Theoretical kinetic study of the reaction between dimethyl disulfide and OH radicals

The potential energy profile of the reaction between dimethyl disulfide and OH^? radicals is explored by utilizing ab initio and hybrid meta density functional theory methods. Having the energies and structural data of the stationary points, statistical rate theories, such as transition state theory and variable reaction coordinate-transition state theory, are employed to compute the overall rate constants, and discuss the mechanism and product channels. On the basis of the calculations, the overall rate coefficient is predicted to be 2.49?×?10^?10?cm³?molecule^?1?s^?1 at 298?K. It is found that in the most favorable pathway, the reaction proceeds via formation of the relatively unstable intermediate CH₃S^?(OH)SCH₃ decomposing rapidly to yield CH₃S^?+CH₃SOH.     

Separation of hematite from banded hematite jasper (BHJ) by magnetic coating

The separation of iron oxide from banded hematite jasper(BHJ) assaying 47.8% Fe, 25.6% Si O2 and 2.30%Al2O3 using selective magnetic coating was studied. Characterization studies of the low grade ore indicate that besides hematite and goethite,jasper, a microcrystalline form of quartzite, is the major impurity associated with this ore. Beneficiation by conventional magnetic separation technique could yield a magnetic concentrate containing 60.8% Fe with 51% Fe recovery. In order to enhance the recovery of the iron oxide minerals, fine magnetite, colloidal magnetite and oleate colloidal magnetite were used as the coating material. When subjected to magnetic separation, the coated ore produces an iron concentrate containing 60.2% Fe with an enhanced recovery of56%. The AFM studies indicate that the coagulation of hematite particles with the oleate colloidal magnetite facilitates the higher recovery of iron particles from the low grade BHJ iron ore under appropriate conditions.     

Production technology for low-carbon,low-sulfur boron steel

A technology for slag formation in the ladle–furnace unit is considered; the slag is based on the CaO–SiO₂–MgO–Al₂O₃–B₂O₃ system. This technology permits both microalloying of the steel with boron (reduced from the oxide phase) and desulfurization of the steel. The resulting boron content in the steel is 0.001–0.008%; the sulfur content in low-alloy steel and pipe steel is low (0.004–0.010%); and the consumption of manganese ferroalloys is reduced to 0.5 kg/t for 08кп steel and 1.4 kg/t for 09Г2C steel. In addition, the proposed technology increases the strength of the rolled steel, without loss in its plasticity; and reduces the environmental impact thanks to the replacement of fluorspar by colemanite.     

A Potent Mimetic of the Siglec-8 Ligand 6’-Sulfo-Sialyl Lewisx

Siglecs are members of the immunoglobulin gene family containing sialic acid binding N-terminal domains. Among them, Siglec-8 is expressed on various cell types of the immune system such as eosinophils, mast cells and weakly on basophils. Cross-linking of Siglec-8 with monoclonal antibodies triggers apoptosis in eosinophils and inhibits degranulation of mast cells, making Siglec-8 a promising target for the treatment of eosinophil- and mast cell-associated diseases such as asthma. The tetrasaccharide 6’-sulfo-sialyl Lewis^x has been identified as a specific Siglec-8 ligand in glycan array screening. Here, we describe an extended study enlightening the pharmacophores of 6’-sulfo-sialyl Lewis^x and the successful development of a high-affinity mimetic. Retaining the neuraminic acid core, the introduction of a carbocyclic mimetic of the Gal moiety and a sulfonamide substituent in the 9-position gave a 20-fold improved binding affinity. Finally, the residence time, which usually is the Achilles tendon of carbohydrate/lectin interactions, could be improved.     

Investigation on external stimuli engendered magnetic ordering in polycrystalline CaCu3Ti4O12 quadruple perovskite

The consequences of high energy mechanical milling, microwave-assisted heating and rapid thermal cooling on magnetic ordering in polycrystalline CaCu₃Ti₄O₁₂ cubic perovskite have been investigated by means of X-ray powder diffractometry (300?K), dc magnetization in field – cooled and zero – field cooled modes (H = 100?Oe and 1000?Oe, T?=?5–300?K) (M – T curves) and M – H loop characteristics (T?=?5?K and 300?K, H_max = 70?kOe). The M – T curves of unmilled and 16?h milled samples show pure antiferromagnetic and weak ferromagnetic ordering, respectively, 1?h and 6?h milled samples demonstrate the coexistence of both the phases while microwave-assisted and quenched samples exhibit classic antiferromagnetic transition and a low temperature paramagnetic–like contribution with different weights, well supported by the M – H loop characteristics. The observed transformations in the magnetic ordering are attributed to the ball-milling induced stress which curtails hybridization of empty Ti-3d orbitals with Cu-3d and O-2p orbitals and secondary phase formation. Oxygen vacancies associated with bound magnetic polarons originate ferromagnetism in the milled samples while unpaired electrons inhabited at the empty sites are the cause of paramagnetic centers. The low-temperature Curie – tail in M – T curve for quenched and microwave assisted samples is attributed to Ti³⁺ cations.