Valence band excitations in V_2O_5

We present a joint theoretical and experimental investigation of the electronic and optical properties of vanadium pentoxide. Electron energy-loss spectroscopy in transmission was employed to measure the momentum-dependent loss function. This in turn was used to derive the optical conductivity, which is compared to the results of band structure calculations. A good qualitative and quantitative agreement between the theoretical and the experimental optical conductivity was observed. The experimentally observed anisotropy of the optical properties of V_2O_5 could be understood in the light of an analysis of the theoretical data involving the decomposition of the calculated optical conductivity into contributions from transitions into selected energy regions of the conduction band. In addition, based upon a tight binding fit to the band structure, values are given for the effective V3d_xy-O2p hopping terms and are compared to the corresponding values for alpha'-NaV_2O_5.Comment: 6 pages (revtex),6 figures (jpg

Electronic structure, phase stability and chemical bonding in Th2_2Al and Th2_2AlH4_4

We present the results of theoretical investigation on the electronic structure, bonding nature and ground state properties of Th$_2$Al and Th$_2$AlH$_4$ using generalized-gradient-corrected first-principles full-potential density-functional calculations. Th$_2$AlH$_4$ has been reported to violate the "2 \AA rule" of H-H separation in hydrides. From our total energy as well as force-minimization calculations, we found a shortest H-H separation of 1.95 {\AA} in accordance with recent high resolution powder neutron diffraction experiments. When the Th$_2$Al matrix is hydrogenated, the volume expansion is highly anisotropic, which is quite opposite to other hydrides having the same crystal structure. The bonding nature of these materials are analyzed from the density of states, crystal-orbital Hamiltonian population and valence-charge-density analyses. Our calculation predicts different nature of bonding for the H atoms along $a$ and $c$. The strongest bonding in Th$_2$AlH$_4$ is between Th and H along $c$ which form dumb-bell shaped H-Th-H subunits. Due to this strong covalent interaction there is very small amount of electrons present between H atoms along $c$ which makes repulsive interaction between the H atoms smaller and this is the precise reason why the 2 {\AA} rule is violated. The large difference in the interatomic distances between the interstitial region where one can accommodate H in the $ac$ and $ab$ planes along with the strong covalent interaction between Th and H are the main reasons for highly anisotropic volume expansion on hydrogenation of Th$_2$Al.Comment: 14 pages, 9 figure

Preschool Children and Behaviour Problems: A Prospective Study

Toddler/child behaviour problems have received relatively little previous attention. Prior studies have implicated a wide variety of factors in the aetiology of child behaviour problems but many of these factors are correlated and little is known about their independent contributions. Four broad categories of factors have been associated with child behaviour problems: (1) maternal social and economic characteristics; (2) maternal lifestyle; (3) maternal mental state/child-rearing practices; and (4) maternal and child physical health. The study took a sample of 5296 families from the Mater-University of Queensland Study of Pregnancy (MUSP) for whom 5-year prospective data are available. The major predictors of toddler behaviour problems were the mother's and child's health, and the mother's mental state. The mother's sociostructural characteristics and lifestyle made little or no additional contribution to the prediction models. It is, however, salutary to note that the majority of children who are classified as having high levels of troublesome behaviour do not fall into any of the risk categories. A variety of explanations and interpretations of the data is considered

Institutions, policies, and arguments:context and strategy in EU policy framing

Studies of framing in the EU political system are still a rarity and they suffer from a lack of systematic empirical analysis. Addressing this gap, we ask if institutional and policy contexts intertwined with the strategic side of framing can explain the number and types of frames employed by different stakeholders. We use a computer-assisted manual content analysis and develop a fourfold typology of frames to study the frames that were prevalent in the debates on four EU policy proposals within financial market regulation and environmental policy at the EU level and in Germany, Sweden, the Netherlands and the United Kingdom. The main empirical finding is that both contexts and strategies exert a significant impact on the number and types of frames in EU policy debates. In conceptual terms, the article contributes to developing more fine-grained tools for studying frames and their underlying dimensions

The initial mass function : from Salpeter 1955 to 2005

Fifty years after Ed Salpeter's seminal paper, tremendous progress both on the observational and theoretical sides allow a fairly accurate determination of the Galactic IMF not only down to the hydrogen-burning limit but into the brown dwarf domain. The present review includes the most recent observations of low-mass stars and brown dwarfs to determine this IMF and the related Galactic mass budget. The IMF definitely exhibits a similar behaviour in various environments, disk, young and globular clusters, spheroid. Small scale dissipation of large scale compressible MHD turbulence seems to be the underlying triggering mechanism for star formation. Modern simulations of compressible MHD turbulence yield an IMF consistent with the one derived from observations.Comment: 10 pages. Invited review "IMF@50" in honor of E. Salpete

Geographical and temporal distribution of SARS-CoV-2 clades in the WHO European Region, January to June 2020

We show the distribution of SARS-CoV-2 genetic clades over time and between countries and outline potential genomic surveillance objectives. We applied three available genomic nomenclature systems for SARS-CoV-2 to all sequence data from the WHO European Region available during the COVID-19 pandemic until 10 July 2020. We highlight the importance of real-time sequencing and data dissemination in a pandemic situation. We provide a comparison of the nomenclatures and lay a foundation for future European genomic surveillance of SARS-CoV-2.Peer reviewe

IBD risk loci are enriched in multigenic regulatory modules encompassing putative causative genes.

GWAS have identified >200 risk loci for Inflammatory Bowel Disease (IBD). The majority of disease associations are known to be driven by regulatory variants. To identify the putative causative genes that are perturbed by these variants, we generate a large transcriptome data set (nine disease-relevant cell types) and identify 23,650 cis-eQTL. We show that these are determined by ∼9720 regulatory modules, of which ∼3000 operate in multiple tissues and ∼970 on multiple genes. We identify regulatory modules that drive the disease association for 63 of the 200 risk loci, and show that these are enriched in multigenic modules. Based on these analyses, we resequence 45 of the corresponding 100 candidate genes in 6600 Crohn disease (CD) cases and 5500 controls, and show with burden tests that they include likely causative genes. Our analyses indicate that ≥10-fold larger sample sizes will be required to demonstrate the causality of individual genes using this approach

Dust in Supernovae and Supernova Remnants II: Processing and survival

Observations have recently shown that supernovae are efficient dust factories, as predicted for a long time by theoretical models. The rapid evolution of their stellar progenitors combined with their efficiency in precipitating refractory elements from the gas phase into dust grains make supernovae the major potential suppliers of dust in the early Universe, where more conventional sources like Asymptotic Giant Branch (AGB) stars did not have time to evolve. However, dust yields inferred from observations of young supernovae or derived from models do not reflect the net amount of supernova-condensed dust able to be expelled from the remnants and reach the interstellar medium. The cavity where the dust is formed and initially resides is crossed by the high velocity reverse shock which is generated by the pressure of the circumstellar material shocked by the expanding supernova blast wave. Depending on grain composition and initial size, processing by the reverse shock may lead to substantial dust erosion and even complete destruction. The goal of this review is to present the state of the art about processing and survival of dust inside supernova remnants, in terms of theoretical modelling and comparison to observations