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Investigation of the Interactions and Bonding between Carbon and Group VIII Metals at the Atomic Scale (2016)
Journal Article
Zoberbier, T., Chamberlain, T. W., Biskupek, J., Suyetin, M., Majouga, A. G., Besley, E., …Khlobystov, A. N. (2016). Investigation of the Interactions and Bonding between Carbon and Group VIII Metals at the Atomic Scale. Small, 12(12), 1649-1657. https://doi.org/10.1002/smll.201502210

The nature and dynamics of bonding between Fe, Ru, Os, and single-walled carbon nanotubes (SWNTs) is studied by aberration-corrected high-resolution transmission electron microscopy (AC-HRTEM). The metals catalyze a wide variety of different transfor... Read More about Investigation of the Interactions and Bonding between Carbon and Group VIII Metals at the Atomic Scale.

Stereoselective Synthesis of Functionalized Pyrrolidines by the Diverted N−H Insertion Reaction of Metallocarbenes with β-Aminoketone Derivatives (2016)
Journal Article
Nicolle, S. M., Lewis, W., Hayes, C. J., & Moody, C. J. (2016). Stereoselective Synthesis of Functionalized Pyrrolidines by the Diverted N−H Insertion Reaction of Metallocarbenes with β-Aminoketone Derivatives. Angewandte Chemie International Edition, 55(11), 3749-3753. https://doi.org/10.1002/anie.201511433

A highly stereoselective route to functionalized pyrrolidines from the metal catalyzed diverted N-H insertion of a range of diazocarbonyl compounds with β-aminoketone derivatives is described. A number of catalysts (rhodium(II) carboxylate dimers, co... Read More about Stereoselective Synthesis of Functionalized Pyrrolidines by the Diverted N−H Insertion Reaction of Metallocarbenes with β-Aminoketone Derivatives.

Emergence of comparable covalency in isostructural cerium(IV)- and uranium(IV)-carbon multiple bonds (2016)
Journal Article
Gregson, M., Lu, E., Tuna, F., McInnes, E. J. L., Hennig, C., Scheinost, A. C., …Liddle, S. T. (2016). Emergence of comparable covalency in isostructural cerium(IV)- and uranium(IV)-carbon multiple bonds. Chemical Science, 7(5), 3286-3297. https://doi.org/10.1039/C6SC00278A

We report comparable levels of covalency in cerium- and uranium-carbon multiple bonds in the isostructural carbene complexes [M(BIPMTMS)(ODipp)2] [M = Ce (1), U (2), Th (3); BIPMTMS = C(PPh2NSiMe3)2; Dipp = C6H3-2,6-Pri2] whereas for M = Th the M=C b... Read More about Emergence of comparable covalency in isostructural cerium(IV)- and uranium(IV)-carbon multiple bonds.

Understanding the electromagnetic interaction of metal organic framework reactants in aqueous solution at microwave frequencies (2016)
Journal Article
Laybourn, A., Katrib, J., Palade, P. A., Easun, T. L., Champness, N. R., Schröder, M., & Kingman, S. W. (2016). Understanding the electromagnetic interaction of metal organic framework reactants in aqueous solution at microwave frequencies. Physical Chemistry Chemical Physics, 18(7), https://doi.org/10.1039/C5CP05426E

Preparation of metal organic frameworks (MOFs) via microwave heating is becoming increasingly popular due to reduced reaction times and enhanced control of MOF particle size. However, there is little understanding about the detailed interaction of th... Read More about Understanding the electromagnetic interaction of metal organic framework reactants in aqueous solution at microwave frequencies.

Electron beam controlled covalent attachment of small organic molecules to graphene (2016)
Journal Article
Markevich, A., Kurasch, S., Lehtinen, O., Reimer, O., Feng, X., Müllen, K., …Besley, E. (2016). Electron beam controlled covalent attachment of small organic molecules to graphene. Nanoscale, 8(5), 2711-2719. https://doi.org/10.1039/c5nr07539d

The electron beam induced functionalization of graphene through the formation of covalent bonds between free radicals of polyaromatic molecules and CC bonds of pristine graphene surface has been explored using first principles calculations and high-r... Read More about Electron beam controlled covalent attachment of small organic molecules to graphene.

Synthesis of 19F nucleic acid–polymer conjugates as real-time MRI probes of biorecognition (2016)
Journal Article
Sicilia, G., Davis, A. L., Spain, S. G., Magnusson, J. P., Boase, N. R., Thurecht, K. J., & Alexander, C. (2016). Synthesis of 19F nucleic acid–polymer conjugates as real-time MRI probes of biorecognition. Polymer Chemistry, 7(12), 2180-2191. https://doi.org/10.1039/C5PY01883H

Polymer–DNA conjugates in which one nucleic acid strand contains fluorine-substituted nucleobases have been prepared and characterised. The efficacy of these novel 19F nucleic acid–polymer conjugates as sensitive and selective in vitro reporters of D... Read More about Synthesis of 19F nucleic acid–polymer conjugates as real-time MRI probes of biorecognition.

Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway? (2016)
Journal Article
Barton, N. A., Marsh, B. J., Lewis, W., Narraidoo, N., Seymour, G. B., Fray, R. G., & Hayes, C. J. (in press). Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway?. Chemical Science, 7(5), https://doi.org/10.1039/c5sc03463a

We have shown for the first time that taxadiene (3) can be epoxidised in a regio- and diastereoselective manner to provide taxadiene-4(5)-epoxide (12) as a single diastereoisomer, and that this epoxide can be rearranged to give taxa-4(20),11(12)-dien... Read More about Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway?.

Enantiopure titanocene complexes: direct evidence for paraptosis in cancer cells (2016)
Journal Article
Cini, M., Williams, H. E. L., Fay, M. W., Searle, M., Woodward, S., & Bradshaw, T. D. (2016). Enantiopure titanocene complexes: direct evidence for paraptosis in cancer cells. Metallomics, https://doi.org/10.1039/C5MT00297D

Tolerated by normal tissues, anti-cancer therapies based on titanium compounds are limited by low efficacy/selectivity and lack of understanding of their mode(s) of action. In vitro antitumour activity and mode of cell death incurred by enantiopure T... Read More about Enantiopure titanocene complexes: direct evidence for paraptosis in cancer cells.

4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki–Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies (2016)
Journal Article
Cornelio, B., Laronze-Cochard, M., Ceruso, M., Ferraroni, M., Rance, G. A., Carta, F., …Sapi, J. (2016). 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki–Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies. Journal of Medicinal Chemistry, 59(2), 721-732. https://doi.org/10.1021/acs.jmedchem.5b01771

Benzenesulfonamides bearing various substituted (hetero)aryl rings in the para-position were prepared by palladium nanoparticle-catalyzed Suzuki–Miyaura cross-coupling reactions and evaluated as human carbonic anhydrase (hCA, EC 4.2.1.1) inhibitors a... Read More about 4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki–Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies.

Electron localisation function in current-density-functional theory (2016)
Journal Article
Furness, J. W., Ekström, U., Helgaker, T., & Teale, A. M. (2016). Electron localisation function in current-density-functional theory. Molecular Physics, 114(7-8), 1415-1422. https://doi.org/10.1080/00268976.2015.1133859

We present a generalisation of the electron localisation function (ELF) to current-density-functional theory as a descriptor for the properties of molecules in the presence of magnetic fields. The resulting current ELF (cELF) is examined for a range... Read More about Electron localisation function in current-density-functional theory.