On the Hartree-Fock time-dependent problem

A previous result is generalized. An existence and uniqueness theorem is proved for the Hartree-Fock time-dependent problem in the case of a finite Fermi system interacting via a two body potential, which is supposed dominated by the kinetic energy part of the one-particle hamiltonian.     

Thermodynamic properties of the NdBr3–MBr binary systems (M = Na,K)

Thixoforming involves heating different types of alloys to the semisolid state at high heating rates and forming in die-casting machines or conventional presses. At temperatures higher than the solidus and lower than the liquidus, the mush metal behaves like a high-viscosity thixotropic material. Therefore, determining the thermodynamic behavior of the solid-to-liquid transition is paramount to control thixoforming processes. This article describes a simple, novel experimental setup based on differential thermal analysis (DTA) for analyzing the phase transitions in an alloy heated using high heating rates typical of industrial applications. A365 alloy was chosen to demonstrate the effectiveness of the method as the phase transformations for this alloy in semisolid materials (SSM) processing are well understood. Samples were heated to 750 °C using constant linear heating rates of 5, 10, 15, 20, 25, 50, 75, 100 and 125 °C min in a Norax 25 kW 8 kHz induction furnace with an Omron E5CK temperature controller. AISI 316 austenitic stainless steel was used as the inert reference. Comparison of the results of DTA using the proposed method and the results of simulation with Thermo-Calc^® indicates that the proposed in situ DTA device and its method is suitable for analyzing phase transitions when high heating rates are used.     

A novel hexairon cluster with one disulfide and two Ph2PCS3− ligands

The title compound, hexadecacarbonylbis{μ₃‐[(diphenylphosphanyl)methanediidyl]sulfanido}‐μ₄‐disulfido(2−)‐hexairon(4 Fe—Fe), [Fe₆(C₁₃H₁₀PS)₂(S₂)(CO)₁₆], contains two inversion‐related [Fe₃(Ph₂PCS)(CO)₈] subclusters linked by an equatorial disulfide bond [S—S = 2.1490 (9) Å]. Each Ph₂PCS³⁻ ligand is coordinated to a triiron core in a μ₃‐κP:κ²C:κ²S fashion.     

Temporal evolution of DMS and DMSP in Antarctic Coastal Sea water

The temporal evolution of concentrations of dimethylsulphide (DMS), its precursor dimethylsulphoniopropionate (DMSP) and chlorophyll a is surveyed weekly in the water column and in a landfast ice core at a coastal station of Gerlache Inlet (Terra Nova Bay, Antarctica) from 27 November 2000 to 14 February 2001. The DMS and DMSP profile concentrations in the water column are similar and show a clear temporal trend, with minimum values (<0.7?nM) at all depths occurring on 27 November 2000 and maximum values (4.8 × 10²?nM for DMS and 1.8 × 10²?nM for DMSP) in surface water on 27 December 2000 for DMS and on 19 December 2000 for DMSP. When the sea-ice cover is present, the temporal evolution of DMSP closely follows that of chlorophyll a in the water column, supporting the idea that DMSP, and therefore DMS, has a phytoplanktonic origin. However, when the ice cover breaks up during the late austral summer, a second phytoplankton bloom occurs, while the DMSP concentration in the sea-water column remains very low. In the ice core, the results show higher concentrations of DMSP than those of the underlying sea water, highlighting the important role of sea ice in the sulphur cycle of the Antarctic ecosystem.     

Ultra‐high pressure LC for astaxanthin determination in shrimp by‐products and active food packaging

Nowadays, there is increasing interest in natural antioxidants from food by‐products. Astaxanthin is a potent antioxidant and one of the major carotenoids in crustaceans and salmonids. An ultra‐high pressure liquid chromatographic method was developed and validated for the determination of astaxanthin in shrimp by‐products, and its migration from new packaging materials to food simulants was also studied. The method uses an UPLC® BEH guard‐column (2.1 × 5 mm, 1.7 µm particle size) and an UPLC® BEH analytical column (2.1 × 50 mm, 1.7 µm particle size). Chromatographic separation was achieved using a programmed gradient mobile phase consisting of (A) acetonitrile–methanol (containing 0.05 m ammonium acetate)–dichloromethane (75:20:5, v/v/v) and (B) ultrapure water. This method was evaluated with respect to validation parameters such as linearity, precision, limit of detection, limit of quantification and recovery. Low‐density polyethylene films were prepared with different amounts of the lipid fraction of fermented shrimp waste by extrusion, and migration was evaluated into food simulants (isooctane and ethanol 95%, v/v). Migration was not detected under the tested conditions. Copyright © 2012 John Wiley & Sons, Ltd.     

DNA Degradation of Genetically Modified Cottonseed Meal During Feed Processing

The effects of dry heating, wet heating, and extrusion on the degradation of DNA in cottonseed meal (CSM) were studied using polymerase chain reaction (PCR) and real-time PCR approach. Both the sad1 DNA, ranging between 128 and 883 bp in size, and the cry1Ab/c gene, ranging between 183 and 652 bp in size, were detectable in all dry-heated CSM and cottonseed. During wet heating, the sad1 gene (≥883 bp) and the cry1Ab/c (≥952 bp) gene were thoroughly degraded at 105 and 120 °C, respectively. Sizes from 128 to 530 bp for the sad1 gene and sizes from 183 to 652 bp for the cry1Ab/c gene were detected during extrusion at temperatures ranging from 75 to 135 °C. Fragments ≤883 bp for the sad1 gene and ≤952 bp for the cry1Ab/c gene were detected in all of the extruded samples with water content varying between 26 and 34 %. The copy number ratio of cry1Ab/c to sad1 in samples of Bt cottonseed meal decreased rapidly when the temperature increased during the heating process. In conclusion, feed processing markedly degrades the larger DNA fragments of sad1 and cry1Ab/c, with high temperature and water content being the main factors for that degradation.     

Electrochemical Behaviour and Square Wave Voltammetry of the Rice Herbicides Molinate,Bensulfuron-Methyl,Mefenacet and Thiobencarb

Abstract

Cyclic, differential pulse and square wave voltammetry were applied to develop an electroanalytical procedure for the determination of a group of herbicides used to treat rice crops: molinate, bensul-ruron-methyl, mefenacet and thiobencarb. The oxidation mechanism causes adsorption problems and consequent poisoning of the electrode surface by the products of the electrochemical reaction. Parameters such as pH, frequency and electrochemical electrode surface treatment were optimized. The analytical methodology developed using square wave voltammetry was applied to the determination of molinate and bensulfuron-methyl in simple or mixed commercial products.     

Kinetic study of template removal of Al-MCM-41 synthesized at room temperature

The Al-MCM-41 molecular sieve with Si/Al = 20 molar ratio was synthesized at room temperature and characterized by X-ray diffractometry, surface area, thermogravimetry, and infrared spectroscopy. The kinetic study was conducted by Vyazovkin and Ozawa method, in order to verify the activation energy during the Hofmann degradation between 130 and 370 °C, in which most of surfactant removal occurs. The results suggest that the activation energy for template removal is close to 80 kJ mol^?1 lower in Al-MCM-41 synthesized at room temperature, when compared to results obtained for mesopores Al-MCM-41 and MCM-41 synthesized by hydrothermal method. This lower activation energy may be understood as consequence of textural properties, such as higher pore size.