All Outputs (169)

An enantiopure cyclometallated iridium complex displaying long-lived phosphorescence both in solution and in the solid state (2019)
Journal Article
Crassous, J., Macé, A., Hellou, N., Hammoud, J., Martin, C., Nasser, G., …Carboni, B. (2019). An enantiopure cyclometallated iridium complex displaying long-lived phosphorescence both in solution and in the solid state. Helvetica Chimica Acta, 102(4), https://doi.org/10.1002/hlca.201900044

A new enantiopure cyclometallated iridium complex bearing a [4]helicenic :C^C– and two :N^C– dfppy (2‐(2,4‐difluorophenyl)‐pyridyl) ligands was prepared. This complex revealed a long‐lived phosphorescence both in solution and in the solid state. Its... Read More about An enantiopure cyclometallated iridium complex displaying long-lived phosphorescence both in solution and in the solid state.

A ‘catch-and-release’ receptor for the cholera toxin (2019)
Journal Article
Mahon, C. S., Wildsmith, G. C., Haksar, D., de Poel, E., Beekman, J. M., Pieters, R. J., …Turnbull, W. B. (2019). A ‘catch-and-release’ receptor for the cholera toxin. Faraday Discussions, 219, 112-127. https://doi.org/10.1039/c9fd00017h

Stimuli-responsive receptors for the recognition unit of the cholera toxin (CTB) have been prepared by attaching multiple copies of its natural carbohydrate ligand, the GM1 oligosaccharide, to a thermoresponsive polymer scaffold. Below their lower cr... Read More about A ‘catch-and-release’ receptor for the cholera toxin.

Regioselective Functionalization of 7‐Azaindole by Controlled Annular Isomerism: The Directed Metalation‐Group Dance (2019)
Journal Article
Snieckus, V., Patel, J., Kitching, M., Dalziel, M., Cosman, J., & Kaye, M. (2019). Regioselective Functionalization of 7‐Azaindole by Controlled Annular Isomerism: The Directed Metalation‐Group Dance. Angewandte Chemie, 131(22), 7391-7395. https://doi.org/10.1002/ange.201901724

The regioselective functionalization of 7‐azaindole by controlled annular directed metalation group isomerism is reported. The N‐7 carbamoyl azaindoles 2a–b undergo regioselective metalation and electrophile quench to furnish C‐6 substituted derivati... Read More about Regioselective Functionalization of 7‐Azaindole by Controlled Annular Isomerism: The Directed Metalation‐Group Dance.

Steering the outcome of a photochemical reaction - an in silico experiment on the H2CSO sulfine using few-femtosecond dump pulses (2019)
Journal Article
Mignolet, B., & Curchod, B. F. (2019). Steering the outcome of a photochemical reaction - an in silico experiment on the H2CSO sulfine using few-femtosecond dump pulses. The Journal of Chemical Physics, 150(10), Article 101101. https://doi.org/10.1063/1.5089124

We propose a pump-dump control scheme using sub-10 fs pulses to enhance the photochemical formation of the three-membered C–S–O ring oxathiirane from the parent H2CSO sulfine molecule. The ultrashort nature of the pulses is essential to promptly alte... Read More about Steering the outcome of a photochemical reaction - an in silico experiment on the H2CSO sulfine using few-femtosecond dump pulses.

Monometallic and bimetallic catalysts based on Pd, Cu and Ni for hydrogen transfer deoxygenation of a prototypical fatty acid to diesel range hydrocarbons (2019)
Journal Article
Cheah, K. W., Taylor, M. J., Osatiashtiani, A., Beaumont, S. K., Nowakowski, D. J., Yusup, S., …Kyriakou, G. (2020). Monometallic and bimetallic catalysts based on Pd, Cu and Ni for hydrogen transfer deoxygenation of a prototypical fatty acid to diesel range hydrocarbons. Catalysis Today, 355, 882-892. https://doi.org/10.1016/j.cattod.2019.03.017

Bimetallic PdxNi(100-x) and PdxCu(100-x) structures of a wide compositional range supported on activated carbon were synthesised via a simple, cheap and commercially relevant method. The surface and bulk properties of both the bimetallic structures a... Read More about Monometallic and bimetallic catalysts based on Pd, Cu and Ni for hydrogen transfer deoxygenation of a prototypical fatty acid to diesel range hydrocarbons.

BOUND and FIELD: Programs for calculating bound states of interacting pairs of atoms and molecules (2019)
Journal Article
Hutson, J. M., & Le Sueur, C. R. (2019). BOUND and FIELD: Programs for calculating bound states of interacting pairs of atoms and molecules. Computer Physics Communications, 241, 1-8. https://doi.org/10.1016/j.cpc.2019.02.017

The bound program calculates the bound states of a complex formed from two interacting particles using coupled-channel methods. It is particularly suitable for the bound states of atom–molecule and molecule–molecule van der Waals complexes and for th... Read More about BOUND and FIELD: Programs for calculating bound states of interacting pairs of atoms and molecules.

Exploring ultraviolet photoinduced charge-transfer dynamics in a model dinucleotide of guanine and thymine (2019)
Journal Article
Duchi, M., O'Hagan, M., Kumar, R., Bennie, S., Galan, M. C., Curchod, B. F., & Oliver, T. (2019). Exploring ultraviolet photoinduced charge-transfer dynamics in a model dinucleotide of guanine and thymine. Physical Chemistry Chemical Physics, 21(26), 14407-14417. https://doi.org/10.1039/c8cp07864e

An understanding of the initial photoexcited states of DNA is essential to unravelling deleterious photoinduced chemical reactions and the intrinsic ultrafast photoprotection of the genetic code for all life. In our combined experimental and theoreti... Read More about Exploring ultraviolet photoinduced charge-transfer dynamics in a model dinucleotide of guanine and thymine.

MOLSCAT: A program for non-reactive quantum scattering calculations on atomic and molecular collisions (2019)
Journal Article
Hutson, J. M., & Le Sueur, C. R. (2019). MOLSCAT: A program for non-reactive quantum scattering calculations on atomic and molecular collisions. Computer Physics Communications, 241, 9-18. https://doi.org/10.1016/j.cpc.2019.02.014

molscat is a general-purpose program for quantum-mechanical calculations on nonreactive atom– atom, atom–molecule and molecule–molecule collisions. It constructs the coupled-channel equations of atomic and molecular scattering theory, and solves them... Read More about MOLSCAT: A program for non-reactive quantum scattering calculations on atomic and molecular collisions.

Almost complete radiationless energy transfer from excited triplet state of a dim phosphor to a covalently linked adjacent fluorescent dye in purely organic tandem luminophores doped into PVA matrix (2019)
Journal Article
Jõgela, J., Uri, A., Pålsson, L., & Enkvist, E. (2019). Almost complete radiationless energy transfer from excited triplet state of a dim phosphor to a covalently linked adjacent fluorescent dye in purely organic tandem luminophores doped into PVA matrix. Journal of Materials Chemistry C Materials for optical and electronic devices, 7(22), 6571-6577. https://doi.org/10.1039/c8tc05325a

In solid PVA matrix some thiophene- and selenophene-comprising heteroaromatic compounds reveal moderate room temperature phosphorescence with emission peaks between 550 and 600 nm and possessing lifetime in millisecond range upon excitation with near... Read More about Almost complete radiationless energy transfer from excited triplet state of a dim phosphor to a covalently linked adjacent fluorescent dye in purely organic tandem luminophores doped into PVA matrix.

Palladium-catalysed ligand-free reductive Heck cycloisomerisation of 1,6-en-α-chloro-enamides (2019)
Journal Article
Hou, Y., Ma, J., Yang, H., Anderson, E. A., Whiting, A., & Wu, N. (2019). Palladium-catalysed ligand-free reductive Heck cycloisomerisation of 1,6-en-α-chloro-enamides. Chemical Communications, 55(26), 3733-3736. https://doi.org/10.1039/c9cc00537d

Braiding, branching and chiral amplification of nanofibres in supramolecular gels (2019)
Journal Article
Jones, C. D., Simmons, H. T., Horner, K. E., Liu, K., Thompson, R. L., & Steed, J. W. (2019). Braiding, branching and chiral amplification of nanofibres in supramolecular gels. Nature Chemistry, 11, 375-381. https://doi.org/10.1038/s41557-019-0222-0

Helical nanofibres play key roles in many biological processes. Entanglements between helices can aid gelation by producing thick, interconnected fibres, but the details of this process are poorly understood. Here, we describe the assembly of an achi... Read More about Braiding, branching and chiral amplification of nanofibres in supramolecular gels.

Using Nature’s polyenes as templates: Studies of synthetic xanthomonadin analogues and realising their potential as antioxidants (2019)
Journal Article
Madden, K. S., Jokhoo, H., Conradi, F., Knowles, J., Mullineaux, C., & Whiting, A. (2019). Using Nature’s polyenes as templates: Studies of synthetic xanthomonadin analogues and realising their potential as antioxidants. Organic and Biomolecular Chemistry, 17(15), 3752-3759. https://doi.org/10.1039/c9ob00275h

Two truncated analogues of the polyenyl photoprotective xanthomonadin pigments have been synthesised utilising an iterative Heck-Mizoroki/iododeboronation cross coupling approach and investigated as models of the natural products as photoprotective a... Read More about Using Nature’s polyenes as templates: Studies of synthetic xanthomonadin analogues and realising their potential as antioxidants.

Selectivity in Electron Attachment to Water Clusters (2019)
Journal Article
Lietard, A., & Verlet, J. R. (2019). Selectivity in Electron Attachment to Water Clusters. Journal of Physical Chemistry Letters, 10(6), 1180-1184. https://doi.org/10.1021/acs.jpclett.9b00275

Electron attachment onto water clusters to form water cluster anions is studied by varying the point of electron attachment along a molecular beam axis and probing the produced cluster anions using photoelectron spectroscopy. The results show that th... Read More about Selectivity in Electron Attachment to Water Clusters.

Polymer extrudate-swell: From monodisperse melts to polydispersity and flow-induced reduction in monomer friction (2019)
Journal Article
Robertson, B., Thompson, R. L., McLeish, T. C., & Robinson, I. (2019). Polymer extrudate-swell: From monodisperse melts to polydispersity and flow-induced reduction in monomer friction. Journal of Rheology, 63(2), 319-333. https://doi.org/10.1122/1.5058207

This paper describes finite-element simulations and associated experimental studies of extrudate swell for near-monodisperse and polydisperse polystyrenes. The tube-model based Rolie-Poly constitutive model, when extended to include a reduction of mo... Read More about Polymer extrudate-swell: From monodisperse melts to polydispersity and flow-induced reduction in monomer friction.

Identification of Novel Benzoxa-[2,1,3]-diazole Substituted Amino Acid Hydrazides as Potential Anti-Tubercular Agents (2019)
Journal Article
Brown, A., Aljohani, A., Gill, J., Steel, P., & Sellars, J. (2019). Identification of Novel Benzoxa-[2,1,3]-diazole Substituted Amino Acid Hydrazides as Potential Anti-Tubercular Agents. Molecules, 24(4), Article 811. https://doi.org/10.3390/molecules24040811

Discovery and development of new therapeutic options for the treatment of Mycobacterium tuberculosis (Mtb) infection are desperately needed to tackle the continuing global burden of this disease and the efficacy and cost limitations associated with c... Read More about Identification of Novel Benzoxa-[2,1,3]-diazole Substituted Amino Acid Hydrazides as Potential Anti-Tubercular Agents.

Decoupling a novel Trichormus variabilis-Synechocystis sp. interaction to boost phycoremediation (2019)
Journal Article
Abedi, S., Astaraei, F. R., Ghobadian, B., Tavakoli, O., Jalili, H., Greenwell, H. C., …Chivasa, S. (2019). Decoupling a novel Trichormus variabilis-Synechocystis sp. interaction to boost phycoremediation. Scientific Reports, 9, Article 2511. https://doi.org/10.1038/s41598-019-38997-7

To conserve freshwater resources, domestic and industrial wastewater is recycled. Algal systems have emerged as an efficient, low-cost option for treatment (phycoremediation) of nutrient-rich wastewater and environmental protection. However, industri... Read More about Decoupling a novel Trichormus variabilis-Synechocystis sp. interaction to boost phycoremediation.

Holographic projection for multi-spot structured illumination microscopy (2019)
Journal Article
Ward, E., & Pal, R. (2019). Holographic projection for multi-spot structured illumination microscopy. Journal of Microscopy, 274(2), 114-120. https://doi.org/10.1111/jmi.12787

This paper describes the design and testing of a multi‐spot structured illumination microscopy system using computer‐generated holograms to create the required excitation patterns. Furthermore, it demonstrates the use of an adapted direct search algo... Read More about Holographic projection for multi-spot structured illumination microscopy.

Lewis acid promoted fluorine-alkoxy group exchange reactions for the synthesis of 5-alkoxy-4,4-difluoroisoxazoline systems (2019)
Journal Article
Sato, K., Sandford, G., Konishi, Y., Yanada, N., Toda, C., Tarui, A., & Omote, M. (2019). Lewis acid promoted fluorine-alkoxy group exchange reactions for the synthesis of 5-alkoxy-4,4-difluoroisoxazoline systems. Organic and Biomolecular Chemistry, 17(10), 2818-2823. https://doi.org/10.1039/c9ob00097f

Fluorine-alkoxy group exchange reactions of fluorinated isoxazoline derivatives promoted by Lewis acids to give various 5-alkoxylated 4,4-difluoroisoxazolines via SN1 type processes in good to excellent yields are reported. Sterically demanding pheno... Read More about Lewis acid promoted fluorine-alkoxy group exchange reactions for the synthesis of 5-alkoxy-4,4-difluoroisoxazoline systems.

A Gadolinium Spin Label with Both a Narrow Central Transition and Short Tether for Use in Double Electron Electron Resonance Distance Measurements (2019)
Journal Article
Shah, A., Roux, A., Starck, M., Mosely, J. A., Stevens, M., Norman, D. G., Hunter, R. I., El Mkami, H., Smith, G. M., Parker, D., & Lovett, J. E. (2019). A Gadolinium Spin Label with Both a Narrow Central Transition and Short Tether for Use in Double Electron Electron Resonance Distance Measurements. Inorganic Chemistry, 58(5), 3015-3025. https://doi.org/10.1021/acs.inorgchem.8b02892

The design, synthesis, and application of a nine-coordinate gadolinium(III)-containing spin label, [Gd.sTPATCN]-SL, for use in nanometer-distance measurement experiments by EPR spectroscopy is presented. The spin label links to cysteines via a short... Read More about A Gadolinium Spin Label with Both a Narrow Central Transition and Short Tether for Use in Double Electron Electron Resonance Distance Measurements.

On the Mechanism of Phenolate Photo-Oxidation in Aqueous Solution (2019)
Journal Article
Tyson, A. L., & Verlet, J. R. (2019). On the Mechanism of Phenolate Photo-Oxidation in Aqueous Solution. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 123(10), 2373-2379. https://doi.org/10.1021/acs.jpcb.8b11766

The photo-oxidation dynamics following ultraviolet (257 nm) excitation of the phenolate anion in aqueous solution is studied using broadband (550–950 nm) transient absorption spectroscopy. A clear signature from electron ejection is observed on a sub... Read More about On the Mechanism of Phenolate Photo-Oxidation in Aqueous Solution.