in this article, theoretical studies on the selective complexation of the halide ions (f¯, cl¯ and br¯) and ion pairs (na+f¯, na+cl¯ and na+br¯) with the cyclic nano-hexapeptide (cp) composed of l-proline have been performed in the gas phase. in order to calculate the dispersion interaction energies of the cp and ions, dft-d3 calculations at the m05-2x-d3/6-31g(d) level was employed. based on t...

Conventional modeling of two-phase dilute suspensions is achieved with the Euler equations for the gas phase and gas dynamics pressureless equations for the dispersed phase, the two systems being coupled by various relaxation terms. The gas phase equations form a hyperbolic system but the particle phase corresponds to a hyperbolic degenerated one. Numerical difficulties are thus present when de...

We study the semileptonic decays of heavy mesons into light pseudoscalars by making use of dispersion relations. Constraints from heavy quark symmetry, chiral symmetry and perturbative QCD are implemented into a dispersive model for the form-factors. Large deviations from B-pole dominance are observed in B → πlν. We discuss the model prediction for this mode and its possible impact on the extra...

Canadian deuterium uranium (CANDU) pressurized heavy-water reactors produce 14C by neutron activation of trace quantities of nitrogen in annular gas and reactor components (14N(n,p)14C), and from 170 in the heavy water moderator by (170(n,a)14C). The radiocarbon produced in the moderator is removed on ion exchange resins incorporated in the water purification systems; however, a much smaller ga...

We study the homogeneous interacting hole gas in p-doped bulk III-V semiconductors. The structure of the valence band is modelled by Luttinger’s Hamiltonian in the spherical approximation, giving rise to heavy and light hole dispersion branches, and the Coulomb repulsion is taken into account via a self-consistent Hartree-Fock treatment. As a nontrivial feature of the model, the self-consistent...

We study the homogeneous interacting hole gas in p-doped bulk III-V semiconductors. The structure of the valence band is modeled by Luttinger’s Hamiltonian in the spherical approximation, giving rise to heavy and light hole dispersion branches, and the Coulomb repulsion is taken into account via a self-consistent HartreeFock treatment. As a nontrivial feature of the model, the self-consistent s...

Obtaining phase information for the solution of macromolecular structures is still one of the bottlenecks in X-ray crystallography. 5-Amino-2,4,6-triiodoisophthalic acid (I3C), in which three covalently bound iodines form an equilateral triangle, was incorporated into proteins in order to obtain phases by single-wavelength anomalous dispersion (SAD). An improved binding capability compared with...

In classic theory, the natural gas generated by organic matter (OM) would become dry with the increase of source rock maturity [1]. Meanwhile, the carbon isotope of gas would become heavy during the evolution process of source rock [2-4]. However, some new characteristics of geochemistry appear in shale gas found in shale with over maturity, such as the isotopic rollover, partial reversal and f...

Heavy exercise increases ventilation-perfusion mismatch and decreases pulmonary gas exchange efficiency. Previous work using magnetic resonance imaging (MRI) arterial spin labeling in athletes has shown that, after 45 min of heavy exercise, the spatial heterogeneity of pulmonary blood flow was increased in recovery. We hypothesized that the heterogeneity of regional specific ventilation (SV, th...