On the potential application of DFT methods in predicting the interaction-induced electric properties of molecular complexes. Molecular H-bonded chains as a case of study

A detailed analysis of the selected DFT functionals for the calculations of interaction-induced dipole moment, polarizability and first-order hyperpolarizability has been carried out. The hydrogen-bonded model chains consisting of HF, H2CO and H3N molecules have been chosen as a case study. The calculations of the components of the static electric properties using the diffuse Dunning’s basis set (aug-cc-pVDZ) have been performed employing different types of density functionals (B3LYP, LC-BLYP, PBE0, M06-2X and CAM-B3LYP). Obtained results have been compared with those gained at the CCSD(T) level of theory. The counterpoise correction scheme, namely site-site function counterpoise, has been applied in order to eliminate basis set superposition error. The performed tests allow to conclude that the DFT functionals can provide a useful tool for prediction of the interaction-induced electric properties, however a caution has to be urged to their decomposition to the two- and many-body terms

Spin entanglement, decoherence and Bohm's EPR paradox

We obtain criteria for entanglement and the EPR paradox for spin-entangled particles and analyse the effects of decoherence caused by absorption and state purity errors. For a two qubit photonic state, entanglement can occur for all transmission efficiencies. In this case, the state preparation purity must be above a threshold value. However, Bohm's spin EPR paradox can be achieved only above a critical level of loss. We calculate a required efficiency of 58%, which appears achievable with current quantum optical technologies. For a macroscopic number of particles prepared in a correlated state, spin entanglement and the EPR paradox can be demonstrated using our criteria for efficiencies {\eta} > 1/3 and {\eta} > 2/3 respectively. This indicates a surprising insensitivity to loss decoherence, in a macroscopic system of ultra-cold atoms or photons.Comment: 4 pages 3 figure

Low prevalence of H. pylori Infection in HIV-Positive Patients in the Northeast of Brazil

<p>Abstract</p> <p>Background</p> <p>This study conducted in Northeastern Brazil, evaluated the prevalence of <it>H. pylori </it>infection and the presence of gastritis in HIV-infected patients.</p> <p>Methods</p> <p>There were included 113 HIV-positive and 141 age-matched HIV-negative patients, who underwent upper gastrointestinal endoscopy for dyspeptic symptoms. <it>H. pylori </it>status was evaluated by urease test and histology.</p> <p>Results</p> <p>The prevalence of <it>H. pylori </it>infection was significantly lower (p < 0.001) in HIV-infected (37.2%) than in uninfected (75.2%) patients. There were no significant differences between <it>H. pylori </it>status and gender, age, HIV viral load, antiretroviral therapy and the use of antibiotics. A lower prevalence of <it>H. pylori </it>was observed among patients with T CD4 cell count below 200/mm³; however, it was not significant. Chronic active antral gastritis was observed in 87.6% of the HIV-infected patients and in 780.4% of the control group (p = 0.11). <it>H. pylori </it>infection was significantly associated with chronic active gastritis in the antrum in both groups, but it was not associated with corpus chronic active gastritis in the HIV-infected patients.</p> <p>Conclusion</p> <p>We demonstrated that the prevalence of <it>H. pylori </it>was significantly lower in HIV-positive patients compared with HIV-negative ones. However, corpus gastritis was frequently observed in the HIV-positive patients, pointing to different mechanisms than <it>H. pylori </it>infection in the genesis of the lesion.</p

Rural woman activity at the labour market and in decision making

W artykule zawarto tematykę równości szans kobiet i mężczyzn. Omówiono kierunki zmian w sytuacji kobiet w społeczeństwie, w gospodarce i w rodzinie. Przedstawiono wyniki własnych badań empirycznych na specyficznym rynku pracy na obszarach wiejskich na temat ról pełnionych przez kobiety oraz ich aktywności obywatelskiej na poziomie lokalnym. Do celów opracowania wykorzystano część wyników badań ankietowych przeprowadzonych w 1000 gospodarstw domowych zlokalizowanych na obszarach wiejskich w woj. mazowieckim (Badania w latach 2011 -2012, w ramach grantu NCN nr N114115439 pt.” Warunki życia i praca kobiet na obszarach wiejskich Mazowsza). Wskazano na rolę kobiet w życiu społeczno-politycznym, oceniono ich udział i zaangażowanie w budowanie kapitału społecznego na wsi.The article contains the subject of equal opportunities for women and men. Discusses trends in the situation of women in society, in the economy and in the family. Presents the results of own empirical studies on the specific labour market in rural areas about the roles of women and their active citizenship at the local level. For the preparation of this article the part of the results of surveys conducted in 1000 rural households in the Mazovia Provence, were used. (Research in the years 2011 - 2012, under the grant NCN No. N114115439 "The conditions of life and women work in Mazovia rural areas). The role of women in social and political life, their participation and involvement in building social capital in rural areas, were described