School of Chemistry and Chemical Engineering

  • 39 Stranmillis Road, David Keir Building

    BT9 5AG Belfast

    United Kingdom

Research Output 1981 2020

2019
Swirling flow
Cavitation
Hydrodynamics
Orifices
Vortex flow

A Chemical-Intervention Strategy to Circumvent Peptide Hydrolysis by D-Stereoselective Peptidases

Bann, S., Ballantine, R., Li, Y-X., Qian, P-Y. & Cochrane, S., 28 Oct 2019, (Accepted) In : Journal of Medicinal Chemistry.

Research output: Contribution to journalArticle

Open Access
File
proline dipeptidase
Hydrolysis
Peptides
Anti-Bacterial Agents

A Colourimetric Vacuum Air-Pressure Indicator

Yusufu, D. & Mills, A., 21 Oct 2019, In : The Analyst. 144, 20, p. 5947-5952

Research output: Contribution to journalArticle

Air Pressure
Vacuum
atmospheric pressure
Air
Food Packaging
Open Access
File
Seaweed
Phaeophyceae
Analytical Chemistry Techniques
analytical methods
Assays
2 Citations (Scopus)

A DFT study of direct furfural conversion to 2-methylfuran on the Ru/Co 3 O 4 surface

Dong, H., Zheng, Y. & Hu, P., 21 Jan 2019, In : Physical Chemistry Chemical Physics. 21, 3, p. 1597-1605 9 p.

Research output: Contribution to journalArticle

Furaldehyde
Discrete Fourier transforms
hydrogenation
Hydrogenation
ruthenium

A General-Purpose Colourimetric Air pressure Indicator

Mills, A. & Yusufu, D., 15 Nov 2019, In : Sensors and Actuators B: Chemical.

Research output: Contribution to journalArticle

1 Citation (Scopus)

A magnetic self-contained thermochromic system with convenient temperature range

Billeci, F., Gunaratne, H. Q., D'Anna, F., Morgan, G., Seddon, K. R. & Plechkova, N., 2019, In : Green Chemistry. 21, 6, p. 1412-1416 5 p.

Research output: Contribution to journalArticle

Ionic Liquids
Ionic liquids
volatile substance
Cobalt
Polymer films

An Efficient, Full Spectrum-Driven H2 Evolution Z-Scheme Co2P/CdS Photocatalyst with Co-S Bonds

Li, N., Ding, Y., Wu, J., Zhao, Z., Li, X., Zheng, Y-Z., Huang, M. & Tao, X., 04 Jun 2019, In : ACS Applied Materials and Interfaces.

Research output: Contribution to journalArticle

Open Access
File
Photocatalysts
Precious metals
Charge carriers
Reaction rates
Density functional theory
2 Citations (Scopus)
Open Access
File
Light emitting diodes
Irradiation
Degradation
Acids
2-Methyl-4-chlorophenoxyacetic Acid
4 Citations (Scopus)

A one-pot method for building colloidal nanoparticles into bulk dry powders with nanoscale magnetic, plasmonic and catalytic functionalities

Ye, Z., Li, C., Skillen, N., Xu, Y., McCabe, H., Kelly, J., Robertson, P. & Bell, S., 15 Mar 2019, In : Applied Materials Today. 15, Special Issue Plasmonics, p. 398-404

Research output: Contribution to journalArticle

Powders
Nanoparticles
Polymers
Particles (particulate matter)
Colloids

Aqueous Biphasic Systems Formed in (Zwitterionic Salt + Inorganic Salt) Mixtures

Mills, J., Level, G., Mangwandi, C. & Blesic, M., 2019, In : Pure and Applied Chemistry .

Research output: Contribution to journalArticle

Salts
Amino acids
Eugenol
Ionic Liquids
Phase behavior

Arene-polyfluoroarene π-π stacking between N-heterocyclic carbene ligands of pentamethylcyclopentadienyl group 9 metal complexes

Lockley, A. J., Marr, A. C., Saunders, G. C. & Thomas, H. P., 25 Jan 2019, In : Journal of Fluorine Chemistry.

Research output: Contribution to journalArticle

Coordination Complexes
carbenes
Hydrogen Bonding
stacking
ligand

Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution

Cen, Y., Singh, W., Arkin, M., Moody, T. S., Huang, M., Zhou, J., Wu, Q. & Reetz, M. T., 19 Jul 2019, In : Nature Communications. 10, 10 p., 3198 .

Research output: Contribution to journalArticle

Open Access
File
cysteine
Lipase
Cysteine
enzymes
Antarctic regions

A Smart Adhesive 'Consume Within' (CW) Indicator for Food Packaging

Mills, A., Yusufu, D. & Wang, C., 16 Sep 2019, In : Food Packing and Shelf Life. 22

Research output: Contribution to journalArticle

Food Packaging
food packaging
adhesives
Adhesives
Packaging

Assessment of the energy recovery potential of waste Photovoltaic (PV) modules

Farrell, C., Osman, A. I., Zhang, X., Murphy, A., Doherty, R., Morgan, K., Rooney, D. W., Harrison, J., Coulter, R. & Shen, D., 01 Dec 2019, In : Scientific Reports. 9, 13 p., 5267.

Research output: Contribution to journalArticle

Open Access
File
Recovery
Polymers
Pyrolysis
Crystalline materials
Silicon

Assignment of excited-state bond lengths using branching-ratio measurements:The B$^2\Sigma^+$ state of BaH molecules

Lane, I., Moore, K., McNally, R. & Zelevinsky, T., 15 Jul 2019, (Accepted) In : Physical Review A - Atomic, Molecular, and Optical Physics. 100, 02, 14 p., 022506.

Research output: Contribution to journalArticle

laser cooling
life (durability)
excitation
molecules
estimating

Bisphosphonate ligand mediated ultrasensitive capacitive protein sensor: complementary match of supramolecular and dynamic chemistry

Ertürk, G., Akhoundian, M., Lueg-Althoff, K., Shinde, S., Yeung, S. Y., Hedström, M., Schrader, T., Mattiasson, B. & Sellergren, B., 14 Jan 2019, In : New journal of chemistry. 43, 2, p. 847-852 6 p.

Research output: Contribution to journalArticle

Arginine
Diphosphonates
Trypsin
Monomers
Ligands

Carbon nanotubes (CNTs) production from catalytic pyrolysis of waste plastics: The influence of catalyst and reaction pressure

Wang, J., Shen, B., Lan, M., Kang, D. & Wu, C., 28 Jan 2019, In : Catalysis Today.

Research output: Contribution to journalReview article

Carbon Nanotubes
Carbon nanotubes
Pyrolysis
Plastics
Catalysts

Catalysing and Characterising Transition EPA Research Report 287

Ellis, G., Hume, T., Barry, J. & Curry, R., 30 Sep 2019, Environmental Protection Agency. 50 p. (EPA Research Reports)

Research output: Book/ReportCommissioned report

Open Access
File
Environmental Protection Agency
Sustainable development
sustainability
niche
innovation

Catalytic and biophysical investigation of rhodium hydroformylase

Imam, H. T., Jarvis, A., Celorrio, V., Baig, I., Allen, C., Marr, A. & Kamer, P., 16 Oct 2019, In : CATALYSIS SCIENCE & TECHNOLOGY.

Research output: Contribution to journalArticle

Rhodium
Hydroformylation
Methionine
Catalysts
Nuclear magnetic resonance spectroscopy
1 Citation (Scopus)

Catalytic Mechanism of Mevalonate Kinase Revisited, a QM/MM Study

McClory, J., Lin, J., Timson, D., Zhang, J. & Huang, M., 07 Mar 2019, In : Organic and Biomolecular Chemistry. 9, p. 2423-2431

Research output: Contribution to journalArticle

mevalonate kinase
adenosine triphosphate
Mevalonic Acid
Adenosine Triphosphate
Biofuels

CFD in Chemical Engineering: Process Design Symposium at the 10th World Congress of Chemical Engineering (WCCE10)

Nunhez, J. R., Derksen, J. J. & Ranade, V. V., 01 Feb 2019, In : Canadian Journal of Chemical Engineering. 97, 2, p. 442-443 2 p.

Research output: Contribution to journalEditorial

Open Access
File
Catalytic converters
Exhaust gases
Internal combustion engines
Gas mixtures
Ethanol
2 Citations (Scopus)

cis‐Dihydroxylation of Tricyclic Arenes and Heteroarenes Catalyzed by Toluene Dioxygenase: A Molecular Docking Study and Experimental Validation

Boyd, D., Sharma, N. D., Brannigan, I., McGivern, C., Nockemann, P., Stevenson, P., McRoberts, C., Hoering, P. & Allen, C. C. R., 18 Mar 2019, In : Advanced Synthesis & Catalysis.

Research output: Contribution to journalArticle

Metabolites
Phenol
Derivatives
Dioxygenases
X ray crystallography

Co(OH)2/BiVO4 photoanode in tandem with a carbon-based perovskite solar cell for solar-driven overall water splitting

Li, X., Li, N., Jia, M., Lu, Y., Zheng, Y-Z., Tao, X. & Huang, M., 01 Nov 2019, In : Electrochimica Acta.

Research output: Contribution to journalArticle

Carbon
Water
Photocurrents
Impregnation
Sun

CO-free Enantioselective Hydroformylation of Functionalised Alkenes: Using a Dual Catalyst System to Give Improved Selectivity and Yield

Pittaway, R., Dingwall, P., Fuentes, J. A. & Clarke, M. L., 17 Sep 2019, In : Advanced Synthesis and Catalysis. 361, 18, p. 4334-4341

Research output: Contribution to journalArticle

Hydroformylation
Catalyst selectivity
Alkenes
Carbon Monoxide
Olefins
8 Citations (Scopus)

Colourimetric plastic film indicator for the detection of the volatile basic nitrogen compounds associated with fish spoilage

Wells, N., Yusufu, D. & Mills, A., 01 Mar 2019, In : Talanta. 194, p. 830-836 7 p.

Research output: Contribution to journalArticle

Open Access
File
Spoilage
Nitrogen Compounds
Plastic films
Fish
Plastics

Combined spatially resolved operando spectroscopy: New insights into kinetic oscillations of CO oxidation on Pd/Γ-Al 2 O 3

Dann, E. K., Gibson, E. K., Catlow, C. R. A., Celorrio, V., Collier, P., Eralp, T., Amboage, M., Hardacre, C., Stere, C., Kroner, A., Raj, A., Rogers, S., Goguet, A. & Wells, P. P., 01 May 2019, In : Journal of Catalysis. 373, p. 201-208 8 p.

Research output: Contribution to journalArticle

Open Access
File
Carbon Monoxide
Spectroscopy
catalysts
Oxidation
oscillations
2 Citations (Scopus)

Combining MCR-ALS and EXAFS as tools for speciation of highly chlorinated chromium(iii) in mixtures of deep eutectic solvents and water

Verdonck, T., Verpoort, P., De Strycker, J., De Cleene, A., Banerjee, D., Nockemann, P., Van Deun, R. & Van Hecke, K., 21 Feb 2019, In : Dalton transactions (Cambridge, England : 2003). 48, 7, p. 2318-2327 10 p.

Research output: Contribution to journalArticle

Chromium
Eutectics
Water
Metal ions
Ionic Liquids

Computational Modeling of Underground Coal Gasification

Ranade, V., Mahajani, S. & Samdani, G., 15 Jul 2019, CRC Press.

Research output: Book/ReportBook

1 Citation (Scopus)

Conversion of haloform to carbonate by iridium N-heterocyclic carbene complexes and silver(I) oxide

Marr, A. C., Morgan, P. J., Saunders, G. C. & Thomas, H. P., 08 Jan 2019, In : Dalton Transactions.

Research output: Contribution to journalArticle

Iridium
Halogens
Carbonates
Silver
Oxides

Current diagnostic and prognostic methods used in offshore wind operations and maintenance

Mitchell, J., Foley, A., Johnston, B., Doran, J. & Morrow, D., Oct 2019.

Research output: Contribution to conferencePaper

Customizing the Enantioselectivity of a Cyclohexanone Monooxygenase by a Strategy Combining “Size-probes” with in silico Study

Hu, Y., Xu, J., Cen, Y., Li, D., Zhang, Y., Huang, M., Lin, X. & Wu, Q., 25 Aug 2019, In : CHEMCATCHEM.

Research output: Contribution to journalArticle

Cyclohexanones
Enantioselectivity
engineering
Molecular oxygen
probes
1 Citation (Scopus)

Dataset demonstrating the working-principles of surface-exposed nanoparticle sheet enhanced Raman spectroscopy (SENSERS) for solvent-free SERS

Li, C., Chen, Q., McCabe, H., Kelly, J., Ye, Z., Xu, Y. & Bell, S. E. J., 01 Apr 2019, In : Data in brief. 23, 11 p., 103746.

Research output: Contribution to journalArticle

Open Access
File
Raman spectroscopy
Nanoparticles
Scanning electron microscopy
Skin
Microstructure
1 Citation (Scopus)

Dataset on constructing colloidal nanoparticles into dry nano-micro-particle (NMP) powders with nanoscale magnetic, plasmonic and catalytic functionalities

Chen, Q., Ye, Z., Li, C., McCabe, H., Kelly, J., Xu, Y. & Bell, S., 24 Jun 2019, In : Data in brief. 25, p. 1-8 103928.

Research output: Contribution to journalArticle

Open Access
File
Hydrophobicity
Nanoparticles
Powders
Angle measurement
Contact angle
5 Citations (Scopus)

Development of Ca/KIT-6 adsorbents for high temperature CO2 capture

Sun, H., Parlett, C. M. A., Isaacs, M. A., Liu, X., Adwek, G., Wang, J., Shen, B., Huang, J. & Wu, C., 01 Jan 2019, In : Fuel. 235, p. 1070-1076 7 p.

Research output: Contribution to journalArticle

Open Access
File
Adsorbents
Carbon capture
Carbonation
Silicon Dioxide
Calcination

Development of teawaste based biosorbent materials for removal of heavy metals from wastewater

Wu, J., Chen, H. & Mangwandi, C., Jun 2019.

Research output: Contribution to conferencePaper

Heavy Metals
Wastewater
Sorbents
Adsorption
Functional groups

DFT study of furfural conversion on a Re/Pt bimetallic surface; Synergetic effect on the promotion of hydrodeoxygenation

Dong, H., Zheng, Y. & Hu, P., 28 Apr 2019, In : Physical Chemistry Chemical Physics. 21, 16, p. 8384-8393 10 p.

Research output: Contribution to journalArticle

Furaldehyde
promotion
Hydrogenation
hydrogenation
Density functional theory

Dissecting the binding interactions of teixobactin with the bacterial cell wall precursor lipid II

Chiorean, S., Antwi, I., Carney, D., Kotsogianni, I., Giltrap, A., Alexander, F. M., Cochrane, S. A., Payne, R., Martin, N., Henninot, A. & Vederas, J., 24 Sep 2019, In : ChemBioChem. 6 p.

Research output: Contribution to journalArticle

Cell Wall
Cells
Peptides
Gram-Negative Bacteria
Bacteria

Dynamic origins of substrate promiscuity in bacterial galactokinases

McAuley, M., Huang, M. & Timson, D. J., 17 Oct 2019, In : Carbohydrate Research.

Research output: Contribution to journalArticle

Substrates
Enzymes
Escherichia coli
Sugars
Galactokinase
1 Citation (Scopus)

Effect of pre-treatment and calcination temperature on Al2O3-ZrO2 supported Ni-Co catalysts for dry reforming of methane

Al-Fatesh, A., Abu-Dahrieh, J., Atia, H., Armbruster, U., Ibrahim, A. A., Khan, W., Abasaeed, A. & Fakeeha, A. H., 04 Jul 2019, In : International Journal of Hydrogen Energy. 44, 39, p. 21546-21558 13 p.

Research output: Contribution to journalArticle

Open Access
File
Reforming reactions
pretreatment
Calcination
roasting
Methane

Effect of swing on removing CO2 from offshore natural gas by adsorption

Chen, S., Tian, M., Tao, Z., Fu, Y., Wang, Y., Liu, Y. & Xiao, B., 21 Sep 2019, In : Chemical Engineering Journal. 382, 11 p., 122932.

Research output: Contribution to journalArticle

Natural gas
Adsorption
Purification
Gas mixtures
Adsorbents

Electrosprayed cysteine-functionalized degradable amphiphilic block copolymer microparticles for low pH-triggered drug delivery

Finnegan, M., Mallon, G., Leach, A. & Themistou, E., 14 Nov 2019, In : Polymer Chemistry. 10, p. 5814-5820

Research output: Contribution to journalArticle

Drug delivery
Sulfhydryl Compounds
Block copolymers
Cysteine
Ring opening polymerization

Esterification of Glycerol with Acetic Acid Using Nitrogen-Based Brønsted-Acidic Ionic Liquids

Keogh, J., Tiwari, M. S. & Manyar, H., 18 Sep 2019, In : Industrial and Engineering Chemistry Research. 58, 37, p. 17235-17243 9 p.

Research output: Contribution to journalArticle

Triacetin
Ionic Liquids
Esterification
Glycerol
Ionic liquids
3 Citations (Scopus)

Ethanol steam reforming on Ni/CaO catalysts for coproduction of hydrogen and carbon nanotubes

Quan, C., Gao, N., Wang, H., Sun, H., Wu, C., Wang, X. & Ma, Z., 07 Jan 2019, In : International Journal of Energy Research.

Research output: Contribution to journalArticle

Steam reforming
Carbon nanotubes
Ethanol
Sol-gels
Hydrogen

EVALUATION OF BIOMASS GRANULES AS ADSORBENTS FOR REMOVAL OF HEAVY METALS AND DYES

Jaiyeola, O. O., Chen, H. & Mangwandi, C., Jun 2019.

Research output: Contribution to conferencePaper

1 Citation (Scopus)

Evidence of the O-Pd-O and Pd-O 4 structure units as oxide seeds and their origin on Pd(211): Revealing the mechanism of surface oxide formation

Cheng, X., Wang, Z., Mao, Y. & Hu, P., 28 Mar 2019, In : Physical Chemistry Chemical Physics. 21, 12, p. 6499-6505 7 p.

Research output: Contribution to journalArticle

Oxides
Seed
seeds
oxides
Metals

Extruded phosphorescence based oxygen sensors for large-scale packaging applications

Kelly, C., Yusufu, D., Okkelman, I., Banerjee, S., Mills, A., Papkovsky, D. & Kerry, J. P., 01 Nov 2019, In : SENSORS AND ACTUATORS B-CHEMICAL.

Research output: Contribution to journalArticle

Oxygen sensors
Phosphorescence
phosphorescence
packaging
Packaging