Localizable entanglement in antiferromagnetic and mixed Heisenberg chains: a quantum Monte Carlo study

We investigate entanglement formation in antiferromagnetic and mixed anisotropic, finite, one-dimensional Heisenberg chains with and without the presence of a uniform magnetic field. We explore the thermal entanglement created in terms of the bounds of the localizable entanglement and the possibility for quantum phase transitions in the zero field cases by means of standard quantum Monte Carlo method.     

Contextual correlates of adolescents' self-efficacy after smoking cessation.

Recent research has shown that daily changes in self-efficacy predict lapses and relapse into smoking after quitting among adolescent daily smokers, but it is not known if and how momentary self-efficacy is associated with affect-motivational states and external contexts. In the present study, 134 adolescent daily smokers were monitored daily during 1 week prior to and 3 weeks after they began their quit attempt. Participants completed questions on smoking, self-efficacy, affect-motivational states (craving and negative affect), and external contexts (seeing others smoke, experiencing a stressful event, and alcohol and coffee consumption) three times a day. Affect-motivational states as well as all external contexts (except for coffee consumption) were associated with lower self-efficacy when participants were still abstinent, but also after they had lapsed. Associations between the situational contexts and self-efficacy did not largely depend on individual characteristics such as baseline self-efficacy and age. Among girls, however, the negative associations between self-efficacy and negative affect and drinking alcohol were found to be stronger. These results show that adolescents' self-efficacy during a quit attempt may be responsive to affect-motivational states and external contexts, both before and after lapsing. (PsycINFO Database Record (c) 2011 APA, all rights reserved)     

Impact of oxygen transport properties on the kinetic modeling of polypropylene thermal oxidation. II. Effect of oxygen diffusivity

The kinetic model, established in a previous article (François‐Heude et al., J. Appl. Polym. Sci., in press) to predict the homogeneous oxidation in iPP films typically thinner than 100 µm, is now extended to simulate the oxidation profiles in thicker plates by coupling the oxygen diffusion and its consumption by the chemical reactions. In this perspective, oxygen transport properties (namely oxygen solubility, diffusivity, and permeability) are measured by permeametry on a reference iPP. These values are compared with an exhaustive compilation of literature data to evaluate their variability among the whole iPP family, which one has been reasonably ascribed to initial differences in polymer morphology, but also to evaluate their consistency, especially their temperature dependence between 20 and 140°C. Failing to simulate oxidation profiles, the kinetic model is then used as an inverse resolution method for estimating more satisfactory values of oxygen transport properties. It is thus evidenced that the crystallinity changes induced by thermal oxidation largely explains the dramatic decrease in oxygen penetration toward the sample core just after the induction period. A strategy aimed for introducing the relationship between the polymer crystalline morphology and oxygen transport properties into the kinetic model is given in the graphical abstract, although the effect of polymer polarity remains to be established prior to this implementation. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41562.     

Optimal design program for gravity sanitary sewers

The development and implementation of a Fortran computer program called OGSDP to design a least-cost gravity sanitary sewer system are presented. OGSDP is a model that finds the least-cost design for a non-looping, gravity sanitary sewerage system for a given set of design parameters, costs and lay-out. The final design is the least-cost combination of pipe sizes, upstream and downstream invert elevations (of each pipe) and the corresponding manhole sizes. OGSDP respects most Ten States Standards' (1978) design guidelines. OGSDP determines an initial sewer system design using a heuristic procedure, and then improves the design using discrete dynamic programming with successive approximations to obtain the final least-cost design. It is a practical and efficient tool in the design of sanitary sewer systems.     

Novel Redox-Dependent Esterase Activity (EC 3.1.1.2) for DJ-1: Implications for Parkinson’s Disease

Mutations the in human DJ-1 (hDJ-1) gene are associated with early-onset autosomal recessive forms of Parkinson’s disease (PD). hDJ-1/parkinsonism associated deglycase (PARK7) is a cytoprotective multi-functional protein that contains a conserved cysteine-protease domain. Given that cysteine-proteases can act on both amide and ester substrates, we surmised that hDJ-1 possessed cysteine-mediated esterase activity. To test this hypothesis, hDJ-1 was overexpressed, purified and tested for activity towards 4-nitrophenyl acetate (pNPA) as µmol of pNPA hydrolyzed/min/mg·protein (U/mg protein). hDJ-1 showed maximum reaction velocity esterase activity (V_max = 235.10 ± 12.00 U/mg protein), with a sigmoidal fit (S_0.5 = 0.55 ± 0.040 mM) and apparent positive cooperativity (Hill coefficient of 2.05 ± 0.28). A PD-associated mutant of DJ-1 (M26I) lacked activity. Unlike its protease activity which is inactivated by reactive oxygen species (ROS), esterase activity of hDJ-1 is enhanced upon exposure to low concentrations of hydrogen peroxide (<10 µM) and plateaus at elevated concentrations (>100 µM) suggesting that its activity is resistant to oxidative stress. Esterase activity of DJ-1 requires oxidation of catalytic cysteines, as chemically protecting cysteines blocked its activity whereas an oxido-mimetic mutant of DJ-1 (C106D) exhibited robust esterase activity. Molecular docking studies suggest that C106 and L126 within its catalytic site interact with esterase substrates. Overall, our data show that hDJ-1 contains intrinsic redox-sensitive esterase activity that is abolished in a PD-associated mutant form of the hDJ-1 protein.     

Defect structure evolution and electrical properties of BaTiO3-based ferroelectric ceramics

Relaxor perovskite ferroelectric 0.1Bi(Zn_1/2Zr_1/2)O₃-0.9BaTiO₃(0.1BZZ-0.9BT) ceramics were successfully prepared, whose powders synthesized by the sol-gel process, with average grain size about 1.29 μm. 1.75 J/cm³ discharge energy density and good dielectric stability were obtained over a wide temperature range from 25°C to 140°C. The pulse discharge capability of 0.1BZZ-0.9BT ceramics was tested under different electric fields. The discharge time was 2.13 μs, which proved its ability to charge and discharge quickly. Complex impedance analysis and thermally stimulated depolarization current tests were applied to investigate the defect types and activation of 0.1BZZ-0.9BT ceramics. The evolution process of composite defects and oxygen vacancies profoundly affects the dielectric temperature stability of 0.1BZZ-0.9BT ceramics’ energy storage property.     

Dietary effects on growth,plasma lipid and tissues of rats fed with non‐conventional oil of Telfairia occidentalis

The nutritional value of Telfairia occidentalis seed and seed oil available in local market was studied in rats. The average values of the proximate analysis on dry matter basis were 203 g kg^?1 crude protein, 536.3 g kg^?1 fat, 39 g kg^?1 ash, 95 g kg^?1 crude fibre and 43.7 g kg^?1 carbohydrate, while the moisture content was 75 g kg^?1. The mineral analyses showed that T occidentalis seeds contain potassium (3280 mg kg^?1), sodium (1230 mg kg^?1), magnesium (60.8 mg kg^?1), calcium (60.8 mg kg^?1) and iron (13.0 mg kg^?1). The oil extracted from the seed sample showed physicochemical properties that suggest its suitability for edible and industrial uses. The oil contained high levels of unsaturated fatty acids, oleic and linoleic, which accounted for 63.22% of total fatty acids recovered, while palmitic acid (27.4% of the oil by weight) was the most prevalent saturated fatty acid in the oil. No trace of eleostearic acid was detected in the oil. The effect on physical appearance, weight gain, organ weight, tissue and plasma cholesterol and triacylglycerol levels was determined in rats fed a diet containing 5% T occidentalis oil. These were compared with those of rats fed a control diet (0% T occidentalis oil) over an 8 week study period. Weekly monitoring of the rats showed good physical appearance and steady weight increase. The test rats were not anaemic and no mortality was recorded. While there was a significantly higher (p < 0.05) level of cholesterol in the heart of test rats compared with the control, there was a significantly lower (p < 0.05) plasma cholesterol level, suggesting that T occidentalis seed oil can be used to lower plasma levels of cholesterol. Histological examination of the sections of the heart, liver, kidney and spleen of the test rats revealed varying degrees of pathology. These include artherosclerotic changes in the walls of vasa vasori and lymphatics in the heart and hyaline degeneration of myofibrils, fatty infiltration of hepatocytes, and glomerular and tubular degeneration in the kidneys. These lesions may have been due to the effect of fatty acids, especially erucic acid, in the seed oil, which at 1.24% (less that the 5% conventional allowable limit for edible oils) may be intolerable for rats and may be unsuitable for human consumption. The seed oil may be used for industrial purposes such as soap making, lubrication and cosmetics for which it is well suited. Copyright © 2004 Society of Chemical Industry     

Polysilazane derived micro/nano Si3N4/SiC composites

The pyrolised polysilazanes poly(hydridomethyl)silazane NCP 200 and poly(urea)silazane CERASET derived Si–C–N amorphous powders were used for preparation of micro/nano Si₃N₄/SiC composites by hot pressing. Y₂O₃–Al₂O₃ and Y₂O₃–Yb₂O₃ were used, as sintering aids. The resulting ceramic composites of all compositions were dense and polycrystalline with fine microstructure of average grain size <1 μm of both Si₃N₄ and SiC phases. The fine SiC nano-inclusions were identified within the Si₃N₄ micrograins. Phase composition of both composites consist of , β modifications of Si₃N₄ and SiC. High weight loss was observed during the hot pressing cycle, 12 and 19 wt.% for NCP 200 and CERASET precursors, respectively. The fracture toughness of both nanocomposites (NCP 2000 and CERASET derived) was not different. Indentation method measured values are from 5 to 6 MPa m^1/2, with respect to the sintering additive system. Fracture toughness is slightly sensitive to the SiC content of the nanocomposite. Hardness increases with the content of SiC in the nanocomposite. The highest hardness was achieved for pyrolysed CERASET precursor with 2 wt.% Y₂O₃ and 6 wt.% Yb₂O₃, HV 23 GPa. This is a consequence of the highest SiC content as well as the chemical composition of additives.     

Extraction of oleic acid from soybean oil and jojoba oil-phase diagrams

Formamide,N-methylformamide,N-dimethylformamide, dimethylsulfoxide, 1,2-butanediol, and 2-butane-1,4-diol were considered as potential extractants of fatty acids from soybean and jojoba oils. Ternary liquid-liquid phase diagrams at 298.15 K, distribution, and selectivity coefficients of oleic acid are reported. Of the investigated solvents, onlyN-methylformamide and 1,2-butanediol have desirable extraction characteristics.