Anti-neuraminidase activity of chemical constituents of Balanophora involucrata

Balanophora involucrata J. D. Hooker has been known to possess potential anti-inflammatory and antibacterial activities; however, its antiviral activity has not been evaluated so far. In order to find new neuraminidase inhibitors (NAIs), the neuraminidase (NA) inhibition activity of different B. involucrata extracts was evaluated. In this study, an in vitro NA inhibition assay was performed to identify which extract of B. involucrata exhibits (maximal) inhibitory activity against NA. Ultra high performance liquid chromatography/quadrupole time-of-flight–tandem mass spectroscopy (MS/MS) and molecular docking techniques were used to identify the specific compounds responsible for the anti-influenza activity of the extract, and to explore the potential natural NAIs. The ethyl acetate extract of B. involucrata exhibited significant inhibitory activity against NA with 50% inhibitory concentration (IC₅₀) value of 159.5 μg/mL. Twenty compounds were identified according to the MS/MS spectra; among them two compounds (quercitrin and phloridzin) showed obvious inhibitory activity against NA, with IC₅₀ of 311.76 and 347.32 μmol/L, respectively. This study suggested that B. involucrata can be a potential natural source of NAIs and may be useful in the fight against ferocious influenza viruses.     

The role of the π-bonding network for trigonal level splittings of tris-bidentate Cr(acac)3 and Cr(ox) 3 3−

The varying -bonding contributions in the title compounds caused by the different electronic and molecular structure of the chelate rings are used for explaining the large band splittings in the absorption spectra by trigonal symmetry. It is shown that usual ligand field theory and the angular overlap model are not able to account for the trigonal level splitting of Cr(acac)₃ for which the coordination sphere of oxygen atoms is nearly octahedrally arranged. The experimental finding can, however, be rationalized by an extended angular overlap model which considers the phase coupling of -orbitals in the ligands leading to non-additive contributions to the metal-ligand bond energy.On leave of absence from the Bulgarian Academy of Sciences, Sofia, Bulgaria     

New synthetic and structural aspects in the chemistry of alkylaluminum fluorides. The mutual influence of hard and soft ligands and the hybridization as rigorous structural criterion

A general synthetic strategy starting from metal alkyls is reported based on the hydrogen difluoride anion as a suitable reagent for obtaining organometallic fluorides. The newly prepared compounds are [Me(4)N][(i-Bu)(2)AlF(2)] (1), [Ph(4)P][(i-Bu)(2)AlF(2)] (2), and [Ph(4)P][AlF(4)] (3), containing the tetrahedral anions [(i-Bu)(2)AlF(2)](-) and [AlF(4)](-). The actual structures are prototypes that allowed a comparison of inorganic and organometallic fluorides in the frame of the hard and soft acid and base principle, by means of ab initio calculations. A new theoretical model is designed to put in equation form the qualitative statements of the Bent rule. The model allows the rationalization of the tendencies of bond angle variation in [R(2)MX(2)] systems containing a main group metal (M), in terms of hybridization of the central atom and the reciprocal influence of hard and soft ligands.     

Differential-thermal and thermogravimetric analysis of some gagates from Bulgaria

The thermal behaviour of three gagates (Bulgaria) was investigated by DTA and TG. The characteristic endo- and exoeffects and the sequence of the thermal stabilities are established.

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Zusammenfassung Das thermochemische Verhalten von drei Gagaten (Bulgarien) wurde mittels DTA und TG untersucht. Die charakteristischen endo- und exothermen Effekte und die Reihenfolge der thermischen Stabilitäten wurden ermittelt.

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Coexistence of Two Different Distorted Octahedral [MnF6]3− Sites in K3[MnF6]: Manifestation in Spectroscopy and Magnetism

As a consequence of the static Jahn-Teller effect of the ⁵E ground state of Mn^III in cubic structures with octahedral parent geometries, their octahedral coordination spheres become distorted. In the case of six fluorido ligands, [MnF₆]³⁻ anions with two longer and four shorter Mn−F bonds making elongated octahedra are usually observed. Herein, we report the synthesis of the compound K₃[MnF₆] through a high-temperature approach and its crystallization by a high-pressure/high-temperature route. The main structural motifs are two quasi-isolated, octahedron-like [MnF₆]³⁻ anions of quite different nature compared to that met in ideal octahedral Mn^III Jahn-Teller systems. Owing to the internal electric field of C_i symmetry dominated by the next-neighbour K⁺ ions acting on the Mn^III sites, both sites, the pseudo-rhombic (site 1) and the pseudo-tetragonally elongated (site 2) [MnF₆]³⁻ anions are present in K₃[MnF₆]. The compound was characterized by single-crystal and powder X-ray diffraction, and magnetometry as well as by FTIR, Raman, and ligand field spectroscopy. A theoretical interpretation of the electronic structure and molecular geometry of the two Mn sites in the lattice is given by using a vibronic coupling model with parameters adjusted from multireference ab-initio cluster calculations.     

Fabrication of Nd:KGW film on a Si substrate with a CeO<Subscript>2</Subscript> buffer layer

Highly textured single-oriented (110)Nd-doped potassium gadolinium tungstate [Nd:KGd(WO₄)₂ or Nd:KGW] thin films were successfully fabricated on (100)Si substrate by introducing a (100)CeO₂ buffer layer using KrF-excimer-laser pulsed laser deposition (PLD) at precisely controlled experimental conditions. The CeO₂ buffer layer was also prepared by PLD. Home-made potassium-enriched ceramic targets were prepared and used in order to prevent K deficiency in the film during the deposition. Depositions were performed in both Ar and O₂ environments. The optimal growing conditions achieved from the viewpoint of best crystallinity, optical properties and surface morphology were: d_T–S=4 cm, P(O₂)=0.08 mbar and T_sub=700 °C, respectively. Improvement of the properties of the as-grown films was examined by post-deposition annealing between 700 °C and 900 °C in air. Optical waveguide loss and the photoluminescence spectrum in the 800–1400-nm range were measured. PACS 81.15.Fg; 42.79.Gn; 42.79.Hj     

ZnO thin film on side polished optical fiber for gas sensing applications

In this work, thin ZnO films have been produced by pulsed laser deposition on side-polished fiber for optical gas sensor applications. The influence was investigated of the processing parameters, such as substrate temperature and oxygen pressure applied during deposition, on the sensitivity to ammonia of the sensing element. A shift of the spectral position of the resonance minimum to the longer wavelengths was observed at room temperature for the sample prepared at 150 °C substrate temperature and 20 Pa oxygen pressure. Spectral changes in the range 0.16-1.13 nm for NH₃ concentrations between 500 and 5000 ppm were also observed.     

Collectionwise normality and selections into Hilbert spaces

A T₁-space X is countably paracompact and collectionwise normal if and only if every l.s.c. mapping from X into a Hilbert space with closed and convex point-images has a continuous selection. This settles a conjecture posed by M. Choban, V. Gutev and S. Nedev [M. Choban, S. Nedev, Continuous selections for mappings with generalized ordered domain, Math. Balkanica (N.S.) 11 (1-2) (1997) 87-95].     

A multi-range order parameter for binary alloy bulk materials and nanoparticles

A multi-range order parameter for binary alloys is considered, valid for bulk materials and nanoparticles. The difference between two common definitions is discussed, arising when applied to small systems. Its properties are illustrated on the example of the order/disorder transitions in Au–Pd fcc bulk materials and nanoparticles. The thermodynamic equilibrium states of these systems are predicted by Metropolis Monte Carlo sampling in the canonical (NPT) ensemble and an embedded-atom model potential. Short range order is found partially preserved by the transition while long range order vanishes. The order of intermediate ranges is found to be particularly sensitive to the presence of anti-phase boundaries (APBs) in both, bulk alloys and nanoparticles.