A comparative study for structural and electronic properties of single-crystal ScN

A comparative study by FP-LAPW calculations based on DFT within LDA, PBE-GGA, EV$_{ex}$-PW$_{co}$-GGA, and EV$_{ex}$-GGA-LDA$_{co}$ schemes is introduced for the structural and electronic properties of ScN in RS, ZB, WZ, and CsCl phases. According to all approximations used in this work, the RS phase is the stable ground state structure and makes a transition to CsCl phase at high transition pressure. While PBE-GGA and EV$_{ex}$-PW$_{co}$-GGA's have provided better structural features such as equilibrium lattice constant and bulk modulus, only EV$_{ex}$-PW$_{co}$-GGA and EV$_{ex}$-GGA-LDA$_{co}$'s have given the non zero, positive indirect energy gap for RS-ScN, comparable with the experimental ones. The indirect band gap of ScN in RS phase is enlarged to the corresponding measured value by EV$_{ex}$-PW$_{co}$-GGA+U$^{SIC}$ calculations in which the Coulomb self and exchange-correlation interactions of the localized d-orbitals of Sc have been corrected by the potential parameter of U. The EV$_{ex}$-PW$_{co}$-GGA calculations have also provided good results for the structural and electronic features of ScN in ZB, WZ, and CsCl phases comparable with the theoretical data available in the literature. EV$_{ex}$-PW$_{co}$-GGA and EV$_{ex}$-PW$_{co}$-GGA+U$^{SIC}$ schemes are considered to be the best ones among the others when the structural and electronic features of ScN are aimed to be calculated by the same exchange-correlation energy approximations.Comment: 13 pages, 8 figure

Constraints on scalar-tensor theories from observations

We study the dynamical description of scalar-tensor gravity by performing the best-fit analysis for two cases of exponential and power-law form of the potential and scalar field function coupled to the curvature. The models are then tested against observational data. The results show that in both scenarios the Universe undergoes an acceleration expansion period and the geometrical equivalent of dark energy is associated with a time-dependent equation of state.Comment: 16 pages, 32 figure

Spinor algebra and null solutions of the wave equation

In this paper we exploit the ideas and formalisms of twistor theory, to show how, on Minkowski space, given a null solution of the wave equation, there are precisely two null directions in $\ker df$, at least one of which is a shear-free ray congruence

Incorporating Betweenness Centrality in Compressive Sensing for Congestion Detection

This paper presents a new Compressive Sensing (CS) scheme for detecting network congested links. We focus on decreasing the required number of measurements to detect all congested links in the context of network tomography. We have expanded the LASSO objective function by adding a new term corresponding to the prior knowledge based on the relationship between the congested links and the corresponding link Betweenness Centrality (BC). The accuracy of the proposed model is verified by simulations on two real datasets. The results demonstrate that our model outperformed the state-of-the-art CS based method with significant improvements in terms of F-Score

Approximation Algorithms for Capacitated k-Travelling Repairmen Problems

We study variants of the capacitated vehicle routing problem. In the multiple depot capacitated k-travelling repairmen problem (MD-CkTRP), we have a collection of clients to be served by one vehicle in a fleet of k identical vehicles based at given depots. Each client has a given demand that must be satisfied, and each vehicle can carry a total of at most Q demand before it must resupply at its original depot. We wish to route the vehicles in a way that obeys the constraints while minimizing the average time (latency) required to serve a client. This generalizes the Multi-depot k-Travelling Repairman Problem (MD-kTRP) [Chekuri and Kumar, IEEE-FOCS, 2003; Post and Swamy, ACM-SIAM SODA, 2015] to the capacitated vehicle setting, and while it has been previously studied [Lysgaard and Wohlk, EJOR, 2014; Rivera et al, Comput Optim Appl, 2015], no approximation algorithm with a proven ratio is known. We give a 42.49-approximation to this general problem, and refine this constant to 25.49 when clients have unit demands. As far as we are aware, these are the first constant-factor approximations for capacitated vehicle routing problems with a latency objective. We achieve these results by developing a framework allowing us to solve a wider range of latency problems, and crafting various orienteering-style oracles for use in this framework. We also show a simple LP rounding algorithm has a better approximation ratio for the maximum coverage problem with groups (MCG), first studied by Chekuri and Kumar [APPROX, 2004], and use it as a subroutine in our framework. Our approximation ratio for MD-CkTRP when restricted to uncapacitated setting matches the best known bound for it [Post and Swamy, ACM-SIAM SODA, 2015]. With our framework, any improvements to our oracles or our MCG approximation will result in improved approximations to the corresponding k-TRP problem

The alternate GNB3 splice variant, Gβ3s, exhibits an altered signalling response to EGF stimulation, which leads to enhanced cell migration

It has recently been reported that the duplication of the GNB3 gene has been shown to be directly linked to an obesity phenotype, both in humans and also in a humanised mouse model. Moreover, the common human GNB3 c.825C>T polymorphism (rs5443) causes this ubiquitously expressed gene to be aberrantly spliced approximately 50% of the time leading to the production of both a normal Gβ3 protein and a truncated, possibly less stable subunit, known as Gβ3s. The presence of the GNB3 825T allele has previously been shown to be associated with predisposition to hypertension, obesity, various cancers, Alzheimers, age related cognitive function, erectile dysfunction as well as a marker for pharmacogenetic drug action. Great controversy, however, currently exists as to whether these phenotypes associated with the 825T allele are a) mainly due to the presence of the smaller, possibly more active, Gβ3s subunit or b) merely down to the haploinsufficiency of the normal GNB3 transcript, due to its frequent aberrant splicing. In order to try and address these two conflicting hypothesis, we report on the identification and characterisation of signalling alterations unique to the presence of Gβ3s protein subunit. Moreover we also show the physiological consequences associated with altered signalling, directly induced by the Gβ3s subunit. For this, we used both an EBV transformed lymphoblast cell line homozygote for GNB3 825T/825T (TT) and a stable Gβ3s expressing recombinant COS-7 clone. In both of these cell lines that express the Gβ3s subunit, we found enhanced cytosolic calcium influx upon stimulation with EGF, TGFα and VEGF ligands, as compared to “normal” GNB3 controls with the 825C/825C (CC) genotype. This aberrant calcium influx also led to an increase in ERK, but not AKT1, phosphorylation. Despite the lack of AKT1 activation, we paradoxically observed a significant increase in phosphorylation of its downstream substrates, namely mTOR and p70S6k (KS6B2). Moreover we observed a decrease in phospho FoxO3a only in Gβ3s expressing cells, but not in the “normal” GNB3 (CC) control cell line. The presence of the Gβ3s subunit also appeared to alter the distinct localisation patterns of both Foxo3a and AKT1, while also increasing the colocalisation of mTOR and p70S6K. Subsequent growth factor stimulation studies revealed that EGF treatment, of Gβ3s expressing cells, appeared to cause a significant decrease in cAMP levels, which, in turn resulted in both enhanced caveolin-1a phosphorylation, and an increase in actin stress fibre formation. The identification of these distinct Gβ3s specific signalling alterations were indicative of a more aggressive migratory phenotype. This led us to further investigate and confirm that the presence of the Gβ3s subunit also appears to cause significantly enhanced migration and robust scratch wound healing kinetics, as compared to cells harbouring only the normal copy of the gene. These data therefore present convincing evidence that the Gβ3s subunit is stable, functional and its presence can significantly alter signalling pathways, in different cell types

Elastic Correlations in Nucleosomal DNA Structure

The structure of DNA in the nucleosome core particle is studied using an elastic model that incorporates anisotropy in the bending energetics and twist-bend coupling. Using the experimentally determined structure of nucleosomal DNA [T.J. Richmond and C.A. Davey, Nature {\bf 423}, 145 (2003)], it is shown that elastic correlations exist between twist, roll, tilt, and stretching of DNA, as well as the distance between phosphate groups. The twist-bend coupling term is shown to be able to capture these correlations to a large extent, and a fit to the experimental data yields a new estimate of G=25 nm for the value of the twist-bend coupling constant