Current Profiles of Molecular Nanowires; DFT Green Function Representation

The Liouville-space Green function formalism is used to compute the current density profile across a single molecule attached to electrodes. Time ordering is maintained in real, physical, time, avoiding the use of artificial time loops and backward propagations. Closed expressions for molecular currents, which only require DFT calculations for the isolated molecule, are derived to fourth order in the molecule/electrode coupling.Comment: 21 page

Supergravity Dual of Noncommutative N=1 SYM

We construct the noncommutative deformation of the Maldacena-Nunez supergravity solution. The background describes a bound state of D5-D3 branes wrapping an S^2 inside a Calabi-Yau three-fold, and in the presence of a magnetic B-field. The dual field theory in the IR is a N=1 U(N) SYM theory with spatial noncommutativity. We show that, under certain conditions, the massive Kaluza-Klein states can be decoupled and that UV/IR mixing seems to be visible in our solution. By calculating the quark-antiquark potential via the Wilson loop we show confinement in the IR and strong repulsion at closer distances. We also compute the beta-function and show that it coincides with the recently calculated commutative one.Comment: 24 pages, latex, 4 figures; v2 references added, correction of a sign mistake in the expression of the curvatur

Causal Bulk Viscous Dissipative Isotropic Cosmologies with Variable Gravitational and Cosmological Constants

We consider the evolution of a flat Friedmann-Robertson-Walker Universe, filled with a causal bulk viscous cosmological fluid, in the presence of variable gravitational and cosmological constants. The basic equation for the Hubble parameter, generalizing the evolution equation in the case of constant gravitational coupling and cosmological term, is derived, under the supplementary assumption that the total energy of the Universe is conserved. By assuming that the cosmological constant is proportional to the square of the Hubble parameter and a power law dependence of the bulk viscosity coefficient, temperature and relaxation time on the energy density of the cosmological fluid, two classes of exact solutions of the field equations are obtained. In the first class of solutions the Universe ends in an inflationary era, while in the second class of solutions the expansion of the Universe is non-inflationary for all times. In both models the cosmological "constant" is a decreasing function of time, while the gravitational "constant" increases in the early period of evolution of the Universe, tending in the large time limit to a constant value.Comment: 14 pages, 15 figure

Subject and object pronouns in high-functioning children with ASD of a null-subject language

Although the use of pronouns has been extensively investigated in children with autism spectrum disorders (ASD), most studies have focused on English, and no study to date has investigated the use of subject pronouns in null subject languages. The present study aims to fill this gap by investigating the use of subject and object pronouns in 5- to 8-year-old Greek-speaking high-functioning children with ASD compared to individually matched typically developing age and language controls. The "Frog where are you" (Mayer, 1969) narrative task was used to elicit subject and object pronouns as well as Determiner Phrases (DPs). Greek is a null subject language, and as a result, subject pronouns most often remain without phonological content. The findings showed that both groups used more null than overt subject pronouns, indicating that children with ASD know that Greek is a null subject language. TD children used more null subjects than subject DPs, whereas children with ASD used an equal proportion of null subjects and subject DPs. In terms of object pronouns, both groups produced more clitics and object DPs than strong object pronouns, but the difference between clitics and DPs did not reach significance in either of the groups. Importantly, the groups did not differ from each other in the use of ambiguous pronouns in both the subject and object position. The ASD children's avoidance to use pronominal subjects can be taken as evidence that they use a strategy to avoid infelicitous reference. This would suggest that the ASD children's difficulties with pronouns is not due to difficulties in core grammar

The supermultiplet of boundary conditions in supergravity

Boundary conditions in supergravity on a manifold with boundary relate the bulk gravitino to the boundary supercurrent, and the normal derivative of the bulk metric to the boundary energy-momentum tensor. In the 3D N=1 setting, we show that these boundary conditions can be stated in a manifestly supersymmetric form. We identify the Extrinsic Curvature Tensor Multiplet, and show that boundary conditions set it equal to (a conjugate of) the boundary supercurrent multiplet. Extension of our results to higher-dimensional models (including the Randall-Sundrum and Horava-Witten scenarios) is discussed.Comment: 22 pages. JHEP format; references added; published versio

Differential effects of clinically used derivatives and metabolites of artemisinin in the activation of constitutive androstane receptor isoforms

BACKGROUND AND PURPOSE Widespread resistance to antimalarial drugs requires combination therapies with increasing risk of pharmacokinetic drugdrug interactions. Here, we explore the capacity of antimalarial drugs to induce drug metabolism via activation of constitutive androstane receptors (CAR) by ligand binding. EXPERIMENTAL APPROACH A total of 21 selected antimalarials and 11 major metabolites were screened for binding to CAR isoforms using cellular and in vitro CAR-coactivator interaction assays, combined with in silico molecular docking. Identified ligands were further characterized by cell-based assays and primary human hepatocytes were used to elucidate induction of gene expression. KEY RESULTS Only two artemisinin derivatives arteether and artemether, the metabolite deoxyartemisinin and artemisinin itself demonstrated agonist binding to the major isoforms CAR1 and CAR3, while arteether and artemether were also inverse agonists of CAR2. Dihydroartemisinin and artesunate acted as weak inverse agonists of CAR1. While arteether showed the highest activities in vitro, it was less active than artemisinin in inducing hepatic CYP3A4 gene expression in hepatocytes. CONCLUSIONS AND IMPLICATIONS Artemisinin derivatives and metabolites differentially affect the activities of CAR isoforms and of the pregnane X receptor (PXR). This negates a common effect of these drugs on CAR/PXR-dependent induction of drug metabolism and further provides an explanation for artemisinin consistently inducing cytochrome P450 genes in vivo, whereas arteether and artemether do not. All these drugs are metabolized very rapidly, but only artemisinin is converted to an enzyme-inducing metabolite. For better understanding of pharmacokinetic drugdrug interaction possibilities, the inducing properties of artemisinin metabolites should be considered.German Federal Ministry of Education and Research (BMBF) HepatosSys network [0313081B, 0313080F, 0313080I]; Deutsche Forschungsgemeinschaft (Germany) [KE 1629/1-1]; Robert Bosch Foundation, Stuttgart, Germanyinfo:eu-repo/semantics/publishedVersio

Modeling neurocognitive and neurobiological recovery in addiction

This book focuses on "what to know" and "how to apply" information, prioritizing novel principles and delineating cutting-edge assessment, phenotyping and treatment tools

Helical Chirality: a Link between Local Interactions and Global Topology in DNA

DNA supercoiling plays a major role in many cellular functions. The global DNA conformation is however intimately linked to local DNA-DNA interactions influencing both the physical properties and the biological functions of the supercoiled molecule. Juxtaposition of DNA double helices in ubiquitous crossover arrangements participates in multiple functions such as recombination, gene regulation and DNA packaging. However, little is currently known about how the structure and stability of direct DNA-DNA interactions influence the topological state of DNA. Here, a crystallographic analysis shows that due to the intrinsic helical chirality of DNA, crossovers of opposite handedness exhibit markedly different geometries. While right-handed crossovers are self-fitted by sequence-specific groove-backbone interaction and bridging Mg2+ sites, left-handed crossovers are juxtaposed by groove-groove interaction. Our previous calculations have shown that the different geometries result in differential stabilisation in solution, in the presence of divalent cations. The present study reveals that the various topological states of the cell are associated with different inter-segmental interactions. While the unstable left-handed crossovers are exclusively formed in negatively supercoiled DNA, stable right-handed crossovers constitute the local signature of an unusual topological state in the cell, such as the positively supercoiled or relaxed DNA. These findings not only provide a simple mechanism for locally sensing the DNA topology but also lead to the prediction that, due to their different tertiary intra-molecular interactions, supercoiled molecules of opposite signs must display markedly different physical properties. Sticky inter-segmental interactions in positively supercoiled or relaxed DNA are expected to greatly slow down the slithering dynamics of DNA. We therefore suggest that the intrinsic helical chirality of DNA may have oriented the early evolutionary choices for DNA topology

A crossmodal crossover: opposite effects of visual and auditory perceptual load on steady-state evoked potentials to irrelevant visual stimuli

Mechanisms of attention are required to prioritise goal-relevant sensory events under conditions of stimulus competition. According to the perceptual load model of attention, the extent to which task-irrelevant inputs are processed is determined by the relative demands of discriminating the target: the more perceptually demanding the target task, the less unattended stimuli will be processed. Although much evidence supports the perceptual load model for competing stimuli within a single sensory modality, the effects of perceptual load in one modality on distractor processing in another is less clear. Here we used steady-state evoked potentials (SSEPs) to measure neural responses to irrelevant visual checkerboard stimuli while participants performed either a visual or auditory task that varied in perceptual load. Consistent with perceptual load theory, increasing visual task load suppressed SSEPs to the ignored visual checkerboards. In contrast, increasing auditory task load enhanced SSEPs to the ignored visual checkerboards. This enhanced neural response to irrelevant visual stimuli under auditory load suggests that exhausting capacity within one modality selectively compromises inhibitory processes required for filtering stimuli in another

Differential cross sections and spin density matrix elements for the reaction gamma p -> p omega

High-statistics differential cross sections and spin density matrix elements for the reaction gamma p -> p omega have been measured using the CLAS at Jefferson Lab for center-of-mass (CM) energies from threshold up to 2.84 GeV. Results are reported in 112 10-MeV wide CM energy bins, each subdivided into cos(theta_CM) bins of width 0.1. These are the most precise and extensive omega photoproduction measurements to date. A number of prominent structures are clearly present in the data. Many of these have not previously been observed due to limited statistics in earlier measurements