Effect of Co substitution on Ni2_{2}MnGe Heusler alloy: ab initio study

Ab initio calculations shown that the Co substitution instead of Ni in Ni$_{2}$MnGe with the L2$_{1}$ crystallographic structure leads to a decrease of the lattice constant and an increase of the total magnetic moment of the Ni$_{2-x}$Co$_{x}$MnGe compounds. The Mn(B) has the largest local moment above $3~\mu_{B}$ coupled parallel to moments on the Ni(A,C) and Co(A,C), which are found in the ranges of $0.19\div0.26~\mu_{B}$ for Ni(A,C) and $1.03\div0.97~\mu_{B}$ for Co(A,C) for studied range of $x$. Using the results stemming from the total energy calculations, the values of bulk modulus and its pressure derivatives are estimated according to the Murnaghan EOS.Comment: 3 pages, 3 figures; The European Conference Physics of Magnetism 2017; submitted to Acta Physica Polonica

Orthorhombic phase of La0.5_{0.5}Bi0.5_{0.5}NiO3_{3} studied by first principles

The aim of presented first principles study of La$_{0.5}$Bi$_{0.5}$NiO$_{3}$ is to investigate electronic structure of orthorhombic phase Pbnm. The calculations show that metallicity and magnetism of the system are strongly related with hybridization between Ni 3d and O 2p. To improve the quality of the electronic structure description of the system, especially the treatment of correlation for the Ni 3d, we employ GGA, LDA, and GGA+U, LDA+U. The LSDA results give good agreement with experiment. Thus, the screening effects originating from the hybridized 3d and O 2p electrons are sufficiently strong that they reduce the electronic correlations in the La$_{0.5}$Bi$_{0.5}$NiO$_{3}$, making it a weakly correlated metal.Comment: 4 pages, 3 figures; The European Conference Physics of Magnetism 2017, submitted to Acta Physica Polonica

Fundamental stellar and accretion disc parameters of the eclipsing binary DQ Velorum

To add to the growing collection of well-studied double periodic variables (DPVs) we have carried out the first spectroscopic and photometric analysis of the eclipsing binary DQ Velorum to obtain its main physical stellar and orbital parameters. Combining spectroscopic and photometric observations that cover several orbital cycles allows us to estimate the stellar properties of the binary components and the orbital parameters. We also searched for circumstellar material around the more massive star. We separated DQ Velorum composite spectra and measured radial velocities with an iterative method for double spectroscopic binaries. We obtained the radial velocity curves and calculated the spectroscopic mass ratio. We compared our single-lined spectra with a grid of synthetic spectra and estimated the temperature of the stars. We modeled the V-band light curve with a fitting method based on the simplex algorithm, which includes an accretion disc. To constrain the main stellar parameters we fixed the mass ratio and donor temperature to the values obtained by our spectroscopic analysis. We obtain donor and gainer masses, the radii, and temperatures for the stellar components. We find that DQ Vel is a semi-detached system consisting of a B3V gainer and an A1III donor star plus an extended accretion disc around the gainer. The disc is filling 89% of the gainer Roche lobe and it has a concave shape that is thicker at its edge than at its centre. We find a significant sub-orbital frequency of 0.19 d^{-1} in the residuals of the V-band light curve, which we interpret as a pulsation of an slowly pulsating B-type (SPB) of a gainer star. We also estimate the distance to the binary (3.1 kpc) using the absolute radii, apparent magnitudes, and effective temperatures of the components found in our study.Comment: 12 pages, 13 Postscript figure

Functional plasticity of antibacterial EndoU toxins.

Bacteria use several different secretion systems to deliver toxic EndoU ribonucleases into neighboring cells. Here, we present the first structure of a prokaryotic EndoU toxin in complex with its cognate immunity protein. The contact-dependent growth inhibition toxin CdiA-CTSTECO31 from Escherichia coli STEC_O31 adopts the eukaryotic EndoU fold and shares greatest structural homology with the nuclease domain of coronavirus Nsp15. The toxin contains a canonical His-His-Lys catalytic triad in the same arrangement as eukaryotic EndoU domains, but lacks the uridylate-specific ribonuclease activity that characterizes the superfamily. Comparative sequence analysis indicates that bacterial EndoU domains segregate into at least three major clades based on structural variations in the N-terminal subdomain. Representative EndoU nucleases from clades I and II degrade tRNA molecules with little specificity. In contrast, CdiA-CTSTECO31 and other clade III toxins are specific anticodon nucleases that cleave tRNAGlu between nucleotides C37 and m2 A38. These findings suggest that the EndoU fold is a versatile scaffold for the evolution of novel substrate specificities. Such functional plasticity may account for the widespread use of EndoU effectors by diverse inter-bacterial toxin delivery systems

UVSat: a concept of an ultraviolet/optical photometric satellite

Time-series photometry from space in the ultraviolet can be presently done with only a few platforms, none of which is able to provide wide-field long-term high-cadence photometry. We present a concept of UVSat, a twin space telescope which will be capable to perform this kind of photometry, filling an observational niche. The satellite will host two telescopes, one for observations in the ultraviolet, the other for observations in the optical band. We also briefly show what science can be done with UVSat.Comment: 6 pages, 2 figures, accepted for publication in the Proceedings of the PAS (Proc. of the 2nd BRITE Science conference, Innsbruck

Role of water in metal catalyst performance for ketone hydrogenation: a joint experimental and theoretical study on levulinic acid conversion into gamma-valerolactone

While Ru is a poor hydrogenation catalyst compared to Pt or Pd in the gas phase, it is efficient under aqueous phase conditions in the hydrogenation of ketones such as the conversion of levulinic acid into gamma-valerolactone. Combining DFT calculations and experiments, we demonstrate that water is responsible for the enhanced reactivity of Ru under those conditions

The O-type eclipsing binary SZ Cam revisited

We analyse new spectra of the multiple system SZ Cam because previous studies found different values of the primary radial velocity amplitude. The older solutions of light curves also have different ratios of secondary to primary luminosity as inferred from the observed equivalent widths of spectral lines. We therefore reanalyse the light curves of the eclipsing pair. Only the light curve derived by Wesselink has a solution that agrees with the observed equivalent width ratio. The resulting parameters of the binary are discussed. Masses of $M_1=16.6$ and $M_2=11.9$ M$_{\odot}$, and radii $R_1=9.4$ and $R_2=5.4$ R$_{\odot}$ are derived. We point out that radial velocities measured with the CCF method can be misleading when the method is applied to multiple systems with complex line blends. New radial velocities are also obtained for the visual component ADS 2984 A (HD 25639).Comment: Astronomy and Astrophysics, accepte