Numerical evaluations in radiative transfer

We compare different methods of calculating the monochromatic mean intensity and flux divergence for different dependences of the source function on the optical depth. We consider a semi-infinite plane-parallel atmosphere and a plane-parallel symmetric slab. We show that in some cases the methods commonly used are quite inaccurate, and propose another which gives consistent values for both the flux divergence and the mean intensity, even in extreme cases of high and small optical depths.     

Synthesis of glycosyl derivatives as dopamine prodrugs: interaction with glucose carrier GLUT-1

Glucosyl dopamine (DA) derivatives may represent a new class of DA prodrugs that would interact with glucose transporter GLUT-1, present in the blood-brain barrier, and generate DA in the brain. Therefore, compounds bearing the sugar moiety linked to either the amino group or the catechol ring of DA through amide, ester, carbamate, peptide or glycosidic bonds were synthesized. The behavior of the compounds as prodrugs was monitored in different media and the affinity of the glycoconjugates for the glucose carrier GLUT-1 using human erythrocytes was also studied. Most of the compounds were markedly stable in buffer and plasma, and several compounds released DA when incubated with brain extracts and the rate was related to the bond linking DA with glucose. The new glucosyl conjugates substituted at the C-6 position of the sugar were more potent inhibitors of glucose transport when compared to C-1 and C-3 substituted derivatives. This work provides structure-activity information about the interaction of substituted glucose with the GLUT-1 transporter.     

Liquid chromatography time‐of‐flight mass spectrometry evaluation of fungicides reactivity in free chlorine containing water samples

Liquid chromatography (LC) combined with tandem mass spectrometry (MS/MS), based on the use of a hybrid quadrupole‐time‐of‐flight mass analyzer, was used to investigate the reactivity of nine fungicides in free chlorine‐containing water samples. Three of the selected compounds (fenhexamid, FEN; pyrimethanil, PYR; and cyprodinil, CYP) displayed a poor stability in presence of moderate chlorine levels; thus, the effects of different parameters on their half‐lives (t_1/2) were evaluated. Sample pH, bromide traces, and the water matrix affected their relative stabilities. Despite such variations, the three fungicides are degraded at significant rates not only in ultrapure, but also in surface water spiked with chlorine levels up to 2 µg ml^?1, and when mixed with chlorinated tap water, generating several transformation products (TPs). The time‐course of precursor species and their TPs was followed in the LC‐MS mode, using the information contained in accurate, full scan mass spectra (MS) to propose the empirical formulae of TPs. Thereafter, their ion product scan (MS/MS) spectra were considered to set their chemical structures; allowing, in some cases, to distinguish between isomeric TPs. The reaction pathway of FEN, the less stable fungicide, involved just an electrophilic substitution of hydrogen per chlorine, or bromine, and cleavage of the molecule to render an amide. PYR and CYP shared common reaction routes consisting of halogenation, hydroxylation, and condensation processes leading to complex mixtures of TPs, which were relatively stable to further transformations. Copyright © 2013 John Wiley & Sons, Ltd.     

The TRASGO Project. Present Status and Results

Physics of Atomic Nuclei - The TRASGO project develops high resolution tracking detectors, sensitive to single electrons and muons as well as to bundles of both kinds of particles. Two detectors...     

Estimating the parameters of a fatigue model using Benders’ decomposition

This paper shows how Benders decomposition can be used for estimating the parameters of a fatigue model. The objective function of such model depends on five parameters of different nature. This makes the parameter estimation problem of the fatigue model suitable for the Benders decomposition, which allows us to use well-behaved and robust parameter estimation methods for the different subproblems. To build the Benders cuts, explicit formulas for the sensitivities (partial derivatives) are obtained. This permits building the classical iterative method, in which upper and lower bounds of the optimal value of the objective function are obtained until convergence. Two alternative objective functions to be optimized are the likelihood and the sum of squares error functions, which relate to the maximum likelihood and the minimum error principles, respectively. The method is illustrated by its application to a real-world problem.