The geometries and energetics of complexes of Li(+), Na(+), K(+), Be(2+), Mg(2+), and Ca(2+)metal cations with different possible uric acid anions (urate) were studied. The complexes were optimized at the B3LYP level and the 6-311++G(d,p) basis set. Complexes of urate with Mg(2+), and Ca(2+)metal cations were also optimized at the MP2/6-31+G(d) level. Single point energy calculations were perfo...

Under appropriate conditions, the interaction of the plant alkaloid ryanodine with a single cardiac sarcoplasmic reticulum Ca(2+)-release channel results in a profound modification of both channel gating and conduction. On modification, the channel undergoes a dramatic increase in open probability and a change in single-channel conductance. In this paper we aim to provide a mechanistic framewor...

Divalent cations and polysaccharides such as inulin and dextran reversibly inhibited hemolysis of rabbit erythrocytes caused by Vibrio metschnikovii cytolysin. On the basis of the 50% inhibitory doses, the cations were divided into two groups, group I (Cd2+, Cu2+, Ni2+, Sn2+, and Zn2+) and group II (Ba2+, Ca2+, Co2+, Mg2+, Mn2+, and Sr2+). Neither divalent cations nor polysaccharides interfered...

Two new symmetrical bis-thiourea, 2,2'-[{(terephthaloylbis(azanediyl)bis(carbonothioyl) bis(azanediyl)}dipropanoic acid] (1A) and 3,3'-[{(terephthaloylbis(azanediyl)bis (carbonothioyl)bis(azanediyl)} dipropanoic acid] (1B) were synthesized by the reaction of terephthaloyl chloride with α- and β-alanine in good yields. Their binding properties were investigated with various metal cations using U...

Furfuryl cations are generated via a highly efficient bismuth-catalyzed reaction of furfuryl alcohols. This systematic study provides insight on the reactivity profile of furfuryl cations towards nucleophilic substitution reactions. Novel C-C, C-N, C-O and C-S bond forming reactions of furfuryl cations have been developed, thus providing access to a diverse array of building blocks for further ...

Abstract Surfactant‐free one‐step redox reactions between two types of metal cations enable the synthesis core‐shell nanoparticles without sophisticated control. The reduced noble form a solid core, and transition dissolved upon oxidation induce subsequent formation oxide shell. Various nanostructures are obtained from combination reduction‐preferring Au 3+ , Pd 2+ Pt Rh Ir cations, oxidation‐p...

The collision-induced dissociation of lasalocid and monensin A bound to alkali metal cations has been investigated using electrospray MS/MS. The binding affinity for the metal cations, as measured with collision-induced dissociation, was found to depend on their ionic radius, decreasing with increasing radius. Monensin A was observed to have a greater binding affinity for alkali metal cations t...

We examine the role of the condensing agent in the formation of polyelectrolyte bundles, via grand-canonical Monte Carlo simulations. Following recent experiments we use linear, rigid divalent cations of various lengths to induce condensation. Our results clarify and explain the experimental results for short cations. For longer cations we observe novel condensation behavior owing to the alignm...

The assumption commitment also called rely guarantee style has been advocated for the speci cation of interactive components of distri buted systems One of its motivations is to achieve modularity for state transition speci cations of system components It suggests the structuring of speci cations into assumptions about the behavior of the component s environment and into commitments that are fu...