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We have studied the geometry and singlet-triplet energy difference of two mono-nuclear Ni2+ models related to the active site in [NiFe] hydrogenase. Multiconfigurational second-order perturbation theory based on a complete active-space wavefunction with an active space of 12 electrons in 12 orbitals, CASPT2(12,12), reproduces experimental bond lengths to within 1 pm. Calculated singlet-triplet ene
Background: Conventional radiography is insufficient for diagnosis in a small but not unimportant number of hip fractures, and secondary imaging with computed tomography (CT) or magnetic resonance imaging (MRI) is warranted. There are no convincing observer variation studies performed for conventional radiography or CT in occult fractures, and no large materials for MRI. Purpose: To assess observe
Dose conversion coefficients relating the kerma free-in-air to effective dose have been studied. In order to do so a sampling scheme encompassing all the risk organs and tissues was developed for the Alderson RANDO phantom. Preliminary results are shown for some specific organs irradiated with a point source in the laboratory.
This Letter presents a search for a hidden-beauty counterpart of the X(3872) in the mass ranges of 10.05-10.31 GeV and 10.40-11.00 GeV, in the channel X-b -> pi(+)pi(-)gamma(1S)(-> mu(+)mu(-)), using 16.2 fb(-1) of root s = 8 TeV pp collision data collected by the ATLAS detector at the LHC. No evidence for new narrow states is found, and upper limits are set on the product of the Xb cross section
A concept for time-sensitive optical detectors is described that shows how to confirm whether the detection device is operating in the linear response regime. By evaluating the recorded time decay of a thermographic phosphor, even weak saturation effects far from obvious situations can be identified and further related to either optical or electrical saturation. The concept has been validated by r
Assays detecting antigen (Ag)-specific T-cell responses in immune-mediated processes are increasingly employed to understand disease pathogenesis and "immune staging". The quantity and quality of starting peripheral blood mononuclear cell (PBMC) preparations are important factors in the performance of such assays. We therefore compared final PBMC yield and function by modifying parameters at the b
A means for noninvasive measurement of transverse and longitudinal characteristics of bunched beams in synchrotrons has been developed based on high sensitivity slotted waveguide pickups. The pickups allow for bandwidths exceeding hundreds of MHz while maintaining good beam sensitivity characteristics. Wide bandwidth is essential to allow bunch-by-bunch measurements by means of a fast gate. The Sc
The biothiols sensing mechanism of (E)-7-(diethylamino)-3-(2-nitrovinyl)-2H-chromen-2-one (DCO) has been investigated using the density functional theory (DFT) and time-dependent DFT methods. The theoretical results indicate that the excited-state intermolecular hydrogen bonding (H-B) plays an important role for the biothiols sensing mechanism of the fluorescence sensor DCO. Multiple H-B interacti
Stable isotope analysis provides a powerful tool for describing the energetic pathways in a variety of ecosystems. However, isotope ratios of animal tissues can be altered by preservation methods, potentially leading to biased estimates of energy pathways when they are not taken into account. Here, we investigated the direct preservation effects of formalin, ethanol, NaCl, and drying on the delta
OBJECTIVE: The aim of the study was to examine the double locked-in phenomenon at work (i.e., being in a non-preferred occupation and non-preferred work place), and its associations to psychological health, physical health and job satisfaction. METHODS: A total of 136 municipal employees who visited a career coaching center (response rate 59%) participated in the questionnaire study. RESULTS: The
Pickering emulsions are emulsions that are stabilized by fine particles. They have been the focus of considerable research in the past decade due to their properties such as high stability with respect to coalescence and Ostwald ripening, as well as due to advances in nanotechnology that allows us to create and characterize nano-scale structures in new ways. This work reviews some of the recent wo
Dividing complex systems into smaller components that are easier for humans to comprehend and manage, is a wide spread method in software design. As systems grow more complex, the task of solving the different dependencies and constrictions of the various components in a system, and create a stable and valid composition naturally also gains complexity. Various tools have been constructed to manage
Free movement of goods is regulated by Article 28 of The EC Treaty. The most important judgments of European Court of Justice (ECJ) in this field are Dassonville, Cassis de Dijon and Keck. The interpretation of Article 28 was very broad in Dassonville and Cassis cases therefore the national rules which were designed for social policy reasons, but not for controlling the trade between Member States
HR indicators are increasingly used as a method for analysis in the work with human rights. However, the concept of HR indicators is often subject to confusion due to the lack of a common and universal theoretical framework. This study focuses on the elaboration of HR indicators for state reporting within the UN treaty monitoring bodies and argues that an extended and more coherent use of HR indic
