Publications

Below are some of the latest publications from members of the GCRF START network. Please send any additions for this list to gcrf_start@diamond.ac.uk.

Energy Materials

Thulani M. Nyathi, Mohamed I. Fadlalla, Nico Fischer, Andrew P.E. York, Ezra J. Olivier, Emma K. Gibson, Peter P. Wells, Michael Claeys, (2021). Support and gas environment effects on the preferential oxidation of carbon monoxide over Co3O4 catalysts studied in situ, Applied Catalysis B: Environmental, Volume 297, 2021, 120450, ISSN 0926-3373

Catlow C, (2021). Concluding remarks: Reaction mechanisms in catalysis: perspectives and prospects. Faraday Discussions

Bernardo G, Lopes T, Lidzey D, Mendes A, (2021). Progress in Upscaling Organic Photovoltaic Devices. Advanced Energy Materials

Abdelaal M, Abdellatif M, Riede M, Bassioni G, (2021). Studying the Effect of High Substrate Temperature on the Microstructure of Vacuum Evaporated TAPC: C60 Organic Solar Thin Films. Materials

Otieno F, Kotane L, Airo M, Erasmus RM, Billing C, Wamwangi D and Billing DG (2021) Comparative Investigation of Fullerene PC71BM and Non-fullerene ITIC-Th Acceptors Blended With P3HT or PBDB-T Donor Polymers for PV Applications. Front. Energy Res. 9:640664.

O. Akinbami,a, G. N. Ngubeni,a, F. Otieno,ab, R. Kadzutu-Sithole,a, E. C. Linganiso,acd, Z. N. Tetana,acd, S. S. Gqoba,a, K. P. Mubiayi,ac and N. Moloto, J. Mater. Chem. C, (2021), The effect of temperature and time on the properties of 2D Cs2ZnBr4 perovskite nanocrystals and their application in a Schottky barrier device. Advance Article.

Otieno, F., Kotane, L., Airo, M. et al. (2021) Probing the properties of polymer/non-fullerene/fullerene bulk heterojunction ternary blend solar cells, study of varied blend ratios of PBDB-T:ITIC-Th:PC71BM. Eur. Phys. J. Plus 136, 171 .

Sameer Vajjala Kesava and Moritz K. Riede, (2021). Direct observation and evolution of electronic coupling between organic semiconductors. Phys. Rev. Materials 5, 015601, Vol. 5, Iss. 1

Alberto Privitera, Ross Warren, Giacomo Londi, Pascal Kaienburg, Junjie Liu,Andreas Sperlich, Andreas E. Lauritzen, Oliver Thimm, Arzhang Ardavan, David Beljonne and Moritz Riede, (2021). Electron spin as fingerprint for charge generation and transport in doped organic semiconductors. J. Mater. Chem. C, Advance Article

Mildred A. Airo, Francis Otieno, Lineo Mxakaza, Adewale Ipadeola, Rudo S. Kadzutu-Sithole, Lerato F. E. Machogo-Phao, Caren Billing, Makwena Moloto and Nosipho Moloto (2020). Probing the stoichiometry dependent catalytic activity of nickel selenide counter electrodes in the redox reaction of iodide/triiodide electrolyte in dye sensitized solar cells. RSC Adv., 2020, 10, 39509-39520

Otieno, F., Airo, M., Erasmus, R.M. et al. (2020) Annealing effect on the structural and optical behavior of ZnO:Eu3+ thin film grown using RF magnetron sputtering technique and application to dye sensitized solar cells. Sci Rep 10, 8557

Xie, B., Wong, R.J., Tan, T.H. et al., (2020). Synergistic ultraviolet and visible light photo-activation enables intensified low-temperature methanol synthesis over copper/zinc oxide/alumina. Nat Commun 11, 1615

Michael D. Higham, Matthew G. Quesne, C. Richard A. Catlow, (2020). Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces. Dalton Trans, 49, 8478-8497

Thulani M. Nyathi, Nico Fischer, Andrew P. E. York, and Michael Claeys, (2020). Environment-Dependent Catalytic Performance and Phase Stability of Co3O4 in the Perferential Oxidation of Carbon Monoxide Studied In Situ. ACS Catalysis 2020 10 (20), 11892-11911

Campisi S, Chan-Thaw C, Chinchilla L, Chutia A, Botton G, Mohammed K, Dimitratos N… Villa A. (2020). Dual-Site-Mediated Hydrogenation Catalysis on Pd/NiO: Selective Biomass Transformation and Maintenance of Catalytic Activity at Low Pd Loading. ACS Catalysis

Mohamed I. Fadlalla, Sundaram Ganesh Babu, Thulani M. Nyathi, C. J. Kees-Jan Weststrate, Nico Fischer, J. W. Hans Niemantsverdriet, and Michael Claeys, (2020). Enhanced Oxygenates Formation in the Fischer-Tropsch Synthesis over Co- and/or Ni-Containing Fe Alloys: Characterization and 2D Gas Chromatographic product Analysis. ACS Catalysis 2020 10 (24), 14661-14677

T. L. Derrien, A. E. Lauritzen, P. Kaienburg, J. F. M. Hardigree, C. Nicklin, and M. Riede (2020), In Situ Observations of the Growth Mode of Vacuum-Deposited α-Sexithiophene, The Journal of Physical Chemistry C 2020 124 (22), 11863-11869

E. Gemo, S. V. Kesava, C. Ruiz De Galarreta, L. Trimby, S. García-Cuevas Carrillo, M. Riede, A. Baldycheva, A. Alexeev, and C. D. Wright, (2020) Simple technique for determining the refractive index of phase-change materials using near-infrared reflectometry Opt. Mater. Express 10, 1675-1686

Kaienburg P, Krückemeier L, Lübke D, Nelson J, Rau U, Kirchartz T. (2020). How solar cell efficiency is governed by the αμτ product. Physical Review Research

Smith JA, Game OS, Bishop JE, Spooner ELK, Kilbride RC, Greenland C, Jayaprakash R… Lidzey DG. (2020). Rapid Scalable Processing of Tin Oxide Transport Layers for Perovskite Solar Cells. ACS applied energy materials, 3 (6), pp. 5552-5562

Blackmore RH, Rivas ME, Tierney GF, Mohammed KMH, Decarolis D, Hayama S, Venturini F… Wells PP. (2020). The electronic structure, surface properties, and NO decomposition of mechanochemically synthesised LaMnO. Physical chemistry chemical physics : PCCP, 22 (34), pp. 18774-18787

Game O, Smith J, Alanazi T, Wong-Stringer M, Kumar V, Rodenburg C, Terrill N… Lidzey D. (2020). Solvent vapour annealing of methylammonium lead halide perovskite: what’s the catch?. Journal of Materials Chemistry A

Alanazi T, Game O, Smith J, Kilbride R, Greenland C, Jayaprakash R, Georgiou K… Lidzey D. (2020). Potassium iodide reduces the stability of triple-cation perovskite solar cells. RSC Advances

Higham M, Mora-Fonz D, Sokol A, Woodley S, Catlow C. (2020). Morphology of Cu clusters supported on reconstructed polar ZnO (0001) and (0001̄) surfaces. Journal of Materials Chemistry A

Vajjala Kesava, S., Hassan, Y, Privitera, A., Varambjia, A, Smith, H.J. & Riede, M.K. (2020) Azetidinium as cation in lead mixed halide perovskite nanocrystals of optoelectronic quality. AIP Advances 10, 025001

Tierney, G.F., Decarolis, D., Abdullah, N., Rogers, S.M., Hayama, S., Briceno de Gutierrez, M., Villa, A., Catlow, C.R.A., Collier, P., Dimitratos, N. & Wells, P.P. (2019) Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization. Nanoscale Adv. 1, 2546-2552.

Li, W., Xiao, Z., Cai, J., Smith, J.A., Spooner, E.L.K., Kilbride, R.C., Game, O.S., Meng, X., Li, D., Zhang, H., Chen, M., Gurney, R.S., Liu, D., Jones, R.A.L., Lidzey, D.G., Ding, L. & Wang, T. (2019) Correlating the electron-donating core structure with morphology and performance of carbonoxygen-bridged ladder-type non-fullerene acceptor based organic solar cells. Nano Energy 61, 318-326.

Greenland, C., Shnier, A., Rajendran, S.K., Smith, J.A., Game, O.S., Wamwangi, D., Turnbull, G.A., Samuel, I.D.W., Billing, D.G. & Lidzey, D.G. (2019) Correlating Phase Behavior with Photophysical Properties in Mixed‐Cation Mixed‐Halide Perovskite Thin Films. Advanced Energy Materials 10, 1901350.

Otieno, F., Airo, M., Ganetsos, T., Erasmus, R.M., Billing, D.G., Quandt, A. & Wamwangi, D. (2019Role of oxygen concentrations on structural and optical properties of RF magnetron sputtered ZnO thin films. Opt Quant Electron 51359

Li, W., Xiao, Z., Smith, J.A., Cai, J., Li, D., Kilbride, R.C., Spooner, E.L.K., Game, O.S., Meng, X., Liu, D., Jones, R.A.L., Lidzey, D.G., Ding, L., & Wang, T. (2019) Enhancing the efficiency of PTB7-Th:COi8DFIC-based ternary solar cells with versatile third components. Applied Physics Reviews 6, 041405.

Warren, R., Privitera, A., Kaienburg, P., Lauritzen, A.E., Thimm, O., Nelson, J. & Riede, M.K. (2019Controlling energy levels and Fermi level en route to fully tailored energetics in organic semiconductorsNat Commun 10, 5538.

Otieno, F., Airo, M., Njoroge, E.G., Erasmus, R, Ganetsos, T., Quandt, A, Wamwangi, D & Billing, D.G. (2019) Effect of implantation of Sm+ ions into RF sputtered ZnO thin film. AIP Advances 9, 045210.

Francis Otieno, Mildred Airo, Rudolph M. Erasmus, David G. Billing, Alexander Quandt and Daniel Wamwangi (2018). Effect of thermal treatment on ZnO:Tb3+ nano-crystalline thin films and application for spectral conversion in inverted organic solar cells. RSC Adv., 2018, 8, 29274

Structural Biology

Popova I, Lubbe L, Petukhov P, Kalantarov G, Trakht I, Chernykh E….. Danilov S, (2021). Epitope mapping of novel mAbs to human ACE. Protein Science

Sundaresan S, Ramesh P, Shobana N, Vinuchakkaravarthy T, Yasien S, Ponnuswamy M, (2021). Crystal structure of hemoglobin from mouse ( Mus musculus ) compared with those from other small animals and humans. Acta Crystallographica Section F Structural Biology Communications

Ramesh P, Sundaresan S, Shobana N, Vinuchakkaravarthy T, Sivakumar K, Yasien S, Ponnuswamy M, (2021). Structural studies of hemoglobin from two flightless birds, ostrich and turkey: insights into their differing oxygen-binding properties. Acta Crystallographica Section D Structural Biology

Potgieter K, Aimon A, Smit E, Delft F, Meijboom R, (2020). Robotic Catalysis: A High‐Throughput Method for Miniature Screening of Mesoporous Metal Oxides**. Chemistry–Methods

Tegally, H., Wilkinson, E., Giovanetti, M., Iranzadeh, A., Fonseca, V., Giandhari, J., …Wibmer, CK… & de Oliveira, T. (2020). Emergence and rapid spread of a new severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) lineage with multiple spike mutations in South Africa. medRxiv

Moyo T, Kitchin D, Moore PL. (2020). Targeting the N332-supersite of the HIV-1 envelope for vaccine design. Expert Opinion on Therapeutic Targets.  24 (6): 499-509

Woodward, Jeremy & Kirykowicz, Angela & Mulelu, Andani & Markus, & Piotrowski, Markus & Sewell, Trevor. (2020). The helical arrangement of nitrilase enzymes determines their substrate size. The FASEB Journal

Akumadu BO, Pandian R, Olfsen J, Worth R, Thulo M, Mentor T, Fanucchi S… Achilonu I. (2020). Molecular basis of inhibition of Schistosoma japonicum glutathione transferase by ellagic acid: Insights into biophysical and structural studies. Molecular and biochemical parasitology, pp. 111319

Lubbe, L., Cozier, G.E., Oosthuizen, D., Ravi Acharya, K., Sturrock E.D. (2020) ; ACE2 and ACE: structure-based insights into mechanism, regulation and receptor recognition by SARS-CoV. Clin Sci (Lond); 134 (21): 2851–2871.

Cozier, G.E., Lubbe, L., Sturrock, E.D. and Acharya, K.R. (2020), Angiotensin‐converting enzyme open for business: structural insights into the subdomain dynamics. FEBS J

Kirykowicz, A, Woodward, J. (2020) Shotgun EM of mycobacterial protein complexes during stationary phase stress. Current Research in Structural Biology 2, 204-212

Cozier, GE; Lubbe, L; Sturrock, ED; Acharya, KR. (2020) ACE-domain selectivity extends beyond direct interacting residues at the active site. Biochem J 477 (7): 1241–1259.

Tolmie, C., do Aido-Machado, R., Ferroni, F.M., Smit, M.S., Opperman, D.J. (2020) Natural Variation in the ‘Control Loop’ of BVMOAFL210 and Its Influence on Regioselectivity and SulfoxidationCatalysts 10, 339.

Lubbe, L., Sturrock, E.D. (2019) Interacting cogs in the machinery of the renin angiotensin system. Biophys Rev 11, 583–589.

Mulelu, A.E., Kirykowicz, A.M. & Woodward, J.D. (2019) Cryo-EM and directed evolution reveal how Arabidopsis nitrilase specificity is influenced by its quaternary structure. Commun Biol 2, 260.

Ebrecht, A.C., van der Bergh, N., Harrison, S.T.L., Smit, M.S., Sewell, B.T. & Opperman, D.J. (2019Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis. Sci Rep 9, 20088.

Nji E, Traore DAK, Ndi M, Joko CA, Doyle DA, (2019). BioStruct-Africa: empowering Africa-based scientists through structural biology knowledge transfer and mentoring – recent advances and future perspectives.. Journal of synchrotron radiation, 26 (Pt 5), pp. 1843-1850

Opperman D, Murgida D, Dalosto S, Brondino C, Ferroni F, (2019). A three-domain copper-nitrite reductase with a unique sensing loop. IUCrJ, 6 (Pt 2), pp. 248-258

Sewell B, (2019). The workshop on “Biophysics and Structural Biology at Synchrotrons” presented at the University of Cape Town from 16-24 January 2019. Biophysical reviews, 11 (4), pp. 491-493

Woodward J, Trompetter I, Sewell B, Piotrowski M, (2018). Substrate specificity of plant nitrilase complexes is affected by their helical twist. Communications biology, pp. 186

Abrie J. A., Moolman W. J. A., Cozier G. E., Schwager S. L., Acharya K. R., Sturrock E. D., (2018). Investigation into the Mechanism of Homo- and Heterodimerization of Angiotensin-Converting Enzyme (vol 93, pg 344, 2018). MOLECULAR PHARMACOLOGY, 93 (5), pp. 416-416

Fienberg Stephen, Cozier Gyles E., Acharya K. Ravi, Chibale Kelly, Sturrock Edward D., (2018). The Design and Development of a Potent and Selective Novel Diprolyl Derivative That Binds to the N-Domain of Angiotensin-I Converting Enzyme. Journal of medicinal chemistry, 61 (1), pp. 344-359

Cozier Gyles E., Schwager Sylva L., Sharma Rajni K., Chibale Kelly, Sturrock Edward D., Acharya K. Ravi, (2018). Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE – a molecular basis for domain selectivity. The FEBS journal, 285 (8), pp. 1477-1490

Moyo T, Ereño-Orbea J, Jacob R, Pavillet C, Kariuki S, Tangie E….. Dorfman J, (2018). Molecular Basis of Unusually High Neutralization Resistance in Tier 3 HIV-1 Strain, 253-11. Journal of Virology

Wibmer C, Richardson S, Yolitz J, Cicala C, Arthos J, Moore P, Morris L, (2018). Common helical V1V2 conformations of HIV-1 Envelope expose the α4β7 binding site on intact virions. Nature Communications

van Eeden C, Wibmer C, Scheepers C, Richardson S, Nonyane M, Lambson B….. Morris L, (2018). V2-Directed Vaccine-like Antibodies from HIV-1 Infection Identify an Additional K169-Binding Light Chain Motif with Broad ADCC Activity. Cell Reports

Wibmer C, Gorman J, Ozorowski G, Bhiman J, Sheward D, Elliott D….. Moore P, (2017). Structure and Recognition of a Novel HIV-1 gp120-gp41 Interface Antibody that Caused MPER Exposure through Viral Escape. PLOS Pathogens

Publications about the GCRF START project:

Goldsmith, L.C., Nicklin, C. (2019GCRF START Launch Event. Synchrotron Radiation News32:3, 4-6