Proposed carbon dioxide sequestration scenarios in sedimentary reservoirs require investigation into the interactions between supercritical carbon dioxide, brines, and the mineral phases found in the basin and overlying caprock. Molecular simulations can help to understand the partitioning of metal cations between aqueous solutions and supercritical carbon dioxide where limited experimental dat...

The conduction properties of the alkaline earth divalent cations were determined in the purified sheep cardiac sarcoplasmic reticulum ryanodine receptor channel after reconstitution into planar phospholipid bilayers. Under bi-ionic conditions there was little difference in permeability among Ba2+, Ca2+, Sr2+, and Mg2+. However, there was a significant difference between the divalent cations and...

The adsorption and desorption of N2O on main-group ion-exchanged ZSM-5 was studied using temperature-programmed desorption (TPD) and density functional theory (DFT) calculations. TPD experiments were carried out to determine the desorbed temperature Tmax corresponding to the maximum mass intensity of N2O desorption peak and adsorption capacity of N2O on metal-ion-exchanged ZSM-5s. The results i...

Selective alkaline and earth metal ion encapsulation by two different Lehn-type cryptands, noted as [3.2.1] [4.1.1], was predicted between them compared on the DFT (B3LYP/LANL2DZp) basis set. Since these cryptands are isomers to well-known [2.2.2] cryptand, cation selectivity of all three cages were compared. The ability host adjust their structure successfully accommodate ions, based energy ge...

A range of complexes based on the high-nuclearity [W36] isopolyoxotungstate cluster, [H12W36O120]12-, with a triangular topology has been isolated by using the organic cation, protonated triethanolamine. In analogy to an 18-crown-6 crown ether with six oxygen donors on a ring, the cluster can form alkali and alkaline earth metal complexes [M within W36] (M = K+, Rb+, Cs+, NH4+, Sr2+ and Ba2+, 1...

This study was carried out in the Ravar plain, a typical arid zone in southeastern Iran, with the objectives of evaluating hydrochemical quality of the groundwater resources and identifying the processes that modify the groundwater composition. Groundwater samples were collected from representative wells spread over the study area. Major cations and anions along with physico-chemical parameters...

Widely available natural layered expandable clay minerals (smectites) can sorb carbon dioxide in their interlayer space under specific conditions and hence may show potential for gas separation or sequestration processes. This work presents experimental adsorption desorption measurements of gaseous, sub-critical (p = 0.1 bar up to 20 bar, T ?20 °C 300 °C) on well-characterized anhydrous smectit...

Recent studies of cardiac and skeletal muscle suggest that the sites at which Mn uncouples excitation and contraction are restricted to a space functionally equivalent to the interstitium. We sought to corroborate this hypothesis by using the ferrocyanide anion, Fe(CN)j{~. This anion is relatively innocuous to myocardial tissue, is compatible with solutions containing alkaline and alkaline eart...

One of the most important features of cell membranes is their capacity to discriminate between ions of different sign or different chemical nature. In the erythrocyte membrane, coulombic forces seem to govern the discrimination between anions and cations. There is reason to believe that, without impeding the movements of anions, positive fixed charges impose a severe restriction on the movement...