DFT-Study on Antioxydant of 3-Alkyl-4-P henylacetylam i no-1H-1,2,4-Triazol-5-O nes and Its Derivatives

In this article, we have performed B3LYP/6-31＋G（d） calculations of geometrical and reaction enthalpies of antioxidant mechanisms for ADPHT 1-4 （3-alkyl-4-phenylacetylamino-lH-1,2,4-triazol-5-ones） and its derivatives： HAT （hydrogen atom transfer）, SET-PT （single electron transfer-proton transfer） and SPLET （sequential proton-loss electron transfer） were investigated in gas and solution-phases. Solvent contribution to enthalpies was computed employing integral equation formalism IEF-PCM （integral equation formalism method） method. It turned out that the lowest BDEs （bond dissociation energies） is obtained for C-H bonds due to captodative effect in various media. Results indicate that HAT mechanism represents the most anticipated process in gas-phase from thermodynamic point of view. But, the SPLET represents the thermodynamically preferred reaction pathway in solvents （2-propanol, acetonitrile, DMF （N,N-dimethylformamide） and water）. The authors showed that bond dissociation energies, IP （ionization potential） and PA （proton affinity） are sufficient to evaluate the thermodynamically preferred mechanism.     

Cooperative localization techniques for wireless sensor networks: free,signal and angle based techniques

This paper addresses the problem of localization in sensor networks where, initially, a certain number of sensors are aware of their positions (either by using GPS or by being hand‐placed) and are referred to as anchors. Our goal is to localize all sensors with high accuracy, while using a limited number of anchors. Sensors can be equipped with different technologies for signal and angle measurements. These measures can be altered by some errors because of the network environment that induces position inaccuracies. In this paper, we propose a family (AT‐Family) of three new distributed localization techniques in wireless sensor networks: free‐measurement (AT‐Free) where sensors have no capability of measure, signal‐measurement (AT‐Dist) where sensors can calculate distances, and angle‐measurement (AT‐Angle) where sensors can calculate angles. These methods determine the position of each sensor while indicating the accuracy of its position. They have two important properties: first, a sensor node can deduce if its estimated position is close to its real position and contribute to the positioning of others nodes; second, a sensor can eliminate wrong information received about its position. This last property allows to manage measure errors that are the main drawback of measure‐based methods such as AT‐Dist and AT‐Angle techniques. By varying the density and the error rate, simulations show that the three proposed techniques achieve good performances in term of high accuracy of localized nodes and less energy consuming while assuming presence of measure errors and considering low number of anchors. Copyright © 2012 John Wiley & Sons, Ltd.     

In vitro screening of potential probiotic activities of selected lactobacilli isolated from unpasteurized milk products for incorporation into soft cheese

The aim was to select potentially probiotic lactobacilli from 88 strains isolated from unpasteurized milk and cheese products, and to incorporate these bacteria in a viable state into a soft cheese, without changing its quality. The survival of these bacteria was assessed in acidic and bile conditions, after freezing at -80 degrees C. Four strains from unpasteurized Camembert--two Lactobacillus plantarum strains and two Lb. paracasei/casei strains--were identified and typed by PCR and PFGE and were found to display potentially probiotic characteristics in addition to resistance to low pH and bile. These characteristics were resistance to lysozyme, adhesion to CACO-2 cells, antimicrobial effects against common foodborne pathogens (Listeria monocytogenes, Staphylococcus aureus, Salmonella spp., Escherichia coli, innocuity following the ingestion of high doses by mice and appropriate antibiotic susceptibility profiles. The potential of Lb. plantarum strain UCMA 3037 for incorporation into a soft cheese (Pont-l'Eveque registered designation of origin (RDO)) was investigated. This strain grew well and survived in sufficient numbers (more than 10(7) cfu/g throughout the shelf-life of the product) in the cheese. This strain did not change the quality score of the product until the best before date (75 days after manufacture). Thus, unpasteurized Camembert is a natural source of potentially probiotic lactobacilli, which could be used as an additive in the development of potentially probiotic soft cheeses. Further work is required to demonstrate the persistence and efficacy of these strains in the human host upon ingestion.     

Effect of genotype,maturity stage and post‐harvest storage on phenolic compounds,carotenoid content and antioxidant capacity,of Andean mashua tubers (Tropaeolum tuberosum Ruiz & Pavón)

The total phenolics, anthocyanins, flavan 3‐ols, carotenoids and antioxidant capacity of mashua (Tropaeolum tuberosum Ruiz & Pavón) tubers from 10 yellow and purple cultivars were determined at different maturity stages (5–7.5 months after planting) and sunning post‐harvest storage periods (7–35 days). Both the antioxidant capacity (ORAC and ABTS assays) and the content of the bioactive compounds tested varied markedly between cultivars. Purple varieties reached the highest antioxidant capacity during tuber development (271–446 µmol Trolox equiv g^?1 DM, ORAC assay). The kinetics of accumulation or disappearance of the bioactive compounds tested during maturation was dependent both on the cultivar and on the compound considered. For anthocyanins, there was a marked increase during maturation in all the purple cultivars. During the sunning post‐harvest storage, the changes in antioxidant capacity (ABTS assay) and content of the bioactive compounds tested also varied between cultivars. A marked decrease in anthocyanins was observed for the anthocyanin‐containing cultivars. In general, the correlation between antioxidant capacity and the content of bioactive compounds varied markedly between cultivars. Antioxidant capacity in purple varieties correlated with total phenolics or flavan 3‐ols while only in some yellow varieties antioxidant capacity correlated with total phenolics. Copyright © 2007 Society of Chemical Industry     

Gas sensors based on thick films of semi-conducting single walled carbon nanotubes

A comparative study was made of sorted semi-conducting single walled carbon nanotube (SWCNT) films and unsorted SWCNT films for gas sensing applications. The transmission line method is used to monitor separately the SWCNTs film resistance and the contact resistance between electrodes and the SWCNTs, thus revealing that the sensing mechanism mainly relies on a modification of the tube conductivity during gas exposure. The fabricated sensors demonstrate a detection limit of 20 ppb NO₂ and 600 ppb NH₃ mainly attributed to experimental setup limitations. Moreover, semi-conducting nanotubes happened to be 2.5 times more sensitive to NH₃ than unsorted ones, thus proving that selectivity can be improved by sorting the SWCNTs. The temperature dependence of the sensor sensitivity was studied, and a good agreement was found between experimental results and the Langmuir adsorption model.     

Thermal and mechanical properties of polypropylene/wood‐flour composites

In this research, polypropylene/wood‐flour composites (WPCs) were blended with different contents of wood and/or maleated polypropylene (MAPP) and clay. We found that the addition of MAPP or clay in the formulation greatly improved the dispersion of the wood fibers in the composite; this suggested that MAPP or clay may have played the role of an adhesion promoter in the WPCs. The results obtained with clay indicate that it also acted as a flame retardant. The thermal tests carried out with the produced samples showed an increased crystallization temperature (T_c), crystallinity, and melting temperature (T_m) with wood loading. The increase of the two former parameters was explained by the incorporation of wood flour, which played the role of nucleating agent and induced the crystallization of the matrix polymer. On the other hand, the T_m increase was ascribed to the insulating properties of wood, which hindered the movement of heat conduction. The effects of UV irradiation on T_m and T_c were also examined. T_c increased with UV exposure time; this implied that UV degradation generated short chains with low molecular weight that could move easily in the bulk of the sample and, thus, catalyze early crystallization. The flexural strength and modulus increased with increasing wood‐flour content. In contrast, the impact strength and tensile strength and strain decreased with increasing wood‐flour content. All of these changes were related to the level of dispersion of the wood flour in the polymeric matrix. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2011     

Multidimensional characterization,Landau levels and Density of States in epitaxial graphene grown on SiC substrates

Using high-temperature annealing conditions with a graphite cap covering the C-face of, both, on axis and 8° off-axis 4H-SiC samples, large and homogeneous single epitaxial graphene layers have been grown. Raman spectroscopy shows evidence of the almost free-standing character of these monolayer graphene sheets, which was confirmed by magneto-transport measurements. On the best samples, we find a moderate p-type doping, a high-carrier mobility and resolve the half-integer quantum Hall effect typical of high-quality graphene samples. A rough estimation of the density of states is given from temperature measurements.