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BaFe12−xGaxO19 hexaferrites were synthesized via the usual ceramic technology; with an increase in x, the unit cell and magnetic parameters monotonically decrease.

Due to the emerging role of protein kinase CK2 as a molecule that participates not only in the development of some cancers but also in viral infections and inflammatory failures, small organic inhibitors of CK2, besides application in scientific research, may have therapeutic significance. In this paper, we present a new class of CK2 inhibitors-3-carboxy-4(1H)-quinolones. This class of inhibitors has been selected via receptor-based virtual screening of the Otava compound library. It was revealed that the most active compounds, 5,6,8-trichloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (7) (IC(50) = 0.3 microM) and 4-oxo-1,4-dihydrobenzo[h]quinoline-3-carboxylic acid (9) (IC(50) = 1 microM), are ATP competitive (K(i) values are 0.06 and 0.28 microM, respectively). Evaluation of the inhibitors on seven protein kinases shows considerable selectivity toward CK2. According to theoretical calculations and experimental data, a structural model describing the key features of 3-carboxy-4(1H)-quinolones responsible for tight binding to CK2 active site has been developed.

The article reports about electric field-induced alignment of the carbon nanoparticles embedded in epoxy matrix. Optical microscopy was performed to consider the effect of the electric field magnitude and configuration, filler morphology, and aspect ratio on alignment process. Characteristic time of aligned network formation was compared with modeling predictions. Carbon nanotube and graphite nanoplatelet rotation time was estimated using an analytical model based on effective medium approach. Different depolarization factor was applied according to the geometries of the particle and electric field.Solid nanocomposites were fabricated by using AC electric field. We have investigated concentration dependence of electrical conductivity of graphite nanoplatelets/epoxy composites using two-probe technique. It was established that the electrical properties of composites with random and aligned filler distribution are differ by conductivity value at certain filler content and distinguish by a form of concentration dependence of conductivity for fillers with different morphology. These differences were explained in terms of the dynamic percolation and formation of various conductive networks: chained in case of graphite nanoplatelets and crossed framework in case of carbon nanotubes filler.

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The Kirchhoff charge model is a viable method of generating inexpensive and electrostatically reasonable atomic charges for molecular mechanical force fields. The charging method uses a computationally fast algorithm based on the principle of electronegativity relaxation. Parameters of the method, orbital electronegativities and hardnesses, are fitted to reproduce reference, ab initio calculated dipole and quadrupole moments of a representative training set of neutral and charged organic molecules covering most medicinal chemistry relevant bonding situations. Transferability and accuracy of the derived parameters are confirmed on an external test set. Comparisons to other charge models are made. Implementation of the new Kirchhoff charges into a virtual screening engine is elucidated.