Two ruthenium(III) complexes structurally similar to the anticancer compound NAMI were prepared: Na[RuCl4(DMSO)(L1)] ( 1) and Na[RuCl4(DMSO)(L2)] ( 2), where L1 and L2 are differently functionalised triazole-thiadiazine ligands. To facilitate the crystallisation of the complex anions, Na+ was substituted with the [bis(triphenylphosphoranylidene)ammonium] cation (PPN+), allowing the X-ray charac...

Co2+ ions encapsulated in nitrogen doped graphene were applied as an oxygen evolution catalyst. Their redox potentials were tuned using different counter anions as liable ligands, and the redox potential related catalytic rates were explored. It was proposed that the electron density of Co2+ ions was a general descriptor for activity.

Understanding the molecular determinants of enzyme performance is of primary importance for the rational design of ad hoc mutants. A novel approach, which combines efficient conformational sampling and quick reactivity scoring, is used here to shed light on how substrate oxidation was improved during the directed evolution experiment of a fungal laccase (from Pycnoporus cinnabarinus), an indust...

Molecular modification of dye-sensitized, mesoporous TiO2 electrodes changes their electronic properties. We show that the open-circuit voltage (V(oc)) of dye-sensitized solar cells varies linearly with the dipole moment of coadsorbed phosphonic, benzoic, and dicarboxylic acid derivatives. A similar dependence is observed for the short-circuit current density (I(sc)). Photovoltage spectroscopy ...

Kinetic measurements in the pH range 7.0 to 9.4 were made by the temperature jump technique, and comparative values of Keg were determined by a spectrophotometric titration method based on absorption difference at 550 rnp between ferriand ferrocytochrome C. Also, stopped flow experiments at 550 rnp were performed at pH 9.5. In all of these experiments, excess sodium ferrocyanide (8 X 10u3 M) wa...

Coastal acid sulfate soils (CASS) constitute a serious and global environmental problem. Oxidation of iron sulfide minerals exposed to air generates sulfuric acid with consequently negative impacts on coastal and estuarine ecosystems. Tidal inundation represents one current treatment strategy for CASS, with the aim of neutralizing acidity by triggering microbial iron- and sulfate-reduction and ...

The electronic structures, formation energies, and band edge positions of anatase TiO2 doped with transition metals have been analyzed by ab initio band calculations based on the density functional theory with the planewave ultrasoft pseudopotential method. The model structures of transition metal-doped TiO2 were constructed by using the 24-atom 2 × 1 × 1 supercell of anatase TiO2 with one Ti a...

The biologically and nanotechnologically important heme protein cytochrome b(562) was reconstructed with zinc and copper porphyrins, leading to significant changes in the spectral, redox and electron transfer properties. The Cu form shifts the redox potential by +300 mV and exhibits high electron transfer, while the Zn form is redox inert.

The soil solid-liquid distribution coefficient (Kd) value is of great significance in understanding and modelling the environmental behaviour of soil contaminants. For many years, the batch sorption technique has been used for the determination of such values. Here, we propose an alternative 'mini-column' approach in which somewhat more realistic soil conditions are maintained. In particular, t...

A novel cellular response to oxidative stress has been discovered, in which the activity of a molecular chaperone, Hsp33, is modulated by the environmental redox potential. This provides a rapid first defence mechanism against the potentially very harmful toxic effects of oxidative stress.