Fermi surface and thermoelectric power of (Bi1−x Sbx)2Te3<Ag, Sn> mixed crystals

The Fermi surface anisotropy of (Bi_1?x Sb_x)₂Te₃ single crystals (0.25 ≤ x ≤ 1) was studied by analyzing the angular dependence of the frequency of Shubnikov-de Haas oscillations and the effect of tin and silver doping on the thermoelectric power in these crystals in the temperature range 77 ≤ T ≤ 300 K. It was shown that silver doping of (Bi_1?x Sb_x)₂Te₃ mixed crystals produces acceptors, while silver in Bi₂Te₃ acts as a donor. Tin also exhibits acceptor properties. Both tin and silver doping of p-(Bi_1?x Sb_x)₂Te₃ mixed crystals decrease the thermoelectric power due to an increase in the hole concentration.     

Spin-dependent shot noise of inelastic transport through molecular quantum dots

Here we present a theoretical analysis of the effect of inelastic electron scattering on spin-dependent transport characteristics (conductance, current–voltage dependence, magnetoresistance, shot noise spectrum, Fano factor) for magnetic nanojunction. Such device is composed of molecular quantum dot (with discrete energy levels) connected to ferromagnetic electrodes (treated within the wide-band approximation), where molecular vibrations are modeled as dispersionless phonons. Non-perturbative computational scheme, used in this work, is based on the Green's function theory within the framework of mapping technique (GFT–MT), which transforms the many-body electron–phonon interaction problem into a single-electron multi-channel scattering problem. The consequence of the localized electron–phonon coupling is polaron formation. It is shown that polaron shift and additional peaks in the transmission function completely change the shape of considered transport characteristics.     

Coulomb blockade in molecular quantum dots

The rate-equation approach is used to describe sequential tunneling through a molecular junction in the Coulomb blockade regime. Such device is composed of molecular quantum dot (with discrete energy levels) coupled with two metallic electrodes via potential barriers. Based on this model, we calculate nonlinear transport characteristics (conductance-voltage and current-voltage dependences) and compare them with the results obtained within a self-consistent field approach. It is shown that the shape of transport characteristics is determined by the combined effect of the electronic structure of molecular quantum dots and by the Coulomb blockade. In particular, the following phenomena are discussed in detail: the suppression of the current at higher voltages, the charging-induced rectification effect, the charging-generated changes of conductance gap and the temperature-induced as well as broadening-generated smoothing of current steps.     

10-GHz Optical Comb in L-Band Region With Brillouin/Erbium-Doped Fibre Laser

A multiwavelength Brillouin/erbium fibre laser (BEFL) which operates in the long wavelength (L-band) region is demonstrated for potential applications in an L-band wavelength division multiplexing (WDM) communication system. The laser configuration consists of a long erbium-doped fibre to enable L-band amplification where two 3-dB couplers take a portion of the generated BEFL signal and re-inject it into the single mode fibre to seed a cascaded BEFL line in the same direction as the first BEFL line. A stable and strong laser comb of up to five lines with 10-GHz spacing has been obtained with a Brillouin pump (BP) of 9.2 mW and a 980 nm pump of 92 mW. The BEFL has shown a broad tuning range with a tuning characteristic for line #1 which is flat over a range greater than 9.9 nm.     

Synthesis and anticonvulsant activity of new fluorinated N-phenyl- and N-benzyl-2-azaspiro[4.4]nonane- and [4.5]decane-1,3-dione derivatives: Part III

A series of N-phenyl- and N-benzyl-2-azaspiro[4.4]nonane- and [4.5]decane-1,3-diones containing a fluoro or trifluoromethyl substituents at the aryl ring was synthesized and tested for their anticonvulsant activity in the maximal electroshock (MES) and subcutaneous metrazole (sc.Met) tests. Among them, the most active were N-benzyl derivatives with fluoro and trifluoromethyl substituents especially at position-2 of the aryl moiety. The introduction of the phenyl ring at the imide nitrogen atom resulted in less active compounds. The results obtained showed that incorporation of fluoro or trifluoromethyl substituents increased the anticonvulsant activity in comparison to respective chloro, methoxy or methyl analogues. Crystallographically obtained conformation for one active and two inactive derivatives with trifluoromethyl substituents at position-2 or -3 of phenyl ring were initially used for molecular electrostatic potentials (MEP) calculation. The MEP distribution at carbonyl oxygen atoms was different for active and inactive molecules.     

Selective Spectrophotometric Determination of Copper in Milk with Phenanthraquinone Monothiosemicarbazone

The red complex formed by copper (II) and phenanthraquinone monothiosemicarbazone has an absorption maximum at 530 nm with a molar absorptivity of 14000 cm^?1 mole^?1. The pH range for the determination is 1.1–6.6. Optimum range of concentration for accurate determination is 0.50–3.47 ppm of copper (II) in 50% methanol medium. The limits of interference due to foreign ions have been studied. The method has been successfully employed for the determination of copper in various samples of milk.     

Accurate determination of pyridine-poly(amidoamine) dendrimer absolute binding constants with the OPLS-AA force field and direct integration of radial distribution functions

OPLS-AA force field and direct integration of intermolecular radial distribution functions (RDF) were employed to calculate absolute binding constants of pyridine molecules to amino group (NH2) and amide group hydrogen atoms in and first generation poly(amidoamine) dendrimers in chloroform. The average errors in the absolute and relative association constants, as predicted with the calculations, are 14.1% and 10.8%, respectively, which translate into ca. 0.08 and 0.06 kcal/mol errors in the absolute and relative binding free energies. We believe that this level of accuracy proves the applicability of the OPLS-AA, force field, in combination with the direct RDF integration, to reproducing and predicting absolute intermolecular association constants of low magnitudes (ca. 0.2-2.0 range).     

Oxidation-Reduction Conversions of Derivatives of 1,4-Dihydropyridine and 4H-pyran on Interaction of Alicyclic 1,5-Diketones wth 4-Aminoazobenzene

The interaction of 2,2'-methylenedicyclohexanone and 2,2'-methylenedicyclopentanone with 4-aminoazobenzene in acetic acid leads to reduction of the azo group of 1,4-dihydropyridine and 4H-pyran derivatives formed as intermediates. The reduction products were isolated as the corresponding pyridinium salts.     

Oxidative Coupling in a Series of Derivatives of 4a,9-Diaza-1,2,4a,9a-tetrahydrofluorene. 6. Reactions with Substituted 2-Aminoethanols

Oxidative coupling of derivatives of 4a,9-diaza-1,2,4a,9a-tetrahydro-9H-fluorene with 2-ethyl-, 2,2-dimethyl-, and 2-hydroxymethyl-2-methylaminoethanol in the presence of MnO₂ led to the selective formation of the corresponding mono- and di(hydroxymethyl)quinonediimines, subsequent cyclization of which gave the products of 6,7-annelation. Coupling with 2,2-di(hydroxymethyl)aminoethanol gave the annelation products directly.