All Outputs (38)

Gold-catalyzed oxidative coupling of arylsilanes and arenes: Origin of selectivity and improved precatalyst (2013)
Journal Article

The mechanism of gold-catalyzed coupling of arenes with aryltrimethylsilanes has been investigated, employing an improved precatalyst (thtAuBr3) to facilitate kinetic analysis. In combination with linear free-energy relationships, kinetic isotope eff... Read More about Gold-catalyzed oxidative coupling of arylsilanes and arenes: Origin of selectivity and improved precatalyst.

C=N-containing azaarenes as activating groups in enantioselective catalysis (2013)
Journal Article

Nitrogen-containing aromatic heterocycles (azaarenes) are of widespread chemical significance, and chi-ral compounds containing azaarenes feature prominently in pharmaceuticals, agrochemicals, and natural products. This Perspective highlights the use... Read More about C=N-containing azaarenes as activating groups in enantioselective catalysis.

Negative area compressibility in silver(i) tricyanomethanide (2013)
Journal Article

The metal–organic framework copper(I) tricyanomethanide, Cu(tcm), undergoes a ferroelastic transition on cooling below Tf = 240 K. Thermal expansion measurements reveal an order-of-magnitude variation in framework flexibility across Tf. The low-tempe... Read More about Negative area compressibility in silver(i) tricyanomethanide.

A practical drug discovery project at the undergraduate level (2013)
Journal Article

A practical drug discovery project for third-year undergraduates is described. No previous knowledge of medicinal chemistry is assumed. Initial lecture-workshops cover the basic principles; then students are asked to improve the profile of a weakly... Read More about A practical drug discovery project at the undergraduate level.

Peptide ligation chemistry at selenol amino acids (2013)
Journal Article

The convergent assembly of peptide fragments by native chemical ligation has revolutionized the way in which proteins can be accessed by chemical synthesis. A variation of native chemical ligation involves the reaction of peptides bearing an N‐termin... Read More about Peptide ligation chemistry at selenol amino acids.

Understanding the acceleration in the ring-opening of lactones delivered by microwave heating (2013)
Journal Article

Alkali metal derivatives of an ortho-phenylene diamine (2013)
Journal Article

Treatment of the ortho-phenylene diamine C6H4-1,2-{N(H)Tripp}2 (1, PDAH2, Tripp = 2,4,6-triisopropylphenyl) with two equivalents of MR (M = Li, R = Bun; M = Na or K, R = CH2C6H5) afforded the dimetallated alkali metal ortho-phenylene diamide dianion... Read More about Alkali metal derivatives of an ortho-phenylene diamine.

Pro-inflammatory cytokines can act as intracellular modulators of commensal bacterial virulence (2013)
Journal Article

Interactions between commensal pathogens and hosts are critical for disease development but the underlying mechanisms for switching between the commensal and virulent states are unknown. We show that the human pathogen Neisseria meningitidis, the lea... Read More about Pro-inflammatory cytokines can act as intracellular modulators of commensal bacterial virulence.

Interconnectivity and permeability of supercritical fluid-foamed scaffolds and the effect of their structural properties on cell distribution (2013)
Journal Article

This study aims to investigate interconnectivity and permeability of scCO2-foamed scaffolds and the influence of structural scaffold properties on cell distribution. Supercritical fluid technology was utilized to fabricated scaffolds from 37 kDa, 53... Read More about Interconnectivity and permeability of supercritical fluid-foamed scaffolds and the effect of their structural properties on cell distribution.

A two-directional approach to pyrrolizidines: total syntheses and biological evaluation of alkaloid cis-223B and (+/-)-xenovenine (2013)
Journal Article

Total syntheses of alkaloid cis-223B and xenovenine are reported in 3 and 4 steps respectively using a two-directional synthesis/triple reductive amination strategy, and their neurotoxic properties assessed.

The Dalton quantum chemistry program system (2013)
Journal Article

Copper, zinc superoxide dismutase and nitrate reductase coimmobilized bienzymatic biosensor for the simultaneous determination of nitrite and nitrate (2013)
Journal Article

Proton transfer or hemibonding? The structure and stability of radical cation clusters (2013)
Journal Article

The basin hopping search algorithm in conjunction with second-order Moller-Plesset perturbation theory is used to determine the lowest energy structures of the radical cation clusters (NH_3)_n^+, (H_2O)_n^+, (HF)_n^+, (PH_3)_n^+, (H_2S)_n^+ and (HCl)... Read More about Proton transfer or hemibonding? The structure and stability of radical cation clusters.

Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides (2013)
Journal Article

Cycloaddition reactions between pyridinium ylides and 3-alkenyl oxindoles that proceed in high yield and with very good regio- and diastereoselectivity are reported. The resulting cycloadducts have the same stereochemistry of biologically active oxin... Read More about Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.

Vibrationally induced inversion of photoelectron forward-backward asymmetry in chiral molecule photoionization by circularly polarized light (2013)
Journal Article

Electron–nuclei coupling accompanying excitation and relaxation processes is a fascinating phenomenon in molecular dynamics. A striking and unexpected example of such coupling is presented here in the context of photoelectron circular dichroism measu... Read More about Vibrationally induced inversion of photoelectron forward-backward asymmetry in chiral molecule photoionization by circularly polarized light.

ChemInform Abstract: Catalytic Hydrotrifluoromethylation of Unactivated Alkenes (2013)
Journal Article

Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins (2013)
Journal Article

The calculation of the electronic circular dichroism (CD) spectra of the oxidised form of the blue copper proteins plastocyanin and cucumber basic protein and the relationship between the observed spectral features and the structure of the active sit... Read More about Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins.

Palladium nanoparticles on carbon nanotubes as catalysts of cross-coupling reactions (2013)
Journal Article

The macroscopic properties of composite nanotube-nanoparticle superstructures are determined by a complex interplay of structural parameters at the nanoscale. The catalytic performance of different carbon nanotube-palladium nanoparticle catalysts, wh... Read More about Palladium nanoparticles on carbon nanotubes as catalysts of cross-coupling reactions.

Structure and bonding in ionized water clusters (2013)
Journal Article

The structure and bonding in ionized water clusters, (H_2O)n+(n = 3–9), has been studied using the basin hopping search algorithm in combination with quantum chemical calculations. Initially candidate low energy isomers are generated using basin hopp... Read More about Structure and bonding in ionized water clusters.

N-(Alkylsulfamoyl)aldimines: easily deprotected precursors for diarylmethylamine synthesis (2013)
Journal Article