Defect-Induced intrinsic magnetism in wide-gap III nitrides

Cation-vacancy induced intrinsic magnetism in GaN and BN is investigated by employing density-functional theory based electronic structure methods. The strong localization of defect states favors spontaneous spin polarization and local moment formation. A neutral cation vacancy in GaN or BN leads to the formation of a net moment of 3 muB with a spin-polarization energy of about 0.5 eV at the low density limit. The extended tails of defect wave functions, on the other hand, mediate surprisingly long-range magnetic interactions between the defect-induced moments. This duality of defect states suggests the existence of defect-induced or mediated collective magnetism in these otherwise nonmagnetic sp systems.     

tert-Butyl nitrite induced radical dimerization of primary thioamides and selenoamides at room temperature

A simple and efficient method for the dimerization of primary thioamides into 1,2,4-thiadiazoles using tert-butyl nitrite is described. The optimized condition was also found to be suitable for the dimerization of benzoselenoamides into 1,2,4-selenadiazoles. All the reactions proceed smoothly at room temperature and gave the desired products in excellent yields in a short span of time.     

A facile and highly diastereoselective synthesis of carbocyclic spiro-pyrazolones via DABCO catalyzed Michael-Michael domino reaction

An efficient domino Michael-Michael reaction of ω- and δ-nitro α,β-unsaturated esters with alkylidenepyrazolones has been accomplished using DABCO as the organocatalyst under mild reaction conditions. Under the present organocatalytic method, a wide range of carbocyclic spiro-pyrazolones with three tertiary stereogenic centers and a quaternary stereocenter has been prepared in high yields and excellent diastereoselectivities. An ester and nitro groups present in the spiro-pyrazolones have been utilized for further structural transformations.     

Synergistic extraction and spectrophotometric determination of palladium(II), iron(III), and tellurium(IV) at trace level by newly synthesized p-[4-(3,5-dimethylisoxazolyl)azophenylazo]calix(4)arene

A spectrophotometric method for the determination of palladium, iron and tellurium from nitric acid media after extraction of their p-[4-(3,5-dimethylisoxazolyl)azophenylazo]calix(4)arene [DMIAPAC] complexes has been developed and possible synergistic effects have been investigated. Chloroform, carbon tetrachloride, cyclohexane, 1,2-dichloroethane, toluene and xylene were used as the diluents. The maximum enhancement was obtained in the presence of 30% 1,2-dichloroethane. The trace amounts of metals were determined spectrophotometrically. Beer’s law obeyed in the concentration range of 5.0–95.0 μg, 8.0–120.0 μg and 10.0–140.0 μg/10 mL of the final solution of palladium, iron and tellurium, respectively. The molar absorptivities (l mol^?1cm^?1) and Sandell’s sensitivities (μg cm ^?1) were calculated: Pd(II) = 1.73 × 10⁴ and 0.0061; Fe(III) = 1.08 × 10⁴ and 0.0052; Te(IV) = 1.67 × 10⁴ and 0.0077. Ten replicate analyses containing 20 μg of Pd(II), 12.5 μg of Fe(III) and 32 μg of Te(IV) gave mean absorbance of 0.326, 0.242 and 0.418 with relative standard deviation of 0.36, 0.65 and 0.82% for Pd(II), Fe(III) and Te(IV), respectively. The interference of various ions was studied and optimum conditions were developed for the determination of these metals in certain alloys and synthetic mixtures.     

Determination of the active and inactive metabolites of prasugrel in human plasma by liquid chromatography/tandem mass spectrometry

Two fast and sensitive liquid chromatography/tandem mass spectrometry (LC/MS/MS)-based bioanalytical assays were developed and validated to quantify the active and three inactive metabolites of prasugrel. Prasugrel is a novel thienopyridine prodrug that is metabolized to the pharmacologically active metabolite in addition to three inactive metabolites, which directly relate to the formation and elimination of the active metabolite. After extraction and separation, the analytes were detected and quantified using a triple quadrupole mass spectrometer using positive electrospray ionization. The validated concentration range for the inactive metabolites assay was from 1 to 500 ng/mL for each of the three analytes. Additionally, a 5x dilution factor was validated. The interday accuracy ranged from -10.5% to 12.5% and the precision ranged from 2.4% to 6.6% for all three analytes. All results showed accuracy and precision within +/-20% at the lower limit of quantification and +/-15% at other levels. The validated concentration range for the active metabolite assay was from 0.5 to 250 ng/mL. Additionally, a 10x dilution factor was validated. The interbatch accuracy ranged from -7.00% to 5.98%, while the precision ranged from 0.98% to 3.39%. Derivatization of the active metabolite in blood with 2-bromo-3'-methoxyacetophenone immediately after collection was essential to ensure the stability of the metabolite during sample processing and storage. These methods have been applied to determine the concentrations of the active and inactive metabolites of prasugrel in human plasma.     

Estimation of the energy spectrum of cosmic ray electrons at the atmospheric depth (3.8–7.4)g.cm−2

Analytical calculations have been done to estimate the energy spectra of the secondary electrons originated from the decay of charged and neutral pions initiated on the upper atmosphere from the primary nucleon–air interactions in the energy range (4–100) GeV. The calculations are valid up to an atmospheric depth of about (3.8–7.4) g.cm^–2. The derived results are compared with the observed electron fluxes available from the balloon flight experiments of MASS2, HEAT, magnetic spectrometer system of Golden et al., instrument using scintillating fibers of Nishimura et al., and BETS.     

Empirical relation and establishment of shell effects in (<Emphasis Type="Italic">n</Emphasis>, 2<Emphasis Type="Italic">n</Emphasis>) reaction cross-sections at 14 MeV

The experimental data for (n, 2n) reaction cross-sections around 14 MeV neutron energy have been collected from the literature and analysed for the isotopes having 1 ≤ Z ≤ 82. The empirical relations for the reaction cross-sections have been obtained, which show fairly good fits with the experimental values. The shell effects have been established at magic nucleon numbers for (n, 2n) reaction cross-sections around 14 MeV neutron energy. The odd-even effects have also been observed as the cross-sections for odd-mass nuclei are higher than their neighbouring even-even nuclei.