Stark Broadening of Sn III Spectral Lines of Astrophysical Interest: Predictions and Regularities

The determination of the Stark broadening parameters of Sn ions is useful for astrophysicists interested in the determination of the density of electrons in stellar atmospheres. In this paper, we report on the calculated values of the Stark broadening parameters for 171 lines of Sn iii arising from 4d105sns (n= 6–9), 4d105snp (n= 5, 6), 4d105p2, 4d105snd (n= 5–7), 4d105s4f and 4d105s5g. Stark linewidths and line shifts are presented for an electron density of 1023 m−3 and temperatures T= 11 000–75 000 K. These have been calculated using a semi-empirical approach, with a set of wavefunctions obtained from Hartree–Fock relativistic calculations, including core polarization effects. The results obtained have been compared with available experimental data. These can be used to consider the influence of Stark broadening effects in A-type stellar atmospheres

Statistical Calculation of the Main Reliability Functions of GaAs Concentrator III-V Solar Cells

This paper presents some of the results of a method to determine the main reliability functions of concentrator solar cells. High concentrator GaAs single junction solar cells have been tested in an Accelerated Life Test. The method can be directly applied to multi-junction solar cells. The main conclusions of this test carried out show that these solar cells are robust devices with a very low probability of failure caused by degradation during their operation life (more than 30 years). The evaluation of the probability operation function (i.e. the reliability function R(t)) is obtained for two nominal operation conditions of these cells, namely simulated concentration ratios of 700 and 1050 suns. Preliminary determination of the Mean Time to Failure indicates a value much higher than the intended operation life time of the concentrator cells.

Modeling iron-catecholates binding to NGAL protein

Neutrophil gelatinase associated lipocalin (NGAL) protein is attracting a great interest because of its antibacterial properties played upon modulating iron content in competition against iron acquisition processes developed by pathogenic bacteria that bind selective ferric iron chelators (siderophores). Besides its known high affinity to enterobactin, the most important siderophore, it has been recently shown that NGAL is able to bind Fe(III) coordinated by catechols. The selective binding of Fe(III)-catechol ligands to NGAL is here studied by using iron coordination structures with one, two, and three catecholate ligands. By means of a computational approach that consists of B3LYP/6-311G(d,p) quantum calculations for geometries, electron properties and electrostatic potentials of ligands, protein–ligand flexible docking calculations, analyses of protein–ligand interfaces, and Poisson–Boltzmann electrostatic potentials for proteins, we study the binding of iron catecholate ligands to NGAL as a central member of the lipocalin family of proteins. This approach provides a modeling basis for exploring in silico the selective binding of iron catecholates ligands giving a detailed picture of their interactions in terms of electrostatic effects and a network of hydrogen bonds in the protein binding pocket.