Isoscalar factors for tetragonal,orthorhombic, monoclinic and triclinic shubnikov point groups

The relations between isoscalar factors for corepresentations of antiunitary magnetic point groups are discussed in the case of associated corepresentations. The tables of the isoscalar factors for the single- and double-valued corepresentations of all tetragonal, orthorhombic, monoclinic, and triclinic Shubnikov point groups are given. Some peculiarities of the calculation method of the isoscalar factors for corepresentations are considered.     

Morphology of Polyethylene Foamed Crosslinked Specimens made by Hot Mold Injection Molding

Abstract

Foamed and crosslinked specimens of polyethylene made by hot mold injection molding were investigated. A combination of PELD, dicumilperoxide and azodicarbonamide was used. The three components were mixed and granulated in an extruder-granulator at temperature 100—120°C. The degree of crosslinking was calculated by equilibrium strain ?_r determined at temperature 140°C and pressure stress σ_p=0.045 MPa. The same parameter was evaluated by thermomechanical curves. The degree of crystal-linity was determined by DSC-kinetics of a nonisothermal melting and crystallization. The morphology was investigated by a polarized microscope MIN 8.

It is established that a part of polymer crystallizes as spherulites. The spherulites can observed with crossed polarizers. The samples on the whole are not oriented. There exists only a local orientation around the edge of the bubbles which is proved by the observed bright regions. The number of the spherulites decreases with the increase of crosslinking degree. This also conforms with the degree of crystallinity which decreases with the increase of the crosslinking degree.     

Pseudo-steady-state solutions for solidification in a wedge

Polubarinova-Kochina's analytical differential equation methodis used to determine the pseudo-steady-state solution to problemsinvolving the freezing (solidification) of wedges of liquidwhich are initially at their fusion temperature. In particular,we consider four distinct problems for wedges which are: freezingwith the same constant boundary temperature, freezing with thesame constant boundary heat fluxes, freezing with distinct constantboundary temperatures and freezing with distinct constant fluxesat the boundaries. For the last two problems, a Heun's differentialequation with an unknown singularity is derived, which in bothcases admits a particularly elegant simple solution for thespecial case when the wedge angle is . The moving boundariesobtained are shown pictorially.     

Tables of spectroscopic coefficients for magnetic point group symmetry

For the first time symmetrized Clebsch-Gordan coefficients for corepresentations, the so called 2D- and 3D-symbols (analogous to the Wigner 2j- and 3j-symbols correspondingly) are calculated, and tabulated for all single- and double-valued corepresentations of all 90 antiunitary magnetic point groups.     

Conductive Composites Based on Metallocene Isotactic Poly(propylene): Preparation and Properties

Summary: The research deals with the preparation and the further comprehensive characterization of metallocene polypropylene-based composite materials by incorporation of carbon black nanoparticles. Composites containing up to 10 wt% of carbon black were prepared by direct melt mixing in a single screw extruder Brabender Extrusiograph type 30/25D with attached static mixer at melt temperature of 200 °C and a screw speed of 30 rpm, according to a two-step process. Some composites were treated with 3 wt% maleic anhydride grafted polypropylene (MAH-PP). The rheological behaviour of the miPP nanocomposites was determined by cone/plate rheological measurements at 180 °C. The composites were characterized by SEM for morphological details and uniaxial stress-strain measurements for determining the mechanical parameters. Electric conductivity of injection molded plates from these composites was investigated. The different miPPs studied are ranked in an ascending order according to their increasing molecular weight concerning the magnitude of their rheological parameters. The maleic anhydride compatibilizer leads to lower viscosity values even at high shear gradients and to better homogenization of the nanofiller in the polymer matrix. The processing conditions, carbon black concentration and viscosity of the virgin polymer have an impact on the final conductivity of the miPP/carbon black composites.     

Design,synthesis, antitubercular and antibacterial activities of pyrrolo[3,2-b]pyridine-3-carboxamide linked 2-methoxypyridine derivatives and in silico docking studies

Abstract

A novel series pyrrolo[3,2-b]pyridine-3-carboxamide linked 2-methoxypyridine derivatives have been designed, synthesized and confirmed by FT-IR, ¹H NMR, ¹³C NMR, ¹⁹F NMR, MS, and elemental analysis. The synthesized compounds were screened for their antitubercular activity using microplate alamar blue assay method and antibacterial activity. Among the tested compounds, 4- fluorophenyl (8m), 4- chlorophenyl (8n) and 4-methoxyphenyl (8i) showed potent anti-TB activity (3.12?µg/mL) in comparison with reference drug, Pyrazinamide ((3.12?µg/mL). In addition, all compounds were docked into DprE1 (PDB code: 4KW5) to explore their binding interactions at the active site. The compounds exhibited essential key interactions as that of reported DprE1 inhibitors and hence, the synthesized compounds may be considered as molecular scaffolds for antitubercular activity. Compounds, 4-chlorophenyl (8n) and 4-flurophenyl (8m) showed significant antibacterial activity against Escherichia coli and Staphylococcus aureus strains. In silico prediction of toxicities, druglikeness and drug score profiles of the tested compounds are promising.