All Outputs (106)

Green process for green materials: viable low-temperature lipase-catalysed synthesis of renewable telechelics in supercritical CO2 (2015)
Journal Article
Curia, S., Barclay, A., Torron, S., Johansson, M., & Howdle, S. (2015). Green process for green materials: viable low-temperature lipase-catalysed synthesis of renewable telechelics in supercritical CO2. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences, 373(2057), https://doi.org/10.1098/rsta.2015.0073

We present a novel near ambient temperature approach to telechelic renewable polyesters by exploiting the unique properties of supercritical CO2 (scCO2). Bio-based commercially available monomers have been polymerised and functional telechelic materi... Read More about Green process for green materials: viable low-temperature lipase-catalysed synthesis of renewable telechelics in supercritical CO2.

Investigation of La3+ Doped Yb2Sn2O7 as new thermal barrier materials (2015)
Journal Article
Wang, J., Xu, F., Wheatley, R. J., Choy, K.-L., Neate, N. C., & Hou, X. (2015). Investigation of La3+ Doped Yb2Sn2O7 as new thermal barrier materials. Materials and Design, 85, https://doi.org/10.1016/j.matdes.2015.07.022

Low thermal conductivity is one of the key requirements for thermal barrier coating materials. From the consideration of crystal structure and ion radius, La3+ Doped Yb2Sn2O7 ceramics with pyrochlore crystal structures were synthesised by sol-gel met... Read More about Investigation of La3+ Doped Yb2Sn2O7 as new thermal barrier materials.

Antioxidant Hydroxytyrosol-Based Polyacrylate with Antimicrobial and Antiadhesive Activity Versus Staphylococcus Epidermidis (2015)
Book Chapter
Crisante, F., Taresco, V., Donelli, G., Vuotto, C., Martinelli, A., D’Ilario, L., …Piozzi, A. (2015). Antioxidant Hydroxytyrosol-Based Polyacrylate with Antimicrobial and Antiadhesive Activity Versus Staphylococcus Epidermidis. In Advances in Microbiology, Infectious Diseases and Public Health. Volume 2 (25-36). Springer. https://doi.org/10.1007/5584_2015_5013

The accumulation of reactive oxygen species (ROS) in microbial biofilms has been recently recognized to play a role in promoting antibiotic resistance in biofilm-growing bacteria. ROS are also over-produced when a medical device is implanted and they... Read More about Antioxidant Hydroxytyrosol-Based Polyacrylate with Antimicrobial and Antiadhesive Activity Versus Staphylococcus Epidermidis.

The twelve principles of CO2 Chemistry (2015)
Journal Article
Poliakoff, M., Leitner, W., & Streng, E. S. (2015). The twelve principles of CO2 Chemistry. Faraday Discussions, https://doi.org/10.1039/c5fd90078f

This paper introduces a set of 12 Principles, based on the acronym CO2 CHEMISTRY, which are intended to form a set of criteria for assessing the viability of different processes or reactions for using CO2 as a feedstock for making organic chemicals.... Read More about The twelve principles of CO2 Chemistry.

Isolation of Elusive HAsAsH in a Crystalline Diuranium(IV) Complex (2015)
Journal Article
Gardner, B. M., Balázs, G., Scheer, M., Wooles, A. J., Tuna, F., McInnes, E. J., …Liddle, S. T. (2015). Isolation of Elusive HAsAsH in a Crystalline Diuranium(IV) Complex. Angewandte Chemie International Edition, 54(50), 15250-15254. https://doi.org/10.1002/anie.201508600

The HAsAsH molecule has hitherto only been proposed tentatively as a short-lived species generated in electrochemical or microwave-plasma experiments. After two centuries of inconclusive or disproven claims of HAsAsH formation in the condensed phase,... Read More about Isolation of Elusive HAsAsH in a Crystalline Diuranium(IV) Complex.

The coupling constant averaged exchange–correlation energy density (2015)
Journal Article
Irons, T. J., & Teale, A. M. (2016). The coupling constant averaged exchange–correlation energy density. Molecular Physics, 114(3-4), 1-14. https://doi.org/10.1080/00268976.2015.1096424

The exchange–correlation energy, central to density-functional theory, may be represented in terms of the coupling constant averaged (CCA) exchange–correlation energy density. We present an approach to calculate the CCA energy density using accurate... Read More about The coupling constant averaged exchange–correlation energy density.

Identification of Thiotetronic Acid Antibiotic Biosynthetic Pathways by Target-directed Genome Mining (2015)
Journal Article
Tang, X., Li, J., Millán-Aguiñaga, N., Zhang, J. J., O’Neill, E. C., Ugalde, J. A., …Moore, B. S. (2015). Identification of Thiotetronic Acid Antibiotic Biosynthetic Pathways by Target-directed Genome Mining. ACS Chemical Biology, 10(12), 2841-2849. https://doi.org/10.1021/acschembio.5b00658

Recent genome sequencing efforts have led to the rapid accumulation of uncharacterized or “orphaned” secondary metabolic biosynthesis gene clusters (BGCs) in public databases. This increase in DNA-sequenced big data has given rise to significant chal... Read More about Identification of Thiotetronic Acid Antibiotic Biosynthetic Pathways by Target-directed Genome Mining.

Synergistic catalyst-support interactions in a graphene-Mn3O4 electrocatalyst for vanadium redox flow batteries (2015)
Journal Article
Ejigu, A., Edwards, M., & Walsh, D. A. (2015). Synergistic catalyst-support interactions in a graphene-Mn3O4 electrocatalyst for vanadium redox flow batteries. ACS Catalysis, 5(12), https://doi.org/10.1021/acscatal.5b01973

The development of vanadium redox flow batteries (VRFBs) is partly limited by the sluggishness of the electrochemical reactions at conventional carbon-based electrodes. The VO2+/VO2+ redox reaction is particularly sluggish and improvements in battery... Read More about Synergistic catalyst-support interactions in a graphene-Mn3O4 electrocatalyst for vanadium redox flow batteries.

Total Synthesis of the Posttranslationally Modified Polyazole Peptide Antibiotic Plantazolicin A (2015)
Journal Article
Wada, H., Williams, H. E. L., & Moody, C. J. (2015). Total Synthesis of the Posttranslationally Modified Polyazole Peptide Antibiotic Plantazolicin A. Angewandte Chemie International Edition, 54(50), 15147-15151. https://doi.org/10.1002/anie.201507062

The power of rhodium carbene methodology in chemistry is demonstrated by the synthesis of a structurally complex polyazole antibiotic. Plantazolicin A, a novel soil bacterium metabolite, comprises a linear array of 10 five-membered rings in two penta... Read More about Total Synthesis of the Posttranslationally Modified Polyazole Peptide Antibiotic Plantazolicin A.

A surprisingly simple electrostatic model explains bent vs. linear structures in M+-RG2 species (M = group 1 metal, Li–Fr; RG = rare gas, He–Rn) (2015)
Journal Article
Andrejeva, A., Breckenridge, W., & Wright, T. G. (in press). A surprisingly simple electrostatic model explains bent vs. linear structures in M+-RG2 species (M = group 1 metal, Li–Fr; RG = rare gas, He–Rn). Journal of Physical Chemistry A, 119(44), https://doi.org/10.1021/acs.jpca.5b08045

It is found that a simple electrostatic model involving competition between the attractive dispersive interaction and induced-dipole repulsion between the two RG atoms performs extremely well in rationalizing the M+-RG2 geometries, where M = Group 1... Read More about A surprisingly simple electrostatic model explains bent vs. linear structures in M+-RG2 species (M = group 1 metal, Li–Fr; RG = rare gas, He–Rn).

Ni Mg Mixed Metal Oxides for p-Type Dye-Sensitized Solar Cells (2015)
Journal Article
Zannotti, M., Wood, C. J., Summers, G. H., Stevens, L. A., Hall, M. R., Snape, C. E., …Gibson, E. A. (2015). Ni Mg Mixed Metal Oxides for p-Type Dye-Sensitized Solar Cells. ACS Applied Materials and Interfaces, 7(44), 24556-24565. https://doi.org/10.1021/acsami.5b06170

Mg Ni mixed metal oxide photocathodes have been prepared by a mixed NiCl2/MgCl2 sol-gel process. The MgO/NiO electrodes have been extensively characterized using physical and electrochemical methods. Dye-sensitized solar cells have been prepared from... Read More about Ni Mg Mixed Metal Oxides for p-Type Dye-Sensitized Solar Cells.

The influence of the bromine atom Cooper minimum on the photoelectron angular distributions and branching ratios of the four outermost bands of bromobenzene (2015)
Journal Article

Asymmetric pentafulvene carbometalation-access to enantiopure titanocene dichlorides of biological relevance (2015)
Journal Article
Cini, M., Bradshaw, T. D., Woodward, S., & Lewis, W. (2015). Asymmetric pentafulvene carbometalation-access to enantiopure titanocene dichlorides of biological relevance. Angewandte Chemie International Edition, 54(47), https://doi.org/10.1002/anie.201508034

Unprecedented asymmetric copper-catalyzed addition of ZnEt2 (ZnBu2) to the exocyclic C[DOUBLE BOND]C bond of pentafulvenes C5H4([DOUBLE BOND]CHAr) (Ar=2-MeOPh and related species) results in enantiomerically enriched (up to 93:7 e.r.) cyclopentadieny... Read More about Asymmetric pentafulvene carbometalation-access to enantiopure titanocene dichlorides of biological relevance.

Hydride Abstraction and Deprotonation - an Efficient Route to Low Coordinate Phosphorus and Arsenic Species (2015)
Journal Article
Taylor, L. J., Bühl, M., Wawrzyniak, P., Chalmers, B. A., Woollins, J. D., Slawin, A. M., …Kilian, P. (2016). Hydride Abstraction and Deprotonation - an Efficient Route to Low Coordinate Phosphorus and Arsenic Species. European Journal of Inorganic Chemistry, 2016(5), 659-666. https://doi.org/10.1002/ejic.201500948

Treatment of Acenap(PiPr2)(EH2) (Acenap = acenaphthene-5,6-diyl; 1a, E = As; 1b, E = P) with Ph3C·BF4 resulted in hydride abstraction to give [Acenap(PiPr2)(EH)][BF4] (2a, E = As; 2b, E = P). These represent the first structurally characterised phosp... Read More about Hydride Abstraction and Deprotonation - an Efficient Route to Low Coordinate Phosphorus and Arsenic Species.

Nucleation and Early Stages of Layer-by-Layer Growth of Metal Organic Frameworks on Surfaces (2015)
Journal Article
Summerfield, A., Cebula, I., Schröder, M., & Beton, P. H. (2015). Nucleation and Early Stages of Layer-by-Layer Growth of Metal Organic Frameworks on Surfaces. Journal of Physical Chemistry C, 119(41), 23544-23551. https://doi.org/10.1021/acs.jpcc.5b07133

High resolution atomic force microscopy (AFM) is used to resolve the evolution of crystallites of a metal organic framework (HKUST-1) grown on Au(111) using a liquid-phase layer-by-layer methodology. The nucleation and faceting of individual crystall... Read More about Nucleation and Early Stages of Layer-by-Layer Growth of Metal Organic Frameworks on Surfaces.

Fractional Electron Loss in Approximate DFT and Hartree–Fock Theory (2015)
Journal Article
Peach, M. J., Teale, A. M., Helgaker, T., & Tozer, D. J. (2015). Fractional Electron Loss in Approximate DFT and Hartree–Fock Theory. Journal of Chemical Theory and Computation, 11(11), 5262-5268. https://doi.org/10.1021/acs.jctc.5b00804

Measuring 19F shift anisotropies and 1H–19F dipolar interactions with ultrafast MAS NMR (2015)
Journal Article
Martini, F., Miah, H. K., Iuga, D., Geppi, M., & Titman, J. J. (2015). Measuring 19F shift anisotropies and 1H–19F dipolar interactions with ultrafast MAS NMR. Journal of Magnetic Resonance, 259, https://doi.org/10.1016/j.jmr.2015.08.004

A new 19F anisotropic–isotropic shift correlation experiment is described that operates with ultrafast MAS, resulting in good resolution of isotropic 19F shifts in the detection dimension. The new experiment makes use of a recoupling sequence designe... Read More about Measuring 19F shift anisotropies and 1H–19F dipolar interactions with ultrafast MAS NMR.

A Ni(I)Fe(II) analogue of the Ni-L state of the active site of the [NiFe] hydrogenases (2015)
Journal Article
Perotto, C. U., Marshall, G., Jones, G. J., Lewis, W., McMaster, J., & Schröder, M. (2015). A Ni(I)Fe(II) analogue of the Ni-L state of the active site of the [NiFe] hydrogenases. Chemical Communications, 51, https://doi.org/10.1039/c5cc05881c

Ni(L1)Fe(tBuNC)4](PF6)2 is a robust NiIIFeII complex that undergoes a reversible one-electron reduction. Spectroscopic and theoretical studies show that [Ni(L1)Fe(tBuNC)4]+ is an unprecedented NiIFeII species that reproduces the electronic configurat... Read More about A Ni(I)Fe(II) analogue of the Ni-L state of the active site of the [NiFe] hydrogenases.

A synthetic-dynamic method for water solubility measurements in high pressure CO2 using ATR–FTIR spectroscopy (2015)
Journal Article
Comak, G., Foltran, S., Ke, J., Pérez, E., Sánchez-Vicente, Y., George, M. W., & Poliakoff, M. (2016). A synthetic-dynamic method for water solubility measurements in high pressure CO2 using ATR–FTIR spectroscopy. Journal of Chemical Thermodynamics, 93, https://doi.org/10.1016/j.jct.2015.09.024

A new synthetic method for studying phase behaviour is described using Attenuated Total Reflection (ATR) spectroscopy. The method has been developed to provide relevant information on the solubility of water in CO2. The dew point of water has been de... Read More about A synthetic-dynamic method for water solubility measurements in high pressure CO2 using ATR–FTIR spectroscopy.

Enantioselective Synthesis of Spiroindenes by Enol-Directed Rhodium(III)-Catalyzed C—H Functionalization and Spiroannulation (2015)
Journal Article
Reddy Chidipudi, S., Burns, D. J., Khan, I., & Lam, H. W. (2015). Enantioselective Synthesis of Spiroindenes by Enol-Directed Rhodium(III)-Catalyzed C—H Functionalization and Spiroannulation. Angewandte Chemie International Edition, 54(47), 13975-13979. https://doi.org/10.1002/anie.201507029

Chiral cyclopentadienyl rhodium complexes promote highly enantioselective enol‐directed C(sp2)‐H functionalization and oxidative annulation with alkynes to give spiroindenes containing all‐carbon quaternary stereocenters. High selectivity between two... Read More about Enantioselective Synthesis of Spiroindenes by Enol-Directed Rhodium(III)-Catalyzed C—H Functionalization and Spiroannulation.