cox, B & Paz Muñoz, M.
Synthesis of a Novel Type of 2,3'-BIMs via Platinum-Catalysed Reaction of Indolylallenes with Indoles. 2018
Chemistry - A European Journal, vol 24, no. 23, pp. 6105-6114.
DOI: 10.1002/chem.201705417

Jenner, LP & Butt, JN.
Electrochemistry of surface-confined enzymes: Inspiration, insight and opportunity for sustainable biotechnology. 2018
Current Opinion in Electrochemistry.
DOI: 10.1016/j.coelec.2018.03.021

Abdelhamid, MAS, Fábián, L, MacDonald,CJ, Cheesman, MR, Gates, AJ & Waller, ZAE.
Redox-dependent control of i-Motif DNA structure using copper cations2018
Nucleic Acids Research.
DOI: 10.1093/nar/gky390

Conaghan, P. J., Menke, S. M., Romanov, A. S., Jones, S. T. E., Pearson, A. J., Evans, E. W., Bochmann, M., Greenham, N. C. & Credgington, D.
Efficient Vacuum-Processed Light-Emitting Diodes Based on Carbene-Metal-Amides. 2018
Advanced Materials.
DOI: 10.1002/adma.201802285

Bochmann, M., Chambrier, I., Rocchigiani, L., Hughes, D. L. & Budzelaar, P. H. M.
Thermally stable gold(III) alkene and alkyne complexes: Synthesis, structures, and assessment of the transinfluence on gold-ligand bond enthalpies2018
Chemistry - A European Journal.
DOI: 10.1002/chem.201802160

Nasereddin, J. M., Wellner, N., Alhijjaj, M., Belton, P. & Qi, S.
Development of a Simple Mechanical Screening Method for Predicting the Feedability of a Pharmaceutical FDM 3D Printing Filament2018
Pharmaceutical Research. 35, 8, 151
DOI: 10.1007/s11095-018-2432-3.

Catte, A, Wilson, MR, Walker, M & Oganesyan, VS.
Antimicrobial action of the cationic peptide, chrysophsin-3: a coarsegrained molecular dynamics study. 2018
Soft Matter, vol 14, no. 15, pp. 2796-2807.
DOI: 10.1039/C7SM02152F

Oganesyan, V. S., Catte, A., White, G. & Wilson, M. 
Direct prediction of EPR spectra from lipid bilayers – a route to understanding structure and dynamics in biological membranes2018
ChemPhysChem.
DOI: 10.1002/cphc.201800386

Rocchigiani, L., Fernandez-Cestau, J., Chambrier, I., Hrobárik, P. & Bochmann, M
Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Inter-play of cis / trans-Influence on Stability, Insertion Chemistry and NMR Chemical Shifts. 2018
J Am Chem Soc; 140(26): 8287–8302.
DOI: 10.1021/jacs.8b04478

Wang, Q. & Chao, Y.
Multifunctional quantum dots and liposome complexes in drug delivery2018
Journal of Biomedical Research. 32, 2, p. 91-106
DOI:  10.7555/JBR.31.20160146

Ashworth, S. H.
Telescopes: a very short introduction2018
Contemporary Physics. 59, 2, p. 215-216 2 p.
DOI: 10.1080/00107514.2018.1448449

Nasereddin, J., Belton, P. & Qi, S.
Investigation of the mechanical properties of hot-melt extruded filaments for pharmaceutical applications of FDM2018
DOI: 10.4172/0976-4860-C1-002

Hall, CR, Browne, WR, Feringa, BL & Meech, SR.
Mapping the Excited-State Potential Energy Surface of a Photomolecular Motor. 2018
Angewandte Chemie International Edition, vol 57, no. 21, pp. 6203-6207.
DOI: 10.1002/anie.201802126

Bochmann, M, Bertrand, B & Williams, MRM.
Gold(III) Complexes for Anti-tumour Applications: an Overview2018
Chemistry - A European Journal.
DOI: 10.1002/chem.201800981

Laptenok, SP, Gil, AA, Hall, CR, Lukacs, A, Iuliano, JN, Jones, GA, Greetham, GM, Donaldson, P, Miyawaki, A, Tonge, PJ & Meech, SR.
Infrared spectroscopy reveals multi-step multi-timescale photoactivation in the photoconvertible protein archetype dronpa2018
Nature Chemistry.
DOI: 10.1038/s41557-018-0073-0

Adinolfi, S, Puglisi, R, Crack, J, Iannuzzi, C, Dal Piaz, F, Konarev, PV, Svergun, DI, Martin, S, Le Brun, NE & Pastore, A
The Molecular Bases of the Dual Regulation of Bacterial Iron Sulfur Cluster Biogenesis by CyaY and IscX2018 
Frontiers in Molecular Biosciences, vol 4, 97.
DOI: 10.3389/fmolb.2017.00097

Alonso, JM & Muñoz, MP
Heterobimetallic Catalysis: Platinum-Gold-Catalyzed Tandem Cyclization/C-X Coupling Reaction of (Hetero)Arylallenes with Nucleophiles2018
Angewandte Chemie International Edition, vol 57, no. 17, pp. 4742-4746.
DOI: 10.1002/anie.201800670

Alonso, JM & Muñoz, MP
Evidence of Hybrid Homogeneous–Heterogeneous Catalysis in a Pt/Au Heterobimetallic System2018
ChemCatChem, vol 10, no. 12, pp. 2646-2654.
DOI: 10.1002/cctc.201800076

Andrews, DL, Jones, GA, Salam, A & Woolley , RG
Perspective: Quantum Hamiltonians for optical interactions2018
The Journal of Chemical Physics, vol 148, no. 4, 040901.
DOI: 10.1063/1.5018399

Andrews, DL
Quantum formulation for nanoscale optical and material chirality: symmetry issues, space and time parity, and observables2018
Journal of Optics, vol 20, no. 3, 033003.
DOI: 10.1088/2040-8986/aaaa56

Benoît, B, O'Connell, MA, Waller, ZAE & Bochmann, M
2018
A gold(III) pincer ligand scaffold for the synthesis of binuclear and bioconjugated complexes: synthesis and anticancer potential. 2018
Chemistry - A European Journal, vol 24, no. 14, pp. 3613–3622.
DOI: 10.1002/chem.201705902

Conyard, J, Heisler, IA, Chan, Y, Bulman Page, P, Meech, SR & Blancafort, L
A New Twist in the Photophysics of the GFP Chromophore: A Volume-Conserving Molecular Torsion Couple2018
Chemical Science, vol 9, no. 7, pp. 1803-1812.
DOI: 10.1039/C7SC04091A

Crack, JC, Hamilton, CJ & Le Brun, NE
Mass spectrometric detection of iron nitrosyls, sulfide oxidation and mycothiolation during nitrosylation of the NO sensor [4Fe-4S] NsrR2018
Chemical Communications, vol 54, no. 47, pp. 5992-5995.
DOI: 10.1039/c8cc01339j

Garcia Calavia, P, Marin , MJ, Chambrier, I Cook, MJ & Russell, DA.
Towards optimisation of surface enhanced photodynamic therapy of breast cancer cells using gold nanoparticle-photosensitiser conjugates. 2018
Photochemical & Photobiological Sciences, vol 17, no. 3, pp. 281-289.
DOI:10.1039/C7PP00225D

García Calavia, P, Chambrier, I, Cook, MJ, Haines, AH, Field, RA & Russell, DA.
Targeted photodynamic therapy of breast cancer cells using lactose-phthalocyanine functionalized gold nanoparticles.
Journal of Colloid and Interface Science, vol 512, pp. 249-259.
DOI: 10.1016/j.jcis.2017.10.030

Edwards, MJ, White, GF, Lockwood, CW, Lawes, MC, Martel, A, Harris, G, Scott, DJ, Richardson, DJ, Butt, JN & Clarke, TA
Structural modeling of an outer membrane electron conduit from a metal-reducing bacterium suggests electron transfer via periplasmic redox partners. 2018 
Journal of Biological Chemistry, vol 293, no. 21, pp. 8103-8112.
DOI: 10.1074/jbc.RA118.001850

Hernaez, M, Mayes, AG & Melendi-Espina, S
Graphene Oxide in Lossy Mode Resonance-Based Optical Fiber Sensors for Ethanol Detection2018
Sensors, vol 18, no. 1, 58.
DOI: 10.3390/s18010058

Jiménez Tejada, JA, Lopez-Varo, P, Chaure, NB, Chambrier, I, Cammidge, AN, Cook, MJ, Jafari-Fini, A & Ray, AK
Organic thin film transistors using a liquid crystalline palladium phthalocyanine as active layer2018
Journal of Applied Physics, vol 123, no. 11, 115501.
DOI: 10.1063/1.5017472

Jones, GA & Grinter, R
The plane-and spherical-wave descriptions of electromagnetic radiation: A comparison and discussion of their relative merits2018
European Journal of Physics, vol 39, 053001.
DOI: 10.1088/1361-6404/aac366

Matthews, S, Cecioni, S, O'Brien, J, MacDonald, C, Hughes, D, Jones, G, Ashworth, S & Vidal, S
Fixing the conformation of calix[4]arenes: When are three carbons not enough?  2018
Chemistry - A European Journal, vol 24, no. 17, pp. 4436-4444.
DOI: 10.1002/chem.201705955

Pintus, A & Bochmann, M.
Radicalinitiated alkene hydroauration as a route to gold(III) alkyls: an experimental and computational study2018
RSC Advances, vol 8, no. 5, pp. 2795-2803.
DOI: 10.1039/c7ra13481a