All Outputs (151)

Studies on the magnetic ground state of a spin Möbius strip (2016)
Journal Article
Newton, G., Hoshino, N., Matsumoto, T., Shiga, T., Nakano, M., Nojiri, H., …Oshio, H. (2016). Studies on the magnetic ground state of a spin Möbius strip. Chemistry - A European Journal, 22(40), 14205-14212. https://doi.org/10.1002/chem.201602439

Here we report the synthesis, structure and detailed characterisation of three n-membered oxovanadium rings, Nan[(V=O)nNan(H2O)n(α, β, or γ-CD)2]⋅mH2O (n = 6, 7, or 8), prepared by the reactions of (V=O)SO4⋅xH2O with α, β, or γ-cyclodextrins(CDs) and... Read More about Studies on the magnetic ground state of a spin Möbius strip.

Catalytically active membrane-like devices: ionic liquid-hybrid organosilicas decorated with palladium nanoparticles (2016)
Journal Article
Luza, L., Rambor, C. P., Gual, A., Bernardi, F., Domingos, J. B., Thomas, G., …Dupont, J. (in press). Catalytically active membrane-like devices: ionic liquid-hybrid organosilicas decorated with palladium nanoparticles. ACS Catalysis, 6, https://doi.org/10.1021/acscatal.6b01813

Ionic liquid (IL)-hybrid organosilicas based on 1-n-butyl-3-(3-trimethoxysilylpropyl)-imidazolium cations associated with hydrophilic and hydrophobic anions decorated with well dispersed and similar sized (1.8–2.1 nm) Pd nanoparticles (Pd-NPs) are am... Read More about Catalytically active membrane-like devices: ionic liquid-hybrid organosilicas decorated with palladium nanoparticles.

Remodeling and control of homologous recombination by DNA helicases and translocases that target recombinases and synapsis (2016)
Journal Article
Northall, S. J., Ivan?i?-Ba?e, I., Soultanas, P., & Bolt, E. L. (2016). Remodeling and control of homologous recombination by DNA helicases and translocases that target recombinases and synapsis. Genes, 7(8), 1-12. https://doi.org/10.3390/genes7080052

Recombinase enzymes catalyse invasion of single-stranded DNA (ssDNA) into homologous duplex DNA forming "Displacement loops" (D-loops), a process called synapsis. This triggers homologous recombination (HR), which can follow several possible paths to... Read More about Remodeling and control of homologous recombination by DNA helicases and translocases that target recombinases and synapsis.

Study of the Stability of 1-Alkyl-3-methylimidazolium Hexafluoroantimonate(V) Based Ionic Liquids Using X-ray Photoelectron Spectroscopy (2016)
Journal Article
Longo Jr, L. S., Smith, E. F., & Licence, P. (2016). Study of the Stability of 1-Alkyl-3-methylimidazolium Hexafluoroantimonate(V) Based Ionic Liquids Using X-ray Photoelectron Spectroscopy. ACS Sustainable Chemistry and Engineering, 4(11), 5953-5962. https://doi.org/10.1021/acssuschemeng.6b00919

A series of highly pure 1-alkyl-3-methylimidazolium hexafluoroantimonate (V) ionic liquids was firstly investigated by XPS. Reliable binding energy values for all elements within the samples were obtained by applying a C 1s fitting model previously e... Read More about Study of the Stability of 1-Alkyl-3-methylimidazolium Hexafluoroantimonate(V) Based Ionic Liquids Using X-ray Photoelectron Spectroscopy.

Probing polyoxometalate-protein interactions using molecular dynamics simulations (2016)
Journal Article
Solé-Daura, A., Goovaerts, V., Stroobants, K., Absillis, G., Jiménez-Lozano, P., Poblet, J. M., …Carbó, J. J. (2016). Probing polyoxometalate-protein interactions using molecular dynamics simulations. Chemistry - A European Journal, 22(43), 15280-15289. https://doi.org/10.1002/chem.201602263

The molecular interactions between the Ce(IV)-substituted Keggin anion [PW11O39Ce(OH2)4]3- (CeK) and hen egg white lysozyme (HEWL), was investigated by molecular dynamics (MD) simulations. We compared the analysis of CeK with the Ce(IV)-substituted... Read More about Probing polyoxometalate-protein interactions using molecular dynamics simulations.

Selective Adsorption of Sulfur Dioxide in a Robust Metal-Organic Framework Material (2016)
Journal Article
Savage, M., Cheng, Y., Easun, T. L., Eyley, J. E., Argent, S. P., Warren, M. R., …Schröder, M. (2016). Selective Adsorption of Sulfur Dioxide in a Robust Metal-Organic Framework Material. Advanced Materials, 28(39), 8705-8711. https://doi.org/10.1002/adma.201602338

Selective adsorption of SO2 is realized in a porous metal–organic framework material, and in-depth structural and spectroscopic investigations using X-rays, infrared, and neutrons define the underlying interactions that cause SO2 to bind more strongl... Read More about Selective Adsorption of Sulfur Dioxide in a Robust Metal-Organic Framework Material.

Coordination Chemistry of 2,2′-Bipyridyl- and 2,2′:6′,2″-Terpyridyl-Substituted BEDT-TTFs: Formation of a Supramolecular Capsule Motif by the Iron(II) Tris Complex of 2,2′-Bipyridine-4-thiomethyl-BEDT-TTF (2016)
Journal Article
Wang, Q., Martin, L., Blake, A. J., Day, P., Akutsu, H., & Wallis, J. D. (2016). Coordination Chemistry of 2,2′-Bipyridyl- and 2,2′:6′,2″-Terpyridyl-Substituted BEDT-TTFs: Formation of a Supramolecular Capsule Motif by the Iron(II) Tris Complex of 2,2′-Bipyridine-4-thiomethyl-BEDT-TTF. Inorganic Chemistry, 55(17), 8543-8551. https://doi.org/10.1021/acs.inorgchem.6b01101

Molecules of tris(2,2’-bipyridine-4-thiomethyl-BEDT-TTF)iron(II) (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene) assemble in pairs to form a novel supramolecular capsular structure in the solid state. Three BEDT-TTF residues from one complex lie i... Read More about Coordination Chemistry of 2,2′-Bipyridyl- and 2,2′:6′,2″-Terpyridyl-Substituted BEDT-TTFs: Formation of a Supramolecular Capsule Motif by the Iron(II) Tris Complex of 2,2′-Bipyridine-4-thiomethyl-BEDT-TTF.

Bridging the performance gap between electric double-layer capacitors and batteries with high-energy/high-power carbon nanotube-based electrodes (2016)
Journal Article
Matabosch Coromina, H., Adeniran, B., Mokaya, R., & Walsh, D. A. (2016). Bridging the performance gap between electric double-layer capacitors and batteries with high-energy/high-power carbon nanotube-based electrodes. Journal of Materials Chemistry A, 4(38), 14586-14594. https://doi.org/10.1039/c6ta05686e

Electric double-layer capacitors (EDLCs) store electrical energy at the interface between charged electrodes and electrolytes and are higher-power devices than batteries. However, the amount of energy stored in EDLCs cannot compete with that in batte... Read More about Bridging the performance gap between electric double-layer capacitors and batteries with high-energy/high-power carbon nanotube-based electrodes.

High yield and high packing density porous carbon for unprecedented CO2 capture from the first attempt at activation of air-carbonized biomass (2016)
Journal Article
Haffner-Staton, E., Balahmar, N., & Mokaya, R. (2016). High yield and high packing density porous carbon for unprecedented CO2 capture from the first attempt at activation of air-carbonized biomass. Journal of Materials Chemistry A, 4(34), 13324-13335. https://doi.org/10.1039/C6TA06407H

The first attempt at activation of air-carbonized carbon reveals unusual resistance to activation and unprecedentedly high yields (32–80 wt%) of high packing density (0.7–1.14 g cm−3) microporous carbon dominated by 5.5–7 Å pores, which are just righ... Read More about High yield and high packing density porous carbon for unprecedented CO2 capture from the first attempt at activation of air-carbonized biomass.

Synthesis, characterization and evaluation of in vitro toxicity in hepatocytes of linear polyesters with varied aromatic and aliphatic co-monomers (2016)
Journal Article
Kakde, D., Powell, L. G., Bansal, K. K., Howdle, S., Irvine, D., Mantovani, G., …Alexander, C. (2016). Synthesis, characterization and evaluation of in vitro toxicity in hepatocytes of linear polyesters with varied aromatic and aliphatic co-monomers. Journal of Controlled Release, 244(B), https://doi.org/10.1016/j.jconrel.2016.08.003

Polyesters are extensively used in drug delivery because of their controllable biodegradation properties and perceived favorable cytocompatibility. However, new ester-based materials are continually being sought which can be produced from readily acc... Read More about Synthesis, characterization and evaluation of in vitro toxicity in hepatocytes of linear polyesters with varied aromatic and aliphatic co-monomers.

Continuous flow biocatalysis: production and in-line purification of amines by immobilised transaminase from Halomonas elongata (2016)
Journal Article
Planchestainer, M., Contente, M. L., Cassidy, J., Molinari, F., Tamborini, L., & Paradisi, F. (2017). Continuous flow biocatalysis: production and in-line purification of amines by immobilised transaminase from Halomonas elongata. Green Chemistry, 19, https://doi.org/10.1039/c6gc01780k

The continuous flow synthesis of a series of amines was successfully achieved by exploiting the enhanced stability and broad substrate scope of an immobilised transaminases from Halomonas elongata (HEWT). A series of substrates were tested in flow re... Read More about Continuous flow biocatalysis: production and in-line purification of amines by immobilised transaminase from Halomonas elongata.

Understanding the kinetic and thermodynamic origins of xylene separation in UiO-66(Zr) via molecular simulation (2016)
Journal Article
Lennox, M. J., & Düren, T. (2016). Understanding the kinetic and thermodynamic origins of xylene separation in UiO-66(Zr) via molecular simulation. Journal of Physical Chemistry C, 120(33), 18651-18658. https://doi.org/10.1021/acs.jpcc.6b06148

Xylene isomers are precursors in many important chemical processes, yet their separation via crystallization or distillation is energy intensive. Adsorption presents an attractive, lower-energy alternative and the discovery of adsorbents which outper... Read More about Understanding the kinetic and thermodynamic origins of xylene separation in UiO-66(Zr) via molecular simulation.

Direct Measurement of Electron Transfer in Nanoscale Host-Guest Systems: Metallocenes in Carbon Nanotubes (2016)
Journal Article
McSweeney, R. L., Chamberlain, T. W., Baldoni, M., Lebedeva, M. A., Davies, E. S., Besley, E., & Khlobystov, A. N. (2016). Direct Measurement of Electron Transfer in Nanoscale Host-Guest Systems: Metallocenes in Carbon Nanotubes. Chemistry - A European Journal, 22(38), 13540-13549. https://doi.org/10.1002/chem.201602116

Electron‐transfer processes play a significant role in host–guest interactions and determine physicochemical phenomena emerging at the nanoscale that can be harnessed in electronic or optical devices, as well as biochemical and catalytic systems. A n... Read More about Direct Measurement of Electron Transfer in Nanoscale Host-Guest Systems: Metallocenes in Carbon Nanotubes.

Catalyst Decomposition during Olefin Metathesis Yields Isomerization-Active Ruthenium Nanoparticles (2016)
Journal Article
Higman, C. S., Lanterna, A. E., Marin, M. L., Scaiano, J. C., & Fogg, D. E. (2016). Catalyst Decomposition during Olefin Metathesis Yields Isomerization-Active Ruthenium Nanoparticles. ChemCatChem, 8(15), 2446-2449. https://doi.org/10.1002/cctc.201600738

The second‐generation Grubbs catalyst, RuCl2(H2IMes)(PCy3) (=CHPh) [GII ; H2IMes=1,3‐bis(2,4,6‐trimethylphenyl)‐4,5‐dihydroimidazol‐2‐ylidene, Cy=cyclohexyl], is shown to decompose during olefin metathesis to generate Ru nanoparticles (RuNPs). These... Read More about Catalyst Decomposition during Olefin Metathesis Yields Isomerization-Active Ruthenium Nanoparticles.

Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters (2016)
Journal Article
Torre, A. L., Åhlgren, E. H., Fay, M. W., Ben Romdhane, F., Skowron, S. T., Parmenter, C., …Banhart, F. (2016). Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters. Nanoscale, 8(32), 15079-15085. https://doi.org/10.1039/c6nr03474h

© 2016 The Royal Society of Chemistry. We report on the growth and formation of single-layer boron nitride dome-shaped nanostructures mediated by small iron clusters located on flakes of hexagonal boron nitride. The nanostructures were synthesized in... Read More about Growth of single-layer boron nitride dome-shaped nanostructures catalysed by iron clusters.

Diversification of ortho-fused cycloocta-2,5-dien-1-one cores and 8 to 6-Ring conversion by sigma bond C-C cleavage (2016)
Journal Article
Eccleshare, L., Lozada-Rodriguez, L., Cooper, P., Burroughs, L., Ritchie, J., Lewis, W., & Woodward, S. (in press). Diversification of ortho-fused cycloocta-2,5-dien-1-one cores and 8 to 6-Ring conversion by sigma bond C-C cleavage. Chemistry - A European Journal, 22(35), https://doi.org/10.1002/chem.201601970

Sequential treatment of 2-C6H4Br(CHO) with LiC≡CR1 (R1 = SiMe3, tBu), nBuLi, CuBr∙SMe2 and HC≡CCHClR2 [R2 = Ph, 4-CF3Ph, 3-CNPh, 4-(MeO2C)Ph] at -50 oC leads to formation of an intermediate carbanion (Z)-1,2-C6H4{CA(=O)C≡CBR1}{CH=CH(CH–)R2} (4). Low... Read More about Diversification of ortho-fused cycloocta-2,5-dien-1-one cores and 8 to 6-Ring conversion by sigma bond C-C cleavage.

The Interplay Between Conformation and Absolute Configuration in Chiral Electron Dynamics of Small Diols (2016)
Journal Article
Daly, S., Daly, S., Tia, M., Garcia, G. A., Nahon, L., & Powis, I. (2016). The Interplay Between Conformation and Absolute Configuration in Chiral Electron Dynamics of Small Diols. Angewandte Chemie International Edition, 55(37), 11054-11058. https://doi.org/10.1002/anie.201603771

© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim A competition between chiral characteristics alternatively attributable to either conformation or to absolute configuration is identified. Circular dichroism associated with photoexcitation of the o... Read More about The Interplay Between Conformation and Absolute Configuration in Chiral Electron Dynamics of Small Diols.

Versatile C(sp2)?C(sp3) Ligand Couplings of Sulfoxides for the Enantioselective Synthesis of Diarylalkanes (2016)
Journal Article
Dean, W. M., Šiaučiulis, M., Storr, T. E., Lewis, W., & Stockman, R. A. (2016). Versatile C(sp2)−C(sp3) Ligand Couplings of Sulfoxides for the Enantioselective Synthesis of Diarylalkanes. Angewandte Chemie, 128(34), 10167-10170. https://doi.org/10.1002/ange.201602264

The reaction of chiral (hetero)aryl benzyl sulfoxides with Grignard reagents affords enantiomerically pure diarylalkanes in up to 98?% yield and greater than 99.5?% enantiomeric excess. This ligand coupling reaction is tolerant to multiple substituti... Read More about Versatile C(sp2)?C(sp3) Ligand Couplings of Sulfoxides for the Enantioselective Synthesis of Diarylalkanes.

A feasibility service evaluation of screening and treatment of group A streptococcal pharyngitis in community pharmacies (2016)
Journal Article
Thornley, T., Marshall, G., Howard, P., & Wilson, A. P. (2016). A feasibility service evaluation of screening and treatment of group A streptococcal pharyngitis in community pharmacies. Journal of Antimicrobial Chemotherapy, 71(11), 3293-3299. https://doi.org/10.1093/jac/dkw264

Objectives: The UK 5 year antimicrobial resistance strategy recognizes the role of point-of-care diagnostics to identify where antimicrobials are required, as well as to assess the appropriateness of the diagnosis and treatment. A sore throat test-an... Read More about A feasibility service evaluation of screening and treatment of group A streptococcal pharyngitis in community pharmacies.

Versatile C(sp2)−C(sp3) Ligand Couplings of Sulfoxides for the Enantioselective Synthesis of Diarylalkanes (2016)
Journal Article
Dean, W. M., Mindaugas, Š., Storr, T. E., Lewis, W., & Stockman, R. A. (2016). Versatile C(sp2)−C(sp3) Ligand Couplings of Sulfoxides for the Enantioselective Synthesis of Diarylalkanes. Angewandte Chemie International Edition, 55(34), 10013-10016. https://doi.org/10.1002/anie.201602264

The reaction of chiral (hetero)aryl benzyl sulfoxides with Grignard reagents affords enantiomerically pure diarylalkanes in up to 98% yield and greater than 99.5% enantiomeric excess. This ligand coupling reaction is tolerant to multiple substitution... Read More about Versatile C(sp2)−C(sp3) Ligand Couplings of Sulfoxides for the Enantioselective Synthesis of Diarylalkanes.