Influence of experimental resolution on the quantum-to-classical transition in the quartic oscillator

The quantum-classical transition problem is investigated for the quartic oscillator coupled to a thermal reservoir. We show for this model that the combination of relevant diffusion, classical action (represented by the amplitude of an initial coherent state) and the experimental uncertainties is necessary to achieve the classical regime. In order to study the role of limited resolutions of measurement apparatuses on the correspondence between the quantum and classical dynamics, we consider experimental errors due the preparation of the initial state of the quartic oscillator and the inaccuracies in the time measurements. A quantum break time depending on the diffusion constant, the amplitude of the initial coherent state and the inaccuracy of measurements is defined. We found, for this model, a regime where the increasing of diffusion does not anticipate classicality. In such regime, there is a minimum value for the classical action associated to classical behavior of the system.     

Formation of oligomeric alkenylperoxides during the oxidation of unsaturated fatty acids: an electrospray ionization tandem mass spectrometry study

This study reports the identification of oligomeric alkenylperoxides by electrospray ionization mass spectrometry (ESI-MS) and tandem mass spectrometry (ESI-MS(2)), during the oxidation of oleic, linoleic and linolenic acids with Fenton's (Fe(2+)/H(2)O(2)) and Fe(2+)/O(2) systems. The reactions were followed by ferrous oxidation-xylenol orange method together with GC-MS and GC-FID, allowing to observe that both oxidation systems are different in terms of hydroperoxide evolution, probably due to the presence of different intermediate reactive species: perferryl ion and OH(·) radical responsible for the decomposition of lipid hydroperoxides and formation of new compounds. The analysis of ESI-MS in the negative mode, obtained after oxidation of each fatty acid, confirmed the presence of the monomeric oxidation products together with other compounds at high mass region above m/z 550. These new ions were attributed to oligomeric structures, identified by the fragmentation pathways observed in the tandem mass spectra.     

Segregation in arch formation

We report new segregation phenomena in the clogging arches formed during the discharge of granular piles. Results from molecular dynamics simulations show segregation effects with respect to both size and density ratios used in piles built with bidisperse mixtures of grains. The clogging arch is preferentially constituted of large grains when size bidisperse piles were discharged, whereas for density bidisperse mixtures there is a predominance of light grains in the arch for large orifice widths but, for small widths, an inversion in the preference is observed, with a slightly higher incidence of heavy grains forming the arches. We present arguments based on the reverse buoyancy effect and the statistics collected for the avalanche size distributions to explain how these effects can be understood as a crossover between two different segregation mechanisms acting independently at small and large orifice width limits.     

NO Fluorescence Sensing by Europium Tetracyclines Complexes in the Presence of H2O2

The effect on the fluorescence of the europium:tetracycline (Eu:Tc), europium:oxytetracycline (Eu:OxyTc) and europium:chlortetracycline (Eu:ClTc) complexes in approximately 2:1 ratio of nitric oxide (NO), peroxynitrite (ONOO^?), hydrogen peroxide (H₂O₂) and superoxide (O₂ ^·?) was assessed at three ROS/RNS concentrations levels, 30 °C and pH 6.00, 7.00 and 8.00. Except for the NO, an enhancement of fluorescence intensity was observed at pH 7.00 for all the europium tetracyclines complexes—the high enhancement was observed for H₂O₂. The quenching of the fluorescence of the Tc complexes, without and with the presence of other ROS/RNS species, provoked by NO constituted the bases for an analytical strategy for NO detection. The quantification capability was evaluated in a NO donor and in a standard solution. Good quantification results were obtained with the Eu:Tc (3:1) and Eu:OxyTc (4:1) complexes in the presence of H₂O₂ 200 μM with a detection limit of about 3 μM (Eu:OxyTc).     

Ab initio electronic band structure study of III–VI layered semiconductors

We present a total energy study of the electronic properties of the rhombohedral γ-InSe, hexagonal ε-GaSe, and monoclinic GaTe layered compounds. The calculations have been done using the full potential linear augmented plane wave method, including spin-orbit interaction. The calculated valence bands of the three compounds compare well with angle resolved photoemission measurements and a discussion of the small discrepancies found has been given. The present calculations are also compared with recent and previous band structure calculations available in the literature for the three compounds. Finally, in order to improve the calculated band gap value we have used the recently proposed modified Becke-Johnson correction for the exchange-correlation potential.     

15N natural abundance of non-fixing woody species in the Brazilian dry forest (caatinga)

Foliar δ¹⁵N values are useful to calculate N₂ fixation and N losses from ecosystems. However, a definite pattern among vegetation types is not recognised and few data are available for semi-arid areas. We sampled four sites in the Brazilian caatinga, along a water availability gradient. Sites with lower annual rainfall (700 mm) but more uniform distribution (six months) had δ¹⁵N values of 9.4 and 10.1 ‰, among the highest already reported, and significantly greater than those (6.5 and 6.3 ‰) of sites with higher rainfall (800 mm) but less uniform distribution (three months). There were no significant differences at each site among species or between non-fixing legume and non-legume species, in spite of the higher N content of the first group. Therefore, they constitute ideal reference plants in estimations of legume N₂ fixation. The higher values could result from higher losses of ¹⁵N depleted gases or lower losses of enriched ¹⁵N material.     

Algorithmic improvements on dynamic programming for the bi-objective {0,1} knapsack problem

This paper presents several methodological and algorithmic improvements over a state-of-the-art dynamic programming algorithm for solving the bi-objective {0,1} knapsack problem. The variants proposed make use of new definitions of lower and upper bounds, which allow a large number of states to be discarded. The computation of these bounds are based on the application of dichotomic search, definition of new bound sets, and bi-objective simplex algorithms to solve the relaxed problem. Although these new techniques are not of a common application for dynamic programming, we show that the best variants tested in this work can lead to an average improvement of 10 to 30 % in CPU-time and significant less memory usage than the original approach in a wide benchmark set of instances, even for the most difficult ones in the literature.