Many-body approach to infinite non-periodic systems: application to the surface of semi-infinite jellium

A method to implement the many-body Green function formalism in the GW approximation for infinite non periodic systems is presented. It is suitable to treat systems of known ``asymptotic'' properties which enter as boundary conditions, while the effects of the lower symmetry are restricted to regions of finite volume. For example, it can be applied to surfaces or localized impurities. We illustrate the method with a study of the surface of semi-infinite jellium. We report the dielectric function, the effective potential and the electronic self-energy discussing the effects produced by the screening and by the charge density profile near the surface.Comment: 11 pages, 4 figure

Charge redistribution in the formation of one-dimensional lithium wires on Cu(001)

We describe the formation of one-dimensional lithium wires on a Cu(001) substrate, providing an atomic-scale description of the onset of metallization in this prototypical adsorption system. A combination of helium atom scattering and density-functional theory reveals pronounced changes in the electronic charge distribution on the formation of the c(5√2×√2)R45° Li/Cu(001) structure, as in-plane bonds are created. Charge donation from Li-substrate bonds is found to facilitate the formation of stable, bonded, and depolarized chains of Li adatoms that coexist with an interleaved phase of independent adatoms. The resultant overlayer has a commensurate charge distribution and lattice modulations but differs fundamentally from structurally similar charge-density wave systems

Heat Capacity Mapping Mission (HCMM) program: Study of geological structure of Sicily and other Italian areas

The usefulness of thermal inertia mapping in discriminating geolithological units was investigated using Sardinia and the Gulf of Orosei as test sites. Software designed for LANDSAT data were modified and improved for HCMM tapes. A first attempt was made to compare the geological cross section, the topography, the IR radiance, and the thermal inertia along selected profiles of the test site. Thermal inertia profiles appear smoothed in comparison with the thermal radiance. The lowest apparent thermal inertia (ATI) was found on granitic and basaltic outcrops where their image is of sufficient extent, while ATI is higher on carbonatic and dolomitic or moist deposits. Almost every fault is marked by a jump of ATI, the interval being sometimes of the order of one pixel. This seems to demonstrate the ability of ATI to detect contacts or tectonically disturbed zones with a good resolution. It seems more difficult to measure the differences in ATI between homogeneous materials having different lithology. Ground surveys conducted and a simulation model of diurnal temperatures of rocks having different thermal inertia are discussed

On the ab initio calculation of CVV Auger spectra in closed-shell systems

We propose an ab initio method to evaluate the core-valence-valence (CVV) Auger spectrum of systems with filled valence bands. The method is based on the Cini-Sawatzky theory, and aims at estimating the parameters by first-principles calculations in the framework of density-functional theory (DFT). Photoemission energies and the interaction energy for the two holes in the final state are evaluated by performing DFT simulations for the system with varied population of electronic levels. Transition matrix elements are taken from atomic results. The approach takes into account the non-sphericity of the density of states of the emitting atom, spin-orbit interaction in core and valence, and non quadratic terms in the total energy expansion with respect to fractional occupation numbers. It is tested on two benchmark systems, Zn and Cu metals, leading in both cases to L23M45M45 Auger peaks within 2 eV from the experimental ones. Detailed analysis is presented on the relative weight of the various contributions considered in our method, providing the basis for future development. Especially problematic is the evaluation of the hole-hole interaction for systems with broad valence bands: our method underestimates its value in Cu, while we obtain excellent results for this quantity in Zn.Comment: 20 pages, 5 figures, 4 table

The return to quiescence of Aql X-1 following the 2010 outburst

Aql X-1 is the most prolific low mass X-ray binary transient hosting a neutron star. In this paper we focus on the return to quiescence following the 2010 outburst of the source. This decay was monitored thanks to 11 pointed observations taken with XMM-Newton, Chandra and Swift. The decay from outburst to quiescence is very fast, with an exponential decay characteristic time scale of ~2 d. Once in quiescence the X-ray flux of Aql X-1 remained constant, with no further signs of variability or decay. The comparison with the only other well-monitored outburst from Aql X-1 (1997) is tail-telling. The luminosities at which the fast decay starts are fully compatible for the two outbursts, hinting at a mechanism intrinsic to the system and possibly related to the neutron star rotation and magnetic field (i.e., the propeller effect). In addition, for both outbursts, the decay profiles are also very similar, likely resulting from the shut-off of the accretion process onto the neutron star surface. Finally, the quiescent neutron star temperatures at the end of the outbursts are well consistent with one another, suggesting a hot neutron star core dominating the thermal balance. Small differences in the quiescent X-ray luminosity among the two outbursts can be attributed to a different level of the power law component.Comment: MNRAS accepted (4 figures and 6 tables

Chronic Restraint Stress Inhibits the Response to a Second Hit in Adult Male Rats : A Role for BDNF Signaling

Depression is a recurrent disorder, with about 50% of patients experiencing relapse. Exposure to stressful events may have an adverse impact on the long-term course of the disorder and may alter the response to a subsequent stressor. Indeed, not all the systems impaired by stress may normalize during symptoms remission, facilitating the relapse to the pathology. Hence, we investigated the long-lasting effects of chronic restraint stress (CRS) and its influence on the modifications induced by the exposure to a second hit on brain-derived neurotrophic factor (BDNF) signaling in the prefrontal cortex (PFC). We exposed adult male Sprague Dawley rats to 4 weeks of CRS, we left them undisturbed for the subsequent 3 weeks, and then we exposed animals to one hour of acute restraint stress (ARS). We found that CRS influenced the release of corticosterone induced by ARS and inhibited the ability of ARS to activate mature BDNF, its receptor Tropomyosin receptor kinase B (TRKB), and their associated intracellular cascades: the TRKB-PI3K-AKT), the MEK-MAPK/ERK, and the Phospholipase C \u3b3 (PLC\u3b3) pathways, positively modulated by ARS in non-stressed animals. These results suggest that CRS induces protracted and detrimental consequences that interfere with the ability of PFC to cope with a challenging situation

The absence of serotonin in the brain alters acute stress responsiveness by interfering with the genomic function of the glucocorticoid receptors

Alterations in serotonergic transmission have been related to a major predisposition to develop psychiatric pathologies, such as depression. We took advantage of tryptophan hydroxylase (TPH) 2 deficient rats, characterized by a complete absence of serotonin in the brain, to evaluate whether a vulnerable genotype may influence the reaction to an acute stressor. In this context, we investigated if the glucocorticoid receptor (GR) genomic pathway activation was altered by the lack of serotonin in the central nervous system. Moreover, we analyzed the transcription pattern of the clock genes that can be affected by acute stressors. Adult wild type (TPH2(+/+)) and TPH2-deficient (TPH2(-/-)) male rats were sacrificed after exposure to one single session of acute restraint stress. Protein and gene expression analyses were conducted in the prefrontal cortex (PFC). The acute stress enhanced the translocation of GRs in the nucleus of TPH2(+/+) animals. This effect was blunted in TPH2(-/-) rats, suggesting an impairment of the GR genomic mechanism. This alteration was mirrored in the expression of GR-responsive genes: acute stress led to the up-regulation of GR-target gene expression in TPH2(+/+), but not in TPH2(-/-) animals. Finally, clock genes were differently modulated in the two genotypes after the acute restraint stress. Overall our findings suggest that the absence of serotonin within the brain interferes with the ability of the HPA axis to correctly modulate the response to acute stress, by altering the nuclear mechanisms of the GR and modulation of clock genes expression

Resonant Lifetime of Core-Excited Organic Adsorbates from First Principles

We investigate by first-principles simulations the resonant electron-transfer lifetime from the excited state of an organic adsorbate to a semiconductor surface, namely isonicotinic acid on rutile TiO$_2$(110). The molecule-substrate interaction is described using density functional theory, while the effect of a truly semi-infinite substrate is taken into account by Green's function techniques. Excitonic effects due to the presence of core-excited atoms in the molecule are shown to be instrumental to understand the electron-transfer times measured using the so-called core-hole-clock technique. In particular, for the isonicotinic acid on TiO$_2$(110), we find that the charge injection from the LUMO is quenched since this state lies within the substrate band gap. We compute the resonant charge-transfer times from LUMO+1 and LUMO+2, and systematically investigate the dependence of the elastic lifetimes of these states on the alignment among adsorbate and substrate states.Comment: 24 pages, 6 figures, to appear in Journal of Physical Chemistry

Centella asiatica l. Phytosome improves cognitive performance by promoting bdnf expression in rat prefrontal cortex

A wide range of people in the world use natural remedies as primary approaches against illnesses. Accordingly, understanding the mechanisms of action of phytochemicals has become of great interest. In this context, Centella asiatica L. is extensively used, not only as anti-inflammatory or antioxidant agent but also as brain tonic. On this basis, the purpose of this study was to evaluate whether the chronic administration of C. asiatica L. to adult male rats was able to improve the expression of Bdnf, one of the main mediators of brain plasticity. Moreover, we assessed whether the treatment could affect the cognitive performance in the novel object recognition (NOR) test. We confirmed the presence of the main compounds in the plasma. Furthermore, C. asiatica L. administration induced an increase of Bdnf in the prefrontal cortex, and the administration of the higher dose of the extract was able to improve cognitive performance. Finally, the increase in the preference index in the NOR test was paralleled by a further increase in Bdnf expression. Overall, we highlight the ability of C. asiatica L. to affect brain functions by increasing Bdnf expression and by enhancing the cognitive performance