All Outputs (151)

Synthesis of malhamensilipin A exploiting iterative epoxidation/chlorination: experimental and computational analysis of epoxide-derived chloronium ions (2016)
Journal Article

We report a 12-step catalytic enantioselective formal synthesis of malhamensilipin A (3) and diastereoisomeric analogues from (E)-2-undecenal. The convergent synthesis relied upon iterative epoxidation and phosphorus(V)-mediated deoxydichlorination r... Read More about Synthesis of malhamensilipin A exploiting iterative epoxidation/chlorination: experimental and computational analysis of epoxide-derived chloronium ions.

Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus ?-Complexation (2016)
Journal Article

The intramolecular gold–catalyzed arylation of arenes by aryltrimethylsilanes has been investigated from both a mechanistic and preparative aspect. The reaction generates five to nine membered rings, and of the 44 examples studied, ten include a hete... Read More about Au-Catalyzed Biaryl Coupling To Generate 5- to 9-Membered Rings: Turnover-Limiting Reductive Elimination versus ?-Complexation.

Antibiotic Spider Silk: Site-Specific Functionalization of Recombinant Spider Silk Using “Click” Chemistry (2016)
Journal Article

The use of functionalised recombinant spider silk as a sustainable advanced biomaterial is currently an area of intense interest owing to spider silk’s intrinsic strength, toughness, biocompatibility and biodegradability. This paper demonstrates, for... Read More about Antibiotic Spider Silk: Site-Specific Functionalization of Recombinant Spider Silk Using “Click” Chemistry.

A monomeric, heterobimetallic complex with an unsupported Mg−Fe bond (2016)
Journal Article

The phosphinimine, trimethylsilyl-substituted BIPM ligand [BIPM = bis(iminophosphorano)methanide] has been used to stabilise CH(Ph2PNSiMe3)2MgFe(η5-C5H5)(CO)2 (1), which is a structurally authenticated complex exhibiting a direct, unsupported bond be... Read More about A monomeric, heterobimetallic complex with an unsupported Mg−Fe bond.

Primase is required for helicase activity and helicase alters the specificity of primase in the enteropathogen Clostridium difficile (2016)
Journal Article

DNA replication is an essential and conserved process in all domains of life and may serve as a target for the development of new antimicrobials. However, such developments are hindered by subtle mechanistic differences and limited understanding of D... Read More about Primase is required for helicase activity and helicase alters the specificity of primase in the enteropathogen Clostridium difficile.

Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(II) and Fe(II) m-terphenyl complexes (2016)
Journal Article

Two- and three-coordinate m-terphenyl complexes of manganese and iron are efficient catalysts for the selective cyclotrimerisation of primary aliphatic isocyanates affording isocyanurates in short reaction times and under mild conditions.

One-pot ligation-oxidative deselenization at selenocysteine and selenocystine (2016)
Journal Article

The use of native chemical ligation at selenocysteine (Sec) with peptide thioesters and additive-free selenocystine ligation with peptides bearing phenyl selenoesters, in concert with one-pot oxidative deselenization chemistry, is described. These ap... Read More about One-pot ligation-oxidative deselenization at selenocysteine and selenocystine.

Electronic effects of aromatic rings on the catalytic activity of ‎dioxidomolybdenum(VI)-hydrazone complexes (2016)
Journal Article

Nine dioxidomolybdenum(VI) complexes were synthesized by the ‎reaction of MoO3 with tridentate hydrazone Schiff base ligands ‎obtained from the reaction of aromatic acid hydrazides (3-hydroxy-2-‎naphthoic acid hydrazide, 4-pyridine carboxylic acid hy... Read More about Electronic effects of aromatic rings on the catalytic activity of ‎dioxidomolybdenum(VI)-hydrazone complexes.

The effect of like-charge attraction on aerosol growth in the atmosphere of Titan (2016)
Journal Article

The formation of aerosols in the atmosphere of Titan is based extensively onion-neutral chemistry and physical condensation processes. Herein it is shown that the formation of aerosols may also occur through an alternative pathway that involves the p... Read More about The effect of like-charge attraction on aerosol growth in the atmosphere of Titan.

An efficient synthesis of substituted chrysenes (2016)
Journal Article

Substituted chrysenes have been swiftly synthesised by the 6-endo-dig cyclisation of ethynylnaphthalenes using platinum(II) chloride. Cyclisation precursors were directly prepared from commercially available 2-bromoaldehydes in a telescoped synthetic... Read More about An efficient synthesis of substituted chrysenes.

Exploring the reactivity of 2-trichloromethylbenzoxazoles for access to substituted benzoxazoles (2016)
Journal Article

The reactivity of 2-trichloromethylbenzoxazoles towards various nucleophiles, under metal free or iron-catalyzed conditions, for the synthesis of substituted benzoxazoles is described. These methods allow for selective substitution at either the 2- o... Read More about Exploring the reactivity of 2-trichloromethylbenzoxazoles for access to substituted benzoxazoles.

Tunable Photocatalytic Activity of Palladium-Decorated TiO2: Non-Hydrogen-Mediated Hydrogenation or Isomerization of Benzyl-Substituted Alkenes (2016)
Journal Article

Palladium-decorated TiO2 is a moisture- and air-tolerant versatile catalyst. Its photocatalytic activity can be tuned in favor of hydrogenation or isomerization of benzyl-substituted alkenes simply by changing the irradiation wavelength. Benzyl-subst... Read More about Tunable Photocatalytic Activity of Palladium-Decorated TiO2: Non-Hydrogen-Mediated Hydrogenation or Isomerization of Benzyl-Substituted Alkenes.

From the molecule to the mole: improving heterogeneous copper catalyzed click chemistry using single molecule spectroscopy (2016)
Journal Article

Single molecule spectroscopy (SMS) inspired the optimization of a heterogeneous ‘click’ catalyst leading to enhanced yields of the Cu-catalyzed reaction of azides with terminal alkynes. Changes in SMS data after optimization confirm the improvements... Read More about From the molecule to the mole: improving heterogeneous copper catalyzed click chemistry using single molecule spectroscopy.

Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids (2016)
Journal Article

Chromeazurol B (Na2HL) is a pH-sensitive (halochromic) dye based on a hydroxytriarylmethane core and two carboxylate functional groups, which makes it suitable for the synthesis of coordination polymers. Two new coordination polymers [NaZn4(H2O)3(L)3... Read More about Halochromic coordination polymers based on a triarylmethane dye for reversible detection of acids.

Orbital engineering: photoactivation of an organofunctionalized polyoxotungstate (2016)
Journal Article

Tungsten-based polyoxometalates (POMs) are employed as UV-driven photo-catalysts for a range of organic transformations. Their photoactivity is dependent on electronic transitions between frontier orbitals, and thus manipulation of orbital energy lev... Read More about Orbital engineering: photoactivation of an organofunctionalized polyoxotungstate.

Photochemistry of framework-supported M(diimine)(CO)₃X complexes in 3D Lithium-Carboxylate metal−organic frameworks: monitoring the effect of framework cations (2016)
Journal Article

The structures and photochemical behaviour of two new metal-organic frameworks are reported. Reaction of Re(2,2ʹ-bipyʹ-5,5ʹ-dicarboxylic acid)(CO)₃Cl or Mn(2,2ʹ-bipyʹ-5,5ʹ- dicarboxylic acid)(CO)₃Br with either LiCl or LiBr, respectively, produces si... Read More about Photochemistry of framework-supported M(diimine)(CO)₃X complexes in 3D Lithium-Carboxylate metal−organic frameworks: monitoring the effect of framework cations.

An empirical force field for the simulation of the vibrational spectroscopy of carbon nanomaterials (2016)
Journal Article

An empirical force field for carbon based upon the Murrell-Mottram potential is developed for the calculation of the vibrational frequencies of carbon nanomaterials. The potential is reparameterised using data from density functional theory calculati... Read More about An empirical force field for the simulation of the vibrational spectroscopy of carbon nanomaterials.

A laboratory-scale annular continuous flow reactor for UV photochemistry using excimer lamps for discrete wavelength excitation and its use in a wavelength study of a photodecarboxlyative cyclisation (2016)
Journal Article

This paper describes a new annular reactor for continuous UV photochemistry, which uses easily interchangeable excimer lamps of different wavelengths. The reactor has narrow clearance to form thin films of material for efficient irradiation of molecu... Read More about A laboratory-scale annular continuous flow reactor for UV photochemistry using excimer lamps for discrete wavelength excitation and its use in a wavelength study of a photodecarboxlyative cyclisation.

The phase equilibrium and density studies of the ternary mixtures of CO2 + Ar + N2 and CO2 + Ar + H2, systems relevance to CCS technology (2016)
Journal Article

The p-T phase diagrams of two ternary systems (CO2 + Ar + N2 and CO2 + Ar + H2) have been measured at temperatures between 268 and 303 K using a fibre-optic phase equilibrium analyser. CO2, which is the major component, has a mole fraction ranging fr... Read More about The phase equilibrium and density studies of the ternary mixtures of CO2 + Ar + N2 and CO2 + Ar + H2, systems relevance to CCS technology.

Computing infrared spectra of proteins using the exciton model (2016)
Journal Article

The ability to compute from first principles the infrared spectrum of a protein in solution phase representing a biological system would provide a useful connection to atomistic models of protein structure and dynamics. Indeed, such calculations are... Read More about Computing infrared spectra of proteins using the exciton model.