All Outputs (1488)

Bowing to the Pressure of ??? interactions: Bending of phenyl rings in a palladium(II) thioether crown complex (2013)
Journal Article

Compression of a parallel four-fold phenyl embrace involving two cations in [Pd([9]aneS3)(PPh3)2](PF6) 2 ([9]aneS3=1,4,7-trithiacyclononane) leads to π⋯π stacking interactions and concomitant pyramidalization at the ipso carbon atom of one of the phe... Read More about Bowing to the Pressure of ??? interactions: Bending of phenyl rings in a palladium(II) thioether crown complex.

Vibrations of the low energy states of toluene ( X(1-A-1) and A(1-B-2) and the toluene cation (X+(2-B-1) (2013)
Journal Article

We commence by presenting an overview of the assignment of the vibrational frequencies of the toluene molecule in its ground (S0) state. The assignment given is in terms of a recently-proposed nomenclature, which allows the ring-localized vibrations... Read More about Vibrations of the low energy states of toluene ( X(1-A-1) and A(1-B-2) and the toluene cation (X+(2-B-1).

Copper(II)-mediated synthesis of indolequinones from bromoquinones and enamines (2013)
Journal Article

The reaction of enamines and bromoquinones in the presence of copper(II) acetate and potassium carbonate results in a regiospecific synthesis of indolequinones. The reaction is broad in scope and scalable and provides a route to the core structure th... Read More about Copper(II)-mediated synthesis of indolequinones from bromoquinones and enamines.

Bis-thioether-substituted perylene diimides: Structural, electrochemical, and spectroelectrochemical properties (2013)
Journal Article

The synthesis and separation of the 1,6- and 1,7- isomers of N,N′-bis(alkyl)diadamantylthio-3,4,9,10-perylenetetracarboxylic acid diimide are reported. Investigations of the structural, electrochemical, spectroscopic, and spectroelectrochemical prope... Read More about Bis-thioether-substituted perylene diimides: Structural, electrochemical, and spectroelectrochemical properties.

Trifluoromethylation of Allylsilanes under Photoredox Catalysis (2013)
Journal Article

A new catalytic method to access allylic secondary CF3 products is described. These reactions use the visible light excited Ru(bpy)3Cl2·6H2O catalyst and the Togni or Umemoto reagent as the CF3 source. The photoredox catalytic manifold delivers enant... Read More about Trifluoromethylation of Allylsilanes under Photoredox Catalysis.

Gold Nanoparticles with Self-Assembled Cysteine Monolayer Coupled to Nitrate Reductase in Polypyrrole Matrix Enhanced Nitrate Biosensor (2013)
Journal Article

Calculating excited state properties using Kohn-Sham density functional theory (2013)
Journal Article

The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum overlap method has been assessed for the calculation of adiabatic excitation energies, excited state structures, and excited state harmonic and anhar... Read More about Calculating excited state properties using Kohn-Sham density functional theory.

A catalytic and tert-butoxide ion-mediated amidation of aldehydes with para-nitro azides (2013)
Journal Article

We report here a new catalytic reaction in which, p-nitro azides are acylated by aldehydes to produce amides and molecular nitrogen in a single step. The transformation is believed to proceed via an electron transfer process mediated by the tert-buto... Read More about A catalytic and tert-butoxide ion-mediated amidation of aldehydes with para-nitro azides.

Catalytic Hydrotrifluoromethylation of Unactivated Alkenes (2013)
Journal Article

A visible-light-mediated hydrotrifluoromethylation of unactivated alkenes that uses the Umemoto reagent as the CF3 source and MeOH as the reductant is disclosed. This effective transformation operates at room temperature in the presence of 5 mol % Ru... Read More about Catalytic Hydrotrifluoromethylation of Unactivated Alkenes.

The lipidome and proteome of oil bodies from Helianthus annuus (common sunflower) (2013)
Journal Article

In this paper we report the molecular profiling, lipidome and proteome, of the plant organelle known as an oil body (OB). The OB is remarkable in that it is able to perform its biological role (storage of triglycerides) whilst resisting the physical... Read More about The lipidome and proteome of oil bodies from Helianthus annuus (common sunflower).

ZrCl₂(η-C₅Me₅)₂-AlHCl₂•(THF)₂: efficient hydroalumination of terminal alkynes and cross-coupling of the derived alanes (2013)
Journal Article

Catalytic reduction of ortho- and para-azidonitrobenzenes via tert-butoxide ion mediated electron transfer (2013)
Journal Article

The reduction of a range of substituted azidonitrobenzene derivatives to the corresponding aniline is described. The chemoselective reaction proceeds cleanly and in good yield, generating minimal waste products. The process involves a thiazolium salt... Read More about Catalytic reduction of ortho- and para-azidonitrobenzenes via tert-butoxide ion mediated electron transfer.

On DABAL-Me? promoted formation of amides (2013)
Journal Article

The range and utility of DABAL-Me3 couplings of methyl esters and free carboxylic acids with primary and secondary amines under a variety of conditions (reflux, sealed tube, microwave) has been compared for a significant range of coupling partners of... Read More about On DABAL-Me? promoted formation of amides.

Insight into lithium transport in lithium nitridometallate battery materials from muon spin relaxation (2013)
Journal Article

Muon spin relaxation and powder neutron diffraction have been combined to study three lithium cobalt nitride battery materials. Neutron diffraction shows that these retain the P6/mmm space group of Li3N with Co located only on Li(1) sites. The lattic... Read More about Insight into lithium transport in lithium nitridometallate battery materials from muon spin relaxation.

Click chemistry in carbon nanoreactors (2012)
Journal Article

Copper-nanoparticle catalytic centres anchored at the 5 graphitic step-edges within hollow carbon nanoreactors exhibit superior activity and stability in cycloaddition reactions as compared to catalytic centres outside the nanoreactors. Nanoscale con... Read More about Click chemistry in carbon nanoreactors.

PASCal: a principal axis strain calculator for thermal expansion and compressibility determination (2012)
Journal Article

This article describes a web-based tool (PASCal; principal axis strain calculator; http://pascal.chem.ox.ac.uk) designed to simplify the determination of principal coefficients of thermal expansion and compressibilities from variable-temperature and... Read More about PASCal: a principal axis strain calculator for thermal expansion and compressibility determination.

Nanomaterial-based electrochemical biosensors for cytochrome c using cytochrome c reductase (2012)
Journal Article

Emerging evidences have pointed out that the release of cytochrome c (cyt c) from mitochondria into cytosol is a critical step in the activation of apoptosis. This article presents a novel approach for the detection of mitochondrial cyt c release for... Read More about Nanomaterial-based electrochemical biosensors for cytochrome c using cytochrome c reductase.

Incorporation of paramagnetic, fluorescent and PET/SPECT contrast agents into liposomes for multimodal imaging (2012)
Journal Article

A series of metal-chelating lipid conjugates has been designed and synthesized. Each member of the series bears a 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) macrocycle attached to the lipid head group, using short n-ethylene glyc... Read More about Incorporation of paramagnetic, fluorescent and PET/SPECT contrast agents into liposomes for multimodal imaging.

Virtual electrochemical nitric oxide analyzer using copper, zinc superoxide dismutase immobilized on carbon nanotubes in polypyrrole matrix (2012)
Journal Article

Combinatorial discovery of polymers resistant to bacterial attachment (2012)
Journal Article

Bacterial attachment and subsequent biofilm formation pose key challenges to the optimal performance of medical devices. In this study, we determined the attachment of selected bacterial species to hundreds of polymeric materials in a high-throughput... Read More about Combinatorial discovery of polymers resistant to bacterial attachment.