Near threshold rotational excitation of molecular ions by electron-impact

New cross sections for the rotational excitation of H$_3^+$ by electrons are calculated {\it ab initio} at low impact energies. The validity of the adiabatic-nuclei-rotation (ANR) approximation, combined with $R$-matrix wavefunctions, is assessed by comparison with rovibrational quantum defect theory calculations based on the treatment of Kokoouline and Greene ({\it Phys. Rev. A} {\bf 68} 012703 2003). Pure ANR excitation cross sections are shown to be accurate down to threshold, except in the presence of large oscillating Rydberg resonances. These resonances occur for transitions with $\Delta J=1$ and are caused by closed channel effects. A simple analytic formula is derived for averaging the rotational probabilities over such resonances in a 3-channel problem. In accord with the Wigner law for an attractive Coulomb field, rotational excitation cross sections are shown to be large and finite at threshold, with a significant but moderate contribution from closed channels.Comment: 3 figures, a5 page

Properties of superconductor/ferromagnet structures with spin-dependent scattering

We investigate superconductor/ferromagnet (S/F) hybrid structures in the dirty limit, described by the Usadel equations. More precisely, the oscillations of the critical temperature and critical current with the thickness of the ferromagnetic layers are studied. We show that spin-flip and spin-orbit scattering lead to the decrease of the decay length and the increase of the oscillation period. The critical current decay is more sensitive to these pair-breaking mechanisms than that of the critical temperature. These two scattering mechanisms should be taken into account to get a better agreement between experimental results and theoretical descriptions. We also study the influence of the interface transparency on the properties of S/F structures

Quasi-classical rate coefficient calculations for the rotational (de)excitation of H2O by H2

The interpretation of water line emission from existing observations and future HIFI/Herschel data requires a detailed knowledge of collisional rate coefficients. Among all relevant collisional mechanisms, the rotational (de)excitation of H2O by H2 molecules is the process of most interest in interstellar space. To determine rate coefficients for rotational de-excitation among the lowest 45 para and 45 ortho rotational levels of H2O colliding with both para and ortho-H2 in the temperature range 20-2000 K. Rate coefficients are calculated on a recent high-accuracy H2O-H2 potential energy surface using quasi-classical trajectory calculations. Trajectories are sampled by a canonical Monte-Carlo procedure. H2 molecules are assumed to be rotationally thermalized at the kinetic temperature. By comparison with quantum calculations available for low lying levels, classical rates are found to be accurate within a factor of 1-3 for the dominant transitions, that is those with rates larger than a few 10^{-12}cm^{3}s^{-1}. Large velocity gradient modelling shows that the new rates have a significant impact on emission line fluxes and that they should be adopted in any detailed population model of water in warm and hot environments.Comment: 8 pages, 2 figures, 1 table (the online material (4 tables) can be obtained upon request to [email protected]

Rotational Excitation of HC_3N by H_2 and He at low temperatures

Rates for rotational excitation of HC3N by collisions with He atoms and H2 molecules are computed for kinetic temperatures in the range 5-20K and 5-100K, respectively. These rates are obtained from extensive quantum and quasi-classical calculations using new accurate potential energy surfaces (PES)

Upper bound on the density of Ruelle resonances for Anosov flows

Using a semiclassical approach we show that the spectrum of a smooth Anosov vector field V on a compact manifold is discrete (in suitable anisotropic Sobolev spaces) and then we provide an upper bound for the density of eigenvalues of the operator (-i)V, called Ruelle resonances, close to the real axis and for large real parts.Comment: 57 page

Entropy of complex relevant components of Boolean networks

Boolean network models of strongly connected modules are capable of capturing the high regulatory complexity of many biological gene regulatory circuits. We study numerically the previously introduced basin entropy, a parameter for the dynamical uncertainty or information storage capacity of a network as well as the average transient time in random relevant components as a function of their connectivity. We also demonstrate that basin entropy can be estimated from time-series data and is therefore also applicable to non-deterministic networks models.Comment: 8 pages, 6 figure

The small quinolone derived compound HT61 enhances the effect of tobramycin against Pseudomonas aeruginosa in vitro and in vivo.

HT61 is a small quinolone-derived compound previously demonstrated to exhibit bactericidal activity against gram-positive bacteria including methicillin-susceptible Staphylococcus aureus (MSSA) and methicillin-resistant Staphylococcus aureus (MRSA). When combined with the classical antibiotics and antiseptics neomycin, gentamicin, mupirocin and chlorhexidine, HT61 demonstrated synergistic bactericidal activity against both MSSA and MRSA infections in vitro. In this study, we investigated the individual antimicrobial activity of HT61 alongside its capability to increase the efficacy of tobramycin against both a tobramycin sensitive laboratory reference strain (PAO1) and tobramycin resistant clinical isolates (RP73, NN2) of the gram-negative bacteria Pseudomonas aeruginosa (P. aeruginosa). Using broth microdilution methods, the MICs of HT61 against all strains were assessed, as well as the effect of HT61 in combination with tobramycin using both the chequerboard method and bacterial time-kill assays. A murine model of pulmonary infection was also used to evaluate the combination therapy of tobramycin and HT61 in vivo. In these studies, we demonstrated significant synergism between HT61 and Tobramycin against the tobramycin resistant P. aeruginosa strains RP73 and NN2, whilst an additive/intermediate effect was observed for P. aeruginosa strain PA01 which was further confirmed using bacterial time kill analysis. In addition, the enhancement of tobramycin by HT61 was also evident in in vitro assays of biofilm eradication. Finally, in vivo studies revealed analogous effects to those observed in vitro with HT61 when administered in combination with tobramycin against each of the three P. aeruginosa strains at the highest tested dose (10 mg/kg)