Effect of superfluidity on the structure of the inner crust of neutron stars

A self-consistent, completely quantum calculation of the structure of the inner crust of neutron stars is carried out in the Wigner-Seitz approximation with a realistic phenomenological nuclear energy functional, where pair correlations of neutrons and protons are included in the explicit form. It has been shown that the superfluidity of neutrons and protons affects the structure of the ground state of the crust.     

The matching of electrostatic extrema: A useful method in drug design? A study of phosphodiesterase III inhibitors

Summary Ligands which bind to a specific protein binding site are often expected to have a similar electrostatic environment which complements that of the binding site. One method of assessing molecular electrostatic similarity is to examine the possible overlay of the maxima and minima in the electrostatic potential outside the molecules and thereby match the regions where strong electrostatic interactions, including hydrogen bonds, with the residues of the binding site may be possible. This approach is validated with accurate calculations of the electrostatic potential, derived from a distributed multipole analysis of an ab initio charge density of the molecule, so that the effects of lone pair and -electron density are correctly included. We have applied this method to the phosphodiesterase (PDE) III substrate adenosine-3,5-cyclic monophosphate (cAMP) and a range of nonspecific and specific PDE III inhibitors. Despite the structural variation between cAMP and the inhibitors, it is possible to match three or four extrema to produce relative orientations in which the inhibitors are sufficiently sterically and electrostatically similar to the natural substrate to account for their affinity for PDE III. This matching of extrema is more apparent using the accurate electrostatic models than it was when this approach was first applied, using semiempirical point charge models. These results reinforce the hypothesis of electrostatic similarity and give weight to the technique of extrema matching as a useful tool in drug design.     

Homotopy types for tamely approximable Sobolev maps between manifolds

We define a class ^p (M,N) of Sobolev maps from a manifoldM into a manifoldN, in such a way that each mapu ^p (M, N) has a well defined [p]-homotopy type, providedN satisfies a topological hypothesis. Using this, we prove the existence of minimizers in [p]-homotopy classes for some polyconvex variational problems.     

Determination of heavy metals in real samples by anodic stripping voltammetry with mercury microelectrodes : Part 1. Application to Wine

Differential-pulse anodic stripping voltammetry with a mercury microelectrode is used for the determination of zinc, cadmium, lead and copper in wine at its natural pH without pretreatment. The effects of the matrix on the stripping peaks are studied in detail by varying the concentration of the metals. Intermetallic (CuZn) interferences and the effects of oxygen are described. The results obtained for the labile metal contents varied from 2 μg l^?1 for cadmium to 148 μg l^?1 for zinc; standard addition plots were linear over about two orders of magnitude above these levels, demonstrating the negligible effect of organic matter. Acidification of the sample with hydrochloric acid to pH 1 allowed the total metal contents to be determined. The reliability of the method was tested by comparison with the results obtained with atomic absorption spectrometry; the differences were within 10–20%.     

Particle-vibration coupling: Recent advances in microscopic calculations with the Skyrme Hamiltonian

In this contribution, we report some recent progress in our understanding of particle-vibration coupling (PVC) in nuclei. In particular, we first review the formal development that has allowed some of us to deduce the PVC equations within the Green’s functionmethod. Applications are then discussed, both in the case of single-particle states and giant resonances in magic nuclei. We also present a new model that extends the PVC ansatz and is meant to account for the complete low-lying spectra of odd nuclei.     

Synthesis and Evaluation of Thymol-Based Synthetic Derivatives as Dual-Action Inhibitors against Different Strains of H. pylori and AGS Cell Line

Following a similar approach on carvacrol-based derivatives, we investigated the synthesis and the microbiological screening against eight strains of H. pylori, and the cytotoxic activity against human gastric adenocarcinoma (AGS) cells of a new series of ether compounds based on the structure of thymol. Structural analysis comprehended elemental analysis and ¹H/¹³C/¹⁹F NMR spectra. The analysis of structure–activity relationships within this molecular library of 38 structurally-related compounds reported that some chemical modifications of the OH group of thymol led to broad-spectrum growth inhibition on all isolates. Preferred substitutions were benzyl groups compared to alkyl chains, and the specific presence of functional groups at para position of the benzyl moiety such as 4-CN and 4-Ph endowed the most anti-H. pylori activity toward all the strains with minimum inhibitory concentration (MIC) values up to 4 µg/mL. Poly-substitution on the benzyl ring was not essential. Moreover, several compounds characterized by the lowest minimum inhibitory concentration/minimum bactericidal concentration (MIC/MBC) values against H. pylori were also tested in order to verify a cytotoxic effect against AGS cells with respect to 5-fluorouracil and carvacrol. Three derivatives can be considered as new lead compounds alternative to current therapy to manage H. pylori infection, preventing the occurrence of severe gastric diseases. The present work confirms the possibility to use natural compounds as templates for the medicinal semi-synthesis.     

Codimension one minimal cycles with coefficients inZ orZ p , and variational functionals on fibered spaces

Given a compact, oriented Riemannian manifold M, without boundary, and a codimension-one homology class in H_* (M, Z) (or, respectively, in H_* (M, Z_p) with p an odd prime), we consider the problem of finding a cycle of least area in the given class: this is known as the homological Plateau’s problem. We propose an elliptic regularization of this problem, by constructing suitable fiber bundles ξ (resp. ζ) on M, and one-parameter families of functionals defined on the regular sections of ξ, (resp. ζ), depending on a small parameter ε. As ε → 0, the minimizers of these functionals are shown to converge to some limiting section, whose discontinuity set is exactly the minimal cycle desired.     

Self-consistent description of the inner crust of a neutron star with allowance for superfluidity effects

Within the Wigner-Seitz approximation, a self-consistent fully quantum-mechanical calculation of the structure of the inner crust of a neutron star is performed over a wide range of densities with allowance for superfluidity effects. Within the approach used, the Wigner-Seitz cell consists of a nuclear-like cluster surrounded by a nearly uniform neutron gas. An effective energy functional is constructed by matching, at the cluster surface, the realistic phenomenological nuclear functional for the cluster due to S. A. Fayans and his coauthors and the energy functional calculated microscopically for neutron matter. The microscopic component of the functional is calculated within the Brueckner method by using the v18 Argonne interaction.     

Microscopic theory of strong superfluidity

Various forms of superfluidity in nuclei and nuclear and neutron matter are characterized by the relevance of strong nucleon-nucleon correlations, as well as by gap values, which can be a substantial fraction of the Fermi energy. We present a microscopic many-body theory of nuclear superfluidity. The influence of various physical effects is analyzed within the Green's function formalism and the Bethe-Brueckner-Goldstone expansion. In particular, dispersive effects are discussed in detail. We point out open problems that must be solved before a full understanding of nuclear superfluidity can be achieved.