In this work the behaviour of a novel automotive catalytic converter is theoretically investigated using a multiscale-modelling approach. Processes ranging from the nano-scale (chemical reactions) to the macro-scale (transient conversions in a single monolithic channel of a catalyst) are addressed by different modelling techniques. These independent techniques are combined in a hierarchical mul...

A rhodium( i ) complex bearing a monodentate N-heterocyclic carbene ligand has been confined into the core of amphiphilic core-crosslinked micelles (CCMs).

Platinum, palladium, rhodium, iridium and osmium were found to be enriched relative to their expected natural concentrations in peat samples from Thoreau's Bog, an ombrotrophic peat bog in Concord, Massachusetts. The source of osmium into the bog was determined from its isotopic composition (187Os/188Os). Osmium is composed of 4% lithogenic osmium from atmospheric soil dust, 41% of anthropogeni...

Metals and metal compounds have been used in medicine for several thousands of years. In this review we summarized the anti-cancer activities of the ten most active metals: arsenic, antimony, bismuth, gold, vanadium, iron, rhodium, titanium, gallium and platinum. The first reviewed metal, arsenic, presents the anomaly of displaying anti-cancer and oncogenic properties simultaneously. Some antim...

We present potential energy surfaces for Rh-CO obtained from density functional theory for two electronic states of Rh-CO. We have performed local spin-density calculations including relativistic as well as gradient corrections. The construction of a reasonably accurate atom-atom potential for Rh-CO is not possible. We were much more successful in constructing the potential energy surfaces by r...

Hydroxymethylstearates were made by hydroformylation or oxo reaction of monoand polyunsaturated fats and esters with either rhodium-triphenylphosphine or cobalt carbonyl catalysts. Rhodium-oxo products were hydrogenated with nickel catalyst, whereas, cobalt-oxo products were heated directly under hydrogen pressure. Hydroxymethyl fatty alcohols also were prepared by a two-step copper-cmomite hyd...

Cell-penetrating peptides are widely used to deliver cargo molecules into cells. Here we describe the synthesis, characterization, DNA binding, and cellular uptake studies of a series of metal-peptide conjugates containing oligoarginine as a cell-penetrating peptide. d-Octaarginine units are appended onto a rhodium intercalator containing the sterically expansive chrysenequinone diimine (chrysi...

The metallophilic interactions were investigated within chains of oppositely charged rhodium carbonyl complexes. The cationic [Rh(CO)(2)(L)](+) (L = 2,2'-bipyridine and 1,10-phenanthroline) and anionic [RhCl(2)(CO)(2)](-) units were self-assembled into one dimensional rhodium chains supported by electrostatic interactions. The array of Rh centers in {[Rh(CO)(2)(2,2'-bpy)][RhCl(2)(CO)(2)]}(n) wa...