Centre for Sustainable Chemical Technologies (CSCT)

Research Output 1983 2020

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23 Citations (Scopus)

Computational materials design of crystalline solids

Butler, K. T., Frost, J. M., Skelton, J. M., Svane, K. L. & Walsh, A., 21 Nov 2016, In : Chemical Society Reviews. 45, 22, p. 6138-6146

Research output: Contribution to journalArticle

Open Access
Crystalline materials
Fuel cells
Functional materials
Testing
Materials science
22 Citations (Scopus)

Computational screening of all stoichiometric inorganic materials

Davies, D. W., Butler, K. T., Jackson, A. J., Morris, A., Frost, J. M., Skelton, J. M. & Walsh, A., 13 Oct 2016, In : Chem. 1, 4, p. 617-627 10 p.

Research output: Contribution to journalArticle

Open Access
Screening
perovskite
Space Flight
Perovskite
Electrons
13 Citations (Scopus)
77 Downloads (Pure)

Computational screening of structural and compositional factors for electrically conductive coordination polymers

Tiana, D., Hendon, C. H., Walsh, A. & Vaid, T., 28 Jul 2014, In : Physical Chemistry Chemical Physics . 16, 28, p. 14463-14472 10 p.

Research output: Contribution to journalArticle

Open Access
File
coordination polymers
Screening
Polymers
screening
Metals
1 Downloads (Pure)
Bioreactors
Mass transfer
Computational fluid dynamics
Turbulence models
Dynamic analysis
12 Citations (Scopus)
21 Downloads (Pure)

Computer-aided design of metal chalcohalide semiconductors: from chemical composition to crystal structure

Davies, D., Butler, K., Skelton, J., Xie, C., Oganov, A. & Walsh, A., 28 Jan 2018, In : Chemical Science. 9, 4, p. 1022 - 1030 9 p.

Research output: Contribution to journalArticle

Open Access
Computer aided design
Crystal structure
Metals
Semiconductor materials
Materials science
69 Downloads (Pure)

Computer-Aided Design of Nanoceria Structures as Enzyme Mimetic Agents: The Role of Bodily Electrolytes on Maximizing Their Activity

Molinari, M., Symington, A., Sayle, D. C., Sakthivel, T., Seal, S. & Parker, S., 18 Mar 2019, In : ACS Applied Biomaterials. 2, 3, p. 1098-1106 9 p.

Research output: Contribution to journalArticle

Open Access
File
23 Citations (Scopus)
86 Downloads (Pure)

Computer simulation of defect clusters in UO2 and their dependence on composition

Brincat, N., Molinari, M., Parker, S. C., Allen, G. C. & Storr, M. T., 1 Jan 2015, In : Journal of Nuclear Materials. 456, p. 329-333

Research output: Contribution to journalArticle

Open Access
File

Conceptualization of a spent coffee grounds biorefinery: A review of existing valorisation approaches

Massaya, J., Prates Pereira, A., Mills_Lamptey, B., Benjamin, J. & Chuck, C., 1 Nov 2019, In : Food and Bioproducts Processing. 118, p. 149-166 18 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Concise synthesis of taxol A-ring components: Remote diastereoselective additions of alkenyl lithiums to aldehydes

Frost, C., Linnane, P., Magnus, P. & Spyvee, M., 16 Dec 1996, In : Tetrahedron Letters. 37, 51, p. 9139-9142 4 p.

Research output: Contribution to journalArticle

Bromine
Acetals
Paclitaxel
Lithium
Aldehydes
9 Citations (Scopus)

Concurrent la and A-Site Vacancy Doping Modulates the Thermoelectric Response of SrTiO3: Experimental and Computational Evidence

Azough, F., Jackson, S. S., Ekren, D., Freer, R., Molinari, M., Yeandel, S. R., Panchmatia, P. M., Parker, S. C., Maldonado, D. H., Kepaptsoglou, D. M. & Ramasse, Q. M., 6 Dec 2017, In : ACS Applied Materials and Interfaces. 9, 48, p. 41988-42000 13 p.

Research output: Contribution to journalArticle

Open Access
Vacancies
Doping (additives)
Thermal conductivity
Substitution reactions
Chemical analysis
147 Citations (Scopus)
104 Downloads (Pure)

Conductive metal–organic frameworks and networks: Fact or fantasy?

Hendon, C. H., Tiana, D. & Walsh, A., 14 Oct 2012, In : Physical Chemistry Chemical Physics. 14, 38, p. 13120-13132 12 p.

Research output: Contribution to journalArticle

Open Access
File
Metals
inorganic compounds
assembling
metals
Inorganic compounds
1 Citation (Scopus)

Confocal and fluorescence lifetime imaging sheds light on the fate of a pyrene-tagged carbon monoxide-releasing Fischer carbene chromium complex

Arrowsmith, R. L., Atkin, A. J., Botchway, S. W., Fairlamb, I. J. S., Lynam, J. M., Moir, J. W. B., Pascu, S. I., Ward, J. S. & Zhang, W-Q., 21 Mar 2015, In : Dalton Transactions . 44, 11, p. 4957-4962 6 p.

Research output: Contribution to journalArticle

Mitochondria
Chromium
Carbon Monoxide
Buffers
Fluorescence
55 Citations (Scopus)
Dimethylformamide
Cobalt
Porosity
Microcrystals
Hydrolysis
19 Citations (Scopus)

Continuous Crystallization of Paracetamol (Acetaminophen) Form II: Selective Access to a Metastable Solid Form

Agnew, L. R., McGlone, T., Wheatcroft, H. P., Robertson, A., Parsons, A. R. & Wilson, C. C., 3 May 2017, In : Crystal Growth and Design. 17, 5, p. 2418-2427 10 p.

Research output: Contribution to journalArticle

Acetaminophen
Crystallization
Crystallizers
crystallization
Molecules

Continuous-flow hydrogenation of CO2 using molecular catalysts

Wesselbaum, S., Vom Stein, T., Hintermair, U., Klankermayer, J. & Leitner, W., Sep 2014, In : Chemie Ingenieur Technik. 86, 9, p. 1428

Research output: Contribution to journalArticle

Carbon Monoxide
Ionic liquids
Hydrogenation
Ionic Liquids
Catalysts
1 Downloads (Pure)
Open Access
File
3 Citations (Scopus)
79 Downloads (Pure)

Continuously tuneable critical current in superconductor-ferromagnet multilayers

Curran, P., Kim, J., Satchell, N., Witt, J., Burnell, G., Flokstra, M. G., Lee, S. & Bending, S., 27 Jun 2017, In : Applied Physics Letters. 110, 26, 5 p., 262601.

Research output: Contribution to journalArticle

Open Access
File
critical current
vortices
superconducting devices
magnetization
domain wall
26 Citations (Scopus)
61 Downloads (Pure)

Continuous power generation from glucose with two different miniature flow-through enzymatic biofuel cells

Du Toit, H. & Di Lorenzo, M., 15 Jul 2015, In : Biosensors and Bioelectronics. 69, p. 199-205 7 p.

Research output: Contribution to journalArticle

Open Access
Enzymatic fuel cells
Bioelectric Energy Sources
Power generation
Glucose
Biosensing Techniques
10 Citations (Scopus)

Continuous production of bio-renewable, polymer-grade lactone monomers through Sn-β catalysed Baeyer-Villiger oxidation with H2O2

Yakabi, K., Mathieux, T., Milne, K., Lopez-Vidal, E. M., Buchard, A. & Hammond, C., 22 Sep 2017, In : ChemSusChem. 10, 18, p. 3652–3659

Research output: Contribution to journalArticle

Lactones
Polymers
polymer
Monomers
oxidation
12 Citations (Scopus)

Continuous production of cellulose microbeads via membrane emulsification

Coombs O'Brien, J., Torrente Murciano, L., Mattia, D. & Scott, J. L., 3 Jul 2017, In : ACS Sustainable Chemisty and Engineering . 5, 7, p. 5931-5939 9 p.

Research output: Contribution to journalArticle

Open Access
Emulsification
Cellulose
cellulose
membrane
Membranes
2 Citations (Scopus)

Contrasting Transient Photocurrent Characteristics for Thin Films of Vacuum-Doped “Grey” TiO2 and “Grey” Nb2O5

Araújo, M. A., Gromboni, M. F., Marken, F., Parker, S., Peter, L., Turner, J., Aspinall, H. C., Black, K. & Mascaro, L., 5 Dec 2018, In : Applied Catalysis B: Environmental. 237, p. 339-352 14 p.

Research output: Contribution to journalArticle

Oxygen vacancies
Photocurrents
Vacuum
Thin films
Spray pyrolysis
24 Citations (Scopus)

Controlled-folding of a small molecule modulates DNA G-quadruplex recognition

Mueller, S., Pantos, G. D., Rodriguez, R. & Balasubramanian, S., 12 Nov 2008, In : Chemical Communications. 1, p. 80-82 3 p.

Research output: Contribution to journalArticle

DNA
Molecules
9 Citations (Scopus)
53 Downloads (Pure)

Controlled Formation of Hierarchical Metal-Organic Frameworks Using CO2-Expanded Solvent Systems

Doan, H. V., Fang, Y., Yao, B., Dong, Z., White, T. J., Sartbaeva, A., Hintermair, U. & Ting, V. P., 5 Sep 2017, In : ACS Sustainable Chemistry and Engineering. 5, 9, p. 7887-7893 7 p.

Research output: Contribution to journalArticle

Open Access
File
Carbon Monoxide
Metals
metal
Crystallization
crystallization
3 Citations (Scopus)
87 Downloads (Pure)

Controlled hydrothermal pore reduction in anodic alumina membranes

Mattia, D. & Leese, H., 21 Nov 2014, In : Nanoscale. 6, 22, p. 13952-13957

Research output: Contribution to journalArticle

Open Access
File
16 Citations (Scopus)

Controlled production of the elusive metastable form II of acetaminophen (paracetamol): a fully scalable templating approach in a cooling environment

Agnew, L., Wilson, C., Cruickshank, D. & McGlone, T., 2016, In : Chemical Communications. 52, p. 7368-7371 7371 p.

Research output: Contribution to journalArticle

Open Access
Acetaminophen
Application programming interfaces (API)
Solubility
Crystallization
Cooling
5 Citations (Scopus)

Controlling interfacial film formation in mixed polymer-surfactant systems by changing the vapor phase

Mokhtari, T., Pham, Q. D., Hirst, C., O'Driscoll, B. M. D., Nylander, T., Edler, K. J. & Sparr, E., 26 Aug 2014, In : Langmuir. 30, 33, p. 9991-10001 11 p.

Research output: Contribution to journalArticle

Surface-Active Agents
humidity
Atmospheric humidity
Polymers
Surface active agents
36 Citations (Scopus)

Convection-enhanced delivery of carboplatin PLGA nanoparticles for the treatment of glioblastoma

Arshad, A., Yang, B., Bienemann, A. S., Barua, N. U., Wyatt, M. J., Woolley, M., Johnson, D. E., Edler, K. J. & Gill, S. S., 17 Jul 2015, In : PLoS ONE. 10, 7, e0132266.

Research output: Contribution to journalArticle

Open Access
drug delivery systems
Convection
Carboplatin
nanoparticles
Glioblastoma
20 Downloads (Pure)

Converging and diverging governance mechanisms: The dynamic interplay of (dys)function

Howard, M. B., Roehrich, J., Lewis, M. & Squire, B., 2017, In : Academy of Management Proceedings. 2017, 1, 10077.

Research output: Contribution to journalArticle

Open Access
File
Governance mechanisms
Governance
Interorganizational relationships
Formalization
Complementarity
31 Citations (Scopus)

Conversion of aldoximes into nitriles and amides under mild conditions

Tambara, K. & Pantos, G. D., 21 Apr 2013, In : Organic and Biomolecular Chemistry. 11, 15, p. 2466-2472 7 p.

Research output: Contribution to journalArticle

Nitriles
Oximes
nitriles
Amides
amides
18 Citations (Scopus)
84 Downloads (Pure)

Cooperative high-temperature spin crossover accompanied by a highly anisotropic structural distortion

Gural'skiy, I. A., Golub, B. O., Shylin, S. I., Ksenofontov, V., Shepherd, H. J., Raithby, P. R., Tremel, W. & Fritsky, I. O., Jul 2016, In : European Journal of Inorganic Chemistry. 2016, 19, p. 3191-3195

Research output: Contribution to journalArticle

Open Access
File
Mossbauer spectroscopy
Iron
Cooling
Heating
Temperature
8 Citations (Scopus)

Coordination of arenes and phosphines by charge separated alkaline earth cations

Hill, M., Garcia, L., Anker, M., Mahon, M. & Maron, L., 28 Sep 2018, In : Dalton Transactions . 47, 36, p. 12684-12693 10 p.

Research output: Contribution to journalArticle

Open Access
44 Citations (Scopus)

Coordination of tetradentate X2N2 (X = P, S, O) ligands to iron(II) metal center and catalytic application in the transfer hydrogenation of ketones

Buchard, A., Heuclin, H., Auffrant, A., Le Goff, X. F. & Le Floch, P., 2009, In : Dalton Transactions. 2009, 9, p. 1659-1667 9 p.

Research output: Contribution to journalArticle

phosphine
Ketones
Hydrogenation
Iron
Metals
1 Citation (Scopus)

Copolymerization of Cyclic Phosphonate and Lactide: Synthetic Strategies toward Control of Amphiphilic Microstructure

Beament, J., Wolf, T., Markwart, J. C., Wurm, F. R., Jones, M. D. & Buchard, A., 12 Feb 2019, In : Macromolecules. 52, 3, p. 1220–1226 7 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Copper (II) chlorofluorophosphate: a new layered square-net for intercalating amines

Williams, E. R., Marshall, K. & Weller, M., 7 Jan 2015, In : CrystEngComm. 17, 1, p. 160-164

Research output: Contribution to journalArticle

10 Citations (Scopus)

Copper-catalysed reductive amination of nitriles and organic-group reductions using dimethylamine borane

Van Der Waals, D., Pettman, A. & Williams, J. M. J., 2014, In : RSC Advances. 4, 94, p. 51845-51849 5 p.

Research output: Contribution to journalArticle

Boranes
Amination
Nitriles
Functional groups
Amines
7 Citations (Scopus)

Copper catalyzed assembly of N-aryloxazolidinones: synthesis of linezolid, tedizolid, and rivaroxaban

Mahy, W., Leitch, J. A. & Frost, C. G., Mar 2016, In : European Journal of Organic Chemistry. 2016, 7, p. 1305-1313

Research output: Contribution to journalArticle

Linezolid
Copper
assembly
Amino Alcohols
Oxazolidinones
27 Citations (Scopus)
58 Downloads (Pure)

Copper-catalyzed one-pot synthesis of  N-Aryl oxazolidinones from amino alcohol carbamates

Mahy, W., Plucinski, P. K. & Frost, C. G., 2 Oct 2014, In : Organic Letters. 16, 19, p. 5020-5023 4 p.

Research output: Contribution to journalArticle

File
Amino Alcohols
Oxazolidinones
Carbamates
Iodides
iodides

Copper stress underlies the fundamental change in intracellular location of methane mono-oxygenase in methane-oxidizing organisms: Studies in batch and continuous cultures

Stanley, S. H., Prior, S. D., Leak, D. J. & Dalton, H., 1 Jan 1983, In : Biotechnology Letters. 5, 7, p. 487-492 6 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Correction: low-cost lipid production by an oleaginous yeast cultured in non-sterile conditions using model waste resources

Santomauro, F., Whiffin, F., Scott, R. J. & Chuck, C. J., 22 Mar 2014, In : Biotechnology for Biofuels. 7, 1, 42.

Research output: Contribution to journalArticle

2 Citations (Scopus)
53 Downloads (Pure)

Correction: Microwave gallium-68 radiochemistry for kinetically stable bis(thiosemicarbazone) complexes: Structural investigations and cellular uptake under hypoxia (Dalton Transactions (2016) 45 (144-155))

Alam, I. S., Arrowsmith, R. L., Cortezon-Tamarit, F., Twyman, F., Kociok-Köhn, G., Botchway, S. W., Dilworth, J. R., Carroll, L., Aboagye, E. O. & Pascu, S. I., 28 Feb 2016, In : Dalton Transactions. 45, 8, p. 3650 1 p.

Research output: Contribution to journalArticle

Open Access
File

Correction to: Molecular Design Strategy to Construct the Near-Infrared Fluorescent Probe for Selectively Sensing Human Cytochrome P450 2J2 (Journal of the American Chemical Society (2019) 141 (1126-1134) DOI: 10.1021/jacs.8b12136)

Ning, J., Liu, T., Dong, P., Wang, W., Ge, G., Wang, B., Yu, Z., Shi, L., Tian, X., Huo, X., Feng, L., Wang, C., Sun, C., Cui, J., James, T. D. & Ma, X., 21 Aug 2019, In : Journal of the American Chemical Society. 141, 33, p. 1-1 1 p., 13278.

Research output: Contribution to journalArticle

Coumarin-based fluorescent 'AND' logic gate probes for the detection of homocysteine and a chosen biological analyte

Wu, L., Gardiner, J. E., Kumawat, L. K., Han, H. H., Guo, R., Li, X., He, X. P., Elmes, R. B. P., Sedgwick, A. C., Bull, S. D. & James, T. D., 27 Aug 2019, In : RSC Advances. 9, 45, p. 26425-26428 4 p.

Research output: Contribution to journalArticle

Open Access
5 Citations (Scopus)

Counterion binding alters surfactant self-assembly in deep eutectic solvents

Sanchez-fernandez, A., Hammond, O. S., Edler, K. J., Arnold, T., Doutch, J., Dalgliesh, R. M., Li, P., Ma, K. & Jackson, A. J., 28 May 2018, In : Physical Chemistry Chemical Physics. 20, 20, p. 13952-13961 10 p.

Research output: Contribution to journalArticle

Open Access
Micelles
choline
Surface-Active Agents
eutectics
Self assembly
61 Citations (Scopus)

Counterion effects in indium-catalysed aromatic electrophilic substitution reactions

Frost, C. G., Hartley, J. P. & Griffin, D., 1 Jul 2002, In : Tetrahedron Letters. 43, 27, p. 4789-4791 3 p.

Research output: Contribution to journalArticle

Indium
Substitution reactions
Catalysts
13 Citations (Scopus)
Open Access
Effluents
Wastewater
Wastewater treatment
effluent
wastewater
2 Citations (Scopus)
80 Downloads (Pure)

Critical flux of Gum Arabic: implications for fouling and fractionation performance of membranes

Manning, H., Chong, T. H., Carr, D. & Bird, M. R., Jan 2016, In : Food and Bioproducts Processing. 97, p. 41-47

Research output: Contribution to journalArticle

Open Access
File
Gum Arabic
gum arabic
fouling
Fractionation
Fouling

Cross-flow and dead-end microfiltration of oily-water emulsion. Part I: Experimental study and analysis of flux decline

Koltuniewicz, A. B., Field, R. W. & Arnot, T., 1995, In : Journal of Membrane Science. 102, p. 193-201

Research output: Contribution to journalArticle

Microfiltration
cross flow
Emulsions
emulsions
Fluxes
103 Citations (Scopus)

Cross–flow and dead–end microfiltration of oily–water emulsion. Part II: Mechanisms and modelling of flux decline

Arnot, T., Field, R. W. & Kolutniewicz, A. B., 30 Apr 2000, In : Journal of Membrane Science. 169, 1, p. 1-15

Research output: Contribution to journalArticle

Microfiltration
cross flow
Emulsions
emulsions
fouling