Theoretical analysis of magnetic coupling in sandwich clusters V_n(C_6H_6)_{n+1}

The mechanism of ferromagnetism stability in sandwich clusters V$_n$(C$_6$H$_6$)$_{n+1}$ has been studied by first-principles calculation and model analysis. It is found that each of the three types of bonds between V and benzene (Bz) plays different roles. V 3d$_{z^2}$ orbital, extending along the molecular axis, is weakly hybridized with Bz's HOMO-1 orbital to form the $\sigma$-bond. It is quite localized and singly occupied, which contributes 1$\mu_B$ to the magnetic moment but little to the magnetic coupling of neighboring V magnetic moments. The in-plane d$_{x^2-y^2}$, d$_{xy}$ orbitals are hybridized with the LUMO of Bz and constitute the $\delta$-bond. This hybridization is medium and crucial to the magnetic coupling though the $\delta$ states have no net contribution to the total magnetic moment. d$_{xz}$, d$_{yz}$ and HOMO of Bz form a quite strong $\pi$-bond to hold the molecular structure but they are inactive in magnetism because their energy levels are far away from the Fermi level. Based on the results of first-principles calculation, we point out that the ferromagnetism stability is closely related with the mechanism proposed by Kanamori and Terakura [J. Kanamori and K. Terakura, J. Phys. Soc. Jpn. 70, 1433 (2001)]. However, the presence of edge Bz's in the cluster introduces an important modification. A simple model is constructed to explain the essence of the physical picture.Comment: 16 pages, 7 figure

High sensitivity GEM experiment on double beta decay of 76-Ge

The GEM project is designed for the next generation 2 beta decay experiments with 76-Ge. One ton of ''naked'' HP Ge detectors (natural at the first GEM-I phase and enriched in 76-Ge to 86% at the second GEM-II stage) are operating in super-high purity liquid nitrogen contained in the Cu vacuum cryostat (sphere with diameter 5 m). The latest is placed in the water shield. Monte Carlo simulation evidently shows that sensitivity of the experiment (in terms of the T1/2 limit for neutrinoless 2 beta decay) is 10^27 yr with natural HP Ge crystals and 10^28 yr with enriched ones. These bounds corresponds to the restrictions on the neutrino mass less than 0.05 eV and 0.015 eV with natural and enriched detectors, respectively. Besides, the GEM-I set up could advance the current best limits on the existence of neutralinos - as dark matter candidates - by three order of magnitudes, and at the same time would be able to identify unambiguously the dark matter signal by detection of its seasonal modulation.Comment: LaTeX, 20 pages, 4 figure

Theory of optical spectra of polar quantum wells: Temperature effects

Theoretical and numerical calculations of the optical absorption spectra of excitons interacting with longitudinal-optical phonons in quasi-2D polar semiconductors are presented. In II-VI semiconductor quantum wells, exciton binding energy can be tuned on- and off-resonance with the longitudinal-optical phonon energy by varying the quantum well width. A comprehensive picture of this tunning effect on the temperature-dependent exciton absorption spectrum is derived, using the exciton Green's function formalism at finite temperature. The effective exciton-phonon interaction is included in the Bethe-Salpeter equation. Numerical results are illustrated for ZnSe-based quantum wells. At low temperatures, both a single exciton peak as well as a continuum resonance state are found in the optical absorption spectra. By contrast, at high enough temperatures, a splitting of the exciton line due to the real phonon absorption processes is predicted. Possible previous experimental observations of this splitting are discussed.Comment: 10 pages, 9 figures, to appear in Phys. Rev. B. Permanent address: [email protected]

Susceptibility of hamsters to clostridium difficile isolates of differing toxinotype

Clostridium difficile is the most commonly associated cause of antibiotic associated disease (AAD), which caused ~21,000 cases of AAD in 2011 in the U.K. alone. The golden Syrian hamster model of CDI is an acute model displaying many of the clinical features of C. difficile disease. Using this model we characterised three clinical strains of C. difficile, all differing in toxinotype; CD1342 (PaLoc negative), M68 (toxinotype VIII) and BI-7 (toxinotype III). The naturally occurring non-toxic strain colonised all hamsters within 1-day post challenge (d.p.c.) with high-levels of spores being shed in the faeces of animals that appeared well throughout the entire experiment. However, some changes including increased neutrophil influx and unclotted red blood cells were observed at early time points despite the fact that the known C. difficile toxins (TcdA, TcdB and CDT) are absent from the genome. In contrast, hamsters challenged with strain M68 resulted in a 45% mortality rate, with those that survived challenge remaining highly colonised. It is currently unclear why some hamsters survive infection, as bacterial and toxin levels and histology scores were similar to those culled at a similar time-point. Hamsters challenged with strain BI-7 resulted in a rapid fatal infection in 100% of the hamsters approximately 26 hr post challenge. Severe caecal pathology, including transmural neutrophil infiltrates and extensive submucosal damage correlated with high levels of toxin measured in gut filtrates ex vivo. These data describes the infection kinetics and disease outcomes of 3 clinical C. difficile isolates differing in toxin carriage and provides additional insights to the role of each toxin in disease progression

Effects of external nutrient sources and extreme weather events on the nutrient budget of a Southern European coastal lagoon

The seasonal and annual nitrogen (N), phosphorus (P), and carbon (C) budgets of the mesotidal Ria Formosa lagoon, southern Portugal, were estimated to reveal the main inputs and outputs, the seasonal patterns, and how they may influence the ecological functioning of the system. The effects of extreme weather events such as long-lasting strong winds causing upwelling and strong rainfall were assessed. External nutrient inputs were quantified; ocean exchange was assessed in 24-h sampling campaigns, and final calculations were made using a hydrodynamic model of the lagoon. Rain and stream inputs were the main freshwater sources to the lagoon. However, wastewater treatment plant and groundwater discharges dominated nutrient input, together accounting for 98, 96, and 88 % of total C, N, and P input, respectively. Organic matter and nutrients were continuously exported to the ocean. This pattern was reversed following extreme events, such as strong winds in early summer that caused upwelling and after a period of heavy rainfall in late autumn. A principal component analysis (PCA) revealed that ammonium and organic N and C exchange were positively associated with temperature as opposed to pH and nitrate. These variables reflected mostly the benthic lagoon metabolism, whereas particulate P exchange was correlated to Chl a, indicating that this was more related to phytoplankton dynamics. The increase of stochastic events, as expected in climate change scenarios, may have strong effects on the ecological functioning of coastal lagoons, altering the C and nutrient budgets.Portuguese Science and Technology Foundation (FCT) [POCI/MAR/58427/2004, PPCDT/MAR/58427/2004]; Portuguese Science and Technology Foundation (FCT

Learning lessons from the 2011 Van Earthquake to enhance healthcare surge capacity in Turkey

Historically, Turkey has adopted a reactive approach to natural hazards which resulted in significant losses. However, following the 1999 Kocaeli Earthquake, a more proactive approach has been adopted. This study aims to explore the way this new approach operates on the ground. A multi-national and multi-disciplinary team conducted a field investigation following the 2011 Van Earthquake to identify lessons to inform healthcare emergency planning in Turkey and elsewhere. The team interviewed selected stakeholders including, healthcare emergency responders, search and rescue services, ambulance services, and health authority representatives, in addition to conducting a focus group. Data were analysed according to an open coding process and SWOT analysis. The findings suggest that the approach succeeded in developing a single vision by consolidating official efforts in a more structured way, mobilising many governmental and non-governmental organisations, securing significant amounts of resources including physical and human, and increasing the resilience and flexibility of infrastructure to expand its capacity. However, more attention is required to the development of stronger management procedures and acquisition of further resources

Improved Measurement of the K+ to pi+ nu nubar Branching Ratio

An additional event near the upper kinematic limit for K+ to pi+ nu nubar has been observed by Experiment E949 at Brookhaven National Laboratory. Combining previously reported and new data, the branching ratio is B(K+ to pi+ nu nubar)= 1.47 (+1.30, - 0.89) x 10-10 based on three events observed in the pion momentum region 211<P<229 MeV/c. At the measured central value of the branching ratio, the additional event had a signal-to-background ratio of 0.9

Binding Energy of Charged Excitons in ZnSe-based Quantum Wells

Excitons and charged excitons (trions) are investigated in ZnSe-based quantum well structures with (Zn,Be,Mg)Se and (Zn,Mg)(S,Se) barriers by means of magneto-optical spectroscopy. Binding energies of negatively () and positively (X+) charged excitons are measured as functions of quantum well width, free carrier density and in external magnetic fields up to 47 T. The binding energy of shows a strong increase from 1.4 to 8.9 meV with decreasing quantum well width from 190 to 29 A. The binding energies of X+ are about 25% smaller than the binding energy in the same structures. The magnetic field behavior of and X+ binding energies differ qualitatively. With growing magnetic field strength, increases its binding energy by 35-150%, while for X+ it decreases by 25%. Zeeman spin splittings and oscillator strengths of excitons and trions are measured and discussed