Electronic structure and electric-field gradients analysis in CeIn3CeIn_3

Electric field gradients (EFG's) were calculated for the $CeIn_3$ compound at both $^{115}In$ and $^{140}Ce$ sites. The calculations were performed within the density functional theory (DFT) using the augmented plane waves plus local orbital (APW+lo) method employing the so-called LDA+U scheme. The $CeIn_3$ compound were treated as nonmagnetic, ferromagnetic, and antiferromagnetic cases. Our result shows that the calculated EFG's are dominated at the $^{140}Ce$ site by the Ce-4f states. An approximately linear relation is intuited between the main component of the EFG's and total density of states (DOS) at Fermi level. The EFG's from our LDA+U calculations are in better agreement with experiment than previous EFG results, where appropriate correlations had not been taken into account among 4f-electrons. Our result indicates that correlations among 4f-electrons play an important role in this compound and must be taken into account

BoltzTraP. A code for calculating band-structure dependent quantities

A program for calculating the semi-classic transport coefficients is described. It is based on a smoothed Fourier interpolation of the bands. From this analytical representation we calculate the derivatives necessary for the transport distributions. The method is compared to earlier calculations, which in principle should be exact within Boltzmann theory, and a very convincing agreement is found

Castleberry v. Branscum: A Divided Texas Supreme Court Increases Shareholder Liability for Corporate Contractual Obligations.

Abstract Forthcoming

Castleberry v. Branscum: A Divided Texas Supreme Court Increases Shareholder Liability for Corporate Contractual Obligations.

Abstract Forthcoming

Coordination Dependence of Hyperfine Fields of 5sp Impurities on Ni Surfaces

We present first-principles calculations of the magnetic hyperfine fields H of 5sp impurities on the (001), (111), and (110) surfaces of Ni. We examine the dependence of H on the coordination number by placing the impurity in the surfaces, on top of them at the adatom positions, and in the bulk. We find a strong coordination dependence of H, different and characteristic for each impurity. The behavior is explained in terms of the on-site s-p hybridization as the symmetry is reduced at the surface. Our results are in agreement with recent experimental findings.Comment: 4 pages, 3 figure

Biallelic GINS2 variant p.(Arg114Leu) causes Meier-Gorlin syndrome with craniosynostosis

Contains fulltext : 284813.pdf (Publisher’s version ) (Open Access)INTRODUCTION: Replication of the nuclear genome is an essential step for cell division. Pathogenic variants in genes coding for highly conserved components of the DNA replication machinery cause Meier-Gorlin syndrome (MGORS). OBJECTIVE: Identification of novel genes associated with MGORS. METHODS: Exome sequencing was performed to investigate the genotype of an individual presenting with prenatal and postnatal growth restriction, a craniofacial gestalt of MGORS and coronal craniosynostosis. The analysis of the candidate variants employed bioinformatic tools, in silico structural protein analysis and modelling in budding yeast. RESULTS: A novel homozygous missense variant NM_016095.2:c.341G>T, p.(Arg114Leu), in GINS2 was identified. Both non-consanguineous healthy parents carried this variant. Bioinformatic analysis supports its classification as pathogenic. Functional analyses using yeast showed that this variant increases sensitivity to nicotinamide, a compound that interferes with DNA replication processes. The phylogenetically highly conserved residue p.Arg114 localises at the docking site of CDC45 and MCM5 at GINS2. Moreover, the missense change possibly disrupts the effective interaction between the GINS complex and CDC45, which is necessary for the CMG helicase complex (Cdc45/MCM2-7/GINS) to accurately operate. Interestingly, our patient's phenotype is strikingly similar to the phenotype of patients with CDC45-related MGORS, particularly those with craniosynostosis, mild short stature and patellar hypoplasia. CONCLUSION: GINS2 is a new disease-associated gene, expanding the genetic aetiology of MGORS

Coherent Circulation Changes in the Deep North Atlantic From 16°N and 26°N Transport Arrays

The meridional overturning circulation (MOC) has been measured by boundary arrays in the Atlantic since 2000. Over the past decade of measurements, however, the reported tendencies in overturning circulation strength have differed between 16°N and 26°N. Here we investigate these differences by diagnosing their origin in the observed hydrography, finding that both arrays show deep waters (below 1,100 dbar) at the western boundary becoming fresher and less dense. The associated change in geopotential thickness is about 0.15 m2 s−2 between 2004–2009 and 2010–2014, with the shift occurring between 2009 and 2010 and earlier at 26°N than 16°N. In the absence of a similar density change on the east of the Atlantic, this middepth reduction in water density at the west would drive an increase in the shear between the upper and lower layers of North Atlantic Deep Water of about 2.6 Sv at 26°N and 3.9 Sv at 16°N. These transport anomalies result in an intensifying tendency in the MOC estimate at 16°N, but at 26°N, the method of correcting the geostrophic reference level results in an opposing (reducing) tendency of the MOC. The results indicate that both arrays are observing coherent, low‐frequency changes, but that there remain discrepancies in the methods of addressing the geostrophic reference level for boundary arrays measuring ocean circulation