Research Repository

See what's under the surface


Halofrax volcanii as immobilised whole cell biocatalyst: new applications for halophilic systems (2019)
Journal Article
Haque, R., Paradisi, F., & Allers, T. (2019). Halofrax volcanii as immobilised whole cell biocatalyst: new applications for halophilic systems. Applied Microbiology and Biotechnology, doi:10.1007/s00253-019-09725-y

Enzyme-mediated synthesis of pharmaceutical compounds is a ‘green’ alternative to traditional synthetic chemistry, and microbial engineering opens up the possibility of using whole cells as mini-factories. Whole-cell biocatalysis reduces cost by elim... Read More

Molybdenum dioxide in carbon nanoreactors as a catalytic nanosponge for the efficient desulfurization of liquid fuels (2019)
Journal Article
Astle, M. A., Rance, G. A., Loughlin, H. J., Peters, T. D., & Khlobystov, A. N. (2019). Molybdenum dioxide in carbon nanoreactors as a catalytic nanosponge for the efficient desulfurization of liquid fuels. Advanced Functional Materials, doi:10.1002/adfm.201808092

The principle of a “catalytic nanosponge” that combines the catalysis of organosulfur oxidation and sequestration of the products from reaction mixtures is demonstrated. Group VI metal oxide nanoparticles (CrOx, MoOx, WOx) are embedded within hollow... Read More

Identification of bio-oil compound utilizing yeasts through phenotypic microarray screening (2019)
Journal Article
Kostas, E. T., Cooper, M., Shepherd, B. J., & Robinson, J. P. (2019). Identification of bio-oil compound utilizing yeasts through phenotypic microarray screening. Waste and Biomass Valorization, 1-13. doi:10.1007/s12649-019-00636-7

Biomass pyrolysis bio-oil contains a plethora of carbon sources with the potential to be utilized by microorganisms and converted into high value products. However, the majority of these compounds are either highly toxic to microorganisms or are not... Read More

Unequivocal experimental evidence of the relationship between emission energies and aurophilic interactions (2019)
Journal Article
Blake, A. J., Donamaría, R., Lippolis, V., López-de-Luzuriaga, J. M., Monge, M., Olmos, M. E., …Weinstein, J. A. (2019). Unequivocal experimental evidence of the relationship between emission energies and aurophilic interactions. Inorganic Chemistry, doi:10.1021/acs.inorgchem.8b03621

In this paper we describe experimental evidence of the change in emission energy as a function of gold-gold distance. We have employed a luminescent complex exhibiting an aurophilic interaction, which is weak enough to allow its length to be modifie... Read More

Steric and electronic control of 1,3-dipolar cycloaddition reactions in carbon nanotube nanoreactors (2019)
Journal Article
Miners, S. A., Fay, M. W., Baldoni, M., Besley, E., Khlobystov, A. N., & Rance, G. A. (2019). Steric and electronic control of 1,3-dipolar cycloaddition reactions in carbon nanotube nanoreactors. Journal of Physical Chemistry C, 123(10), 6294-6302. doi:10.1021/acs.jpcc.9b01190

The use of single-walled carbon nanotubes as effective nanoreactors for preparative bimolecular reactions has been demonstrated for the first time. We show that the extreme spatial confinement of guest reactant molecules inside host carbon nanotubes... Read More

A Brønsted ligand molecular switch with five accessible states (2019)
Journal Article
Shiga, T., Saiki, R., Akiyama, L., Kumai, R., Natke, D., Renz, F., …Oshio, H. (2019). A Brønsted ligand molecular switch with five accessible states. Angewandte Chemie International Edition, doi:10.1002/anie.201900909

A mononuclear Fe(II) complex, prepared with a Brønsted diacid ligand, H2L (H2L = 2-[5-phenyl-1H-pyrazole-3-yl] 6benzimidazole pyridine), shows switchable physical properties and was isolated in five different electronic states. The spin crossover (SC... Read More

Three dimensional nanoscale analysis reveals aperiodic mesopores in a covalent organic framework and conjugated microporous polymer (2019)
Journal Article
Stoppiello, C. T., Isla, H., Martínez-Abadía, M., Fay, M. W., Parmenter, C. D. J., Roe, M. J., …Khlobystov, A. N. (2019). Three dimensional nanoscale analysis reveals aperiodic mesopores in a covalent organic framework and conjugated microporous polymer. Nanoscale, 11(6), 2848-2854. doi:10.1039/c8nr10086a

The integrated analytical approach developed in this study offers a powerful methodology for the structural characterization of complex molecular nanomaterials. Structures of a covalent organic framework based on boronate esters (COF-5) and a conjuga... Read More

On the real catalytically active species for CO2 fixation into cyclic carbonates under near ambient conditions: dissociation equilibrium of [BMIm][Fe(NO)2Cl2] dependant on reaction temperature (2018)
Journal Article
Leu, M. K., Vicente, I., Fernandes, J. A., de Pedro, I., Dupont, J., Sans, V., …Cano, I. (2019). On the real catalytically active species for CO2 fixation into cyclic carbonates under near ambient conditions: dissociation equilibrium of [BMIm][Fe(NO)2Cl2] dependant on reaction temperature. Applied Catalysis B: Environmental, 245, 240-250. doi:10.1016/j.apcatb.2018.12.062

An imidazolium based iron-containing ionic liquid [BMIm][Fe(NO)2Cl2] (BMIm = 1-n-butyl-3-methyl-imidazolium) has been synthesized for the first time and fully characterized employing a wide range of techniques. The iron-based containing ionic liquid... Read More

Synthesis of methacrylate-terminated block copolymers with reduced transesterification by controlled ring-opening polymerization (2018)
Journal Article
Ruiz-Cantu, L. A., Pearce, A. K., Burroughs, L., Bennett, T. M., Vasey, C. E., Wildman, R., …Taresco, V. (2019). Synthesis of methacrylate-terminated block copolymers with reduced transesterification by controlled ring-opening polymerization. Macromolecular Chemistry and Physics, 220(2), doi:10.1002/macp.201800459

This work presents a robust method to achieve the synthesis of low molecular weight polyesters 26 via ring-opening polymerization (ROP) initiated by 2-hydroxyethyl-methacrylate (HEMA) 27 when using triazabicyclodecene (TBD) as catalyst. The effect th... Read More

New renewably-sourced polyesters from limonene-derived monomers (2018)
Journal Article
Thomsett, M. R., Moore, J. C., Buchard, A., Stockman, R. A., & Howdle, S. M. (2019). New renewably-sourced polyesters from limonene-derived monomers. Green Chemistry, 21, 149-156. doi:10.1039/c8gc02957a

The functionalisation of limonene has enabled the synthesis of two renewably-sourced monomers for the formation of terpene-derived polyesters. Three methods for the synthesis of the novel hydroxy-acid 6 are reported and their green-credentials scruti... Read More

Clean block copolymer microparticles from supercritical CO2: universal templates for the facile and scalable fabrication of hierarchical mesostructured metal oxides (2018)
Journal Article
Bennett, T. M., He, G., Larder, R. R., Fischer, M. G., Rance, G. A., Fay, M. W., …Howdle, S. M. (2018). Clean block copolymer microparticles from supercritical CO2: universal templates for the facile and scalable fabrication of hierarchical mesostructured metal oxides. Nano Letters, doi:10.1021/acs.nanolett.8b03044

Metal oxide microparticles with well-defined internal mesostructures are promising materials for a varietyof different applications, but practical routes to such materials that allow the constituent structural length scales to be precisely tuned have... Read More

Active learning in Gaussian process interpolation of potential energy surfaces (2018)
Journal Article
Uteva, E., Graham, R. S., Wilkinson, R. D., & Wheatley, R. J. (2018). Active learning in Gaussian process interpolation of potential energy surfaces. Journal of Chemical Physics, 149(17), doi:10.1063/1.5051772

Three active learning schemes are used to generate training data for Gaussian process interpolation of intermolecular potential energy surfaces. These schemes aim to achieve the lowest predictive error using the fewest points and therefore act as an... Read More

Frost heave in freezing soils: a quasi-static model for ice lens growth (2018)
Journal Article
Ji, Y., Zhou, G., Zhou, Y., & Vandeginste, V. (2018). Frost heave in freezing soils: a quasi-static model for ice lens growth. Cold Regions Science and Technology, doi:10.1016/j.coldregions.2018.11.003

Frost heave can have a very destructive impact on infrastructure in permafrost regions. The complexity of nanoscale ice-mineral interactions and their relation to the macroscale frost heave phenomenon make ice lens growth modeling an interesting but... Read More

Strategic single point mutation yields a solvent- and salt-stable transaminase from Virgibacillus sp. in soluble form (2018)
Journal Article
Guidi, B., Planchestainer, M., Contente, M. L., Laurenzi, T., Eberini, I., Gourlay, L. J., …Molinari, F. (2018). Strategic single point mutation yields a solvent- and salt-stable transaminase from Virgibacillus sp. in soluble form. Scientific Reports, 8(1), doi:10.1038/s41598-018-34434-3

A new transaminase (VbTA) was identified from the genome of the halotolerant marine bacterium Virgibacillus 21D and its expression resulted in the production of an insoluble protein in E. coli. After a single mutation identified through sequence homo... Read More

Carboxylic acid functionalized spin-crossover iron(II) grids for tunable switching and hybrid electrode fabrication (2018)
Journal Article
Shiga, T., Sato, Y., Tachibana, M., Sato, H., Matsumoto, T., Sagayama, H., …Oshio, H. (2018). Carboxylic acid functionalized spin-crossover iron(II) grids for tunable switching and hybrid electrode fabrication. Inorganic Chemistry, doi:10.1021/acs.inorgchem.8b01856

Two carboxyl-substituted iron(II) grids, one protonated, [Fe4(HL)4](BF4)4·4MeCN·AcOEt (1), and the other deprotonated, [Fe4(L)4]·DMSO·EtOH (2), where H2L = 4-{4,5-bis[6-(3,5-dimethylpyrazol-1-yl)pyrid-2-yl]-1H-imidazol-2-yl}benzoic acid, were synthes... Read More

Sustainable synthesis and precise characterisation of bio-based star polycaprolactone synthesised with a metal catalyst and with lipase (2018)
Journal Article
Baheti, P., Gimello, O., Bouilhac, C., Lacroix-Desmazes, P., & Howdle, S. M. (2018). Sustainable synthesis and precise characterisation of bio-based star polycaprolactone synthesised with a metal catalyst and with lipase. Polymer Chemistry, 9(47), 5594-5607. doi:10.1039/c8py01266k

Bio-based building blocks and sustainable synthesis pathways were used to synthesise star-shaped polymers composed of a D-sorbitol core and polycaprolactone arms by ring opening polymerisation (ROP). The use of volatile organic solvents was avoided a... Read More

Dimers of acetic acid in helium nanodroplets (2018)
Journal Article
Davies, J. A., Hanson-Heine, M. W. D., Besley, N. A., Shirley, A., Trowers, J., Yang, S., & Ellis, A. M. (2018). Dimers of acetic acid in helium nanodroplets. Physical Chemistry Chemical Physics, doi:10.1039/c8cp05934a

The structural arrangement of small carboxylic acid molecules in the liquid phase remains a controversial topic. Some studies indicate a dominance of the cyclic dimer that prevails in the gas phase, whilst other studies favor short fragments of the i... Read More

Thionated perylene diimide–phenothiazine dyad: synthesis, structure, and electrochemical studies (2018)
Journal Article
Pearce, N., Davies, E. S., Lewis, W., & Champness, N. R. (2018). Thionated perylene diimide–phenothiazine dyad: synthesis, structure, and electrochemical studies. ACS Omega, 3(10), 14236-14244. doi:10.1021/acsomega.8b02457

Perylene diimides (PDIs) are promising candidates for n-type semiconductor materials and, thus, for use in organic electronics. Thionation of the imide moiety provides an efficient strategy to control the donor−acceptor gap of these types of compounds... Read More

Strongly coloured thiocyanate frameworks with perovskite-analogue structures (2018)
Journal Article
Cliffe, M. J., Keyzer, E. N., Dunstan, M. T., Ahmad, S., De Volder, M. F. L., Deschler, F., …Grey, C. P. (2019). Strongly coloured thiocyanate frameworks with perovskite-analogue structures. Chemical Science, 10(3), 793-801 . doi:10.1039/c8sc04082f

We report the first examples of thiocyanate-based analogues of the cyanide Prussian Blue compounds, MIII[Bi(SCN)6], M= Fe, Cr, Sc. These compounds adopt the primitive cubic pcu topology and show strict cation order. Optical absorption measurements sho... Read More