Some conic bundless

A representation of the anticanonical K3 surface of a singular pencil of conics is described. This generalizes the well-known Shokurov theorem.Translated fromMatematicheskie Zametki, Vol. 63, No. 6, pp. 903–910, June, 1998.The author is greatly indebted to V. A. Iskovskikh, Yu. G. Prokhorov, and I. A. Chel'tsov for fruitful discussions.This research was supported by the Russian Foundation for Basic Research under grant No. 96-01-00820 and by INTAS under grant No. 93-2805.00-00-00.     

Structural features of ZrO2-Y2O3 and ZrO2-Gd2O3 nanoparticles formed under hydrothermal conditions

We synthesized nanoparticles of variable composition based on zirconium dioxide in the ZrO₂-Y₂O₃ (or Gd₂O₃)-H₂O systems under hydrothermal conditions. By X-ray diffraction and small-angle X-ray scattering studies revealed that the nanoparticles consist of crystalline core and amorphous shell. Increase of Y₂O₃ (or Gd₂O₃) content yields increases of shell size and decreases of core size. The effect is due to suppressed ZrO₂ crystallites growth caused by development of the shell preventing zirconium ions transport.     

Analytic first and second derivatives of the energy in the fragment molecular orbital method combined with molecular mechanics

Analytic first and second derivatives of the energy are developed for the fragment molecular orbital method interfaced with molecular mechanics in the electrostatic embedding scheme at the level of Hartree-Fock and density functional theory. The importance of the orbital response terms is demonstrated. The role of electrostatic embedding upon molecular vibrations is analyzed, comparing force field and quantum mechanical treatments for an ionic liquid and a solvated protein. The method is applied for 100 protein conformations sampled in molecular dynamics (MD) to take into account the complexity of a flexible protein structure in solution, and a good agreement with experimental data is obtained: Frequencies from an experimental infrared (IR) spectrum are reproduced within 17 cm⁻¹ .     

Interaction of components in the HgBr2-CdBr2-PbBr2 ternary system

The interaction in the HgBr₂-CdBr₂-PbBr₂ ternary system was studied by differential thermal analysis; the isoconcentration section of the system at 50 mol % CdBr₂ was investigated. Based on the results of the study, a projection of the liquidus surface of the HgBr₂-CdBr₂-PbBr₂ ternary system to the composition triangle was constructed; the boundaries of the primary crystallization fields were determined for three phases: HgBr₂ (degenerate field), solid solution α based on CdBr₂, and solid solution β based on PbBr₂; and isotherms were drawn. A ternary eutectic has the composition 93 mol % HgBr₂-1 mol % CdBr₂-6 mol % PbBr₂ and melts at 235°C.     

Determination of phase fields in the CsBr-Cs2ZnBr4-Cs2CdBr4-Cs2HgBr4 quaternary system

Phase equilibria in the CsBr-Cs₂ZnBr₄-Cs₂CdBr₄-Cs₂HgBr₄ quaternary system were studied by differential thermal analysis. The CsBr-Cs₂ZnBr₄-Cs₂HgBr₄ ternary system has a ternary eutectic, E ₁, at ～83 mol % Cs₂HgBr₄, 2 mol % Cs₂ZnBr₄, and 15 mol % CsBr with a melting point of ～415°C. The CsBr-Cs₂ZnBr₄-Cs₂CdBr₄ ternary system has a ternary eutectic, E ₂, at ～53.5 mol % Cs₂CdBr₄, 1.5 mol % Cs₂ZnBr₄, and 45 mol % CsBr with a melting point of ～450°C. The polythermal section Cs₃ZnBr₅-Cs₂CdBr₄-Cs₂HgBr₄ in the CsBr-Cs₂ZnBr₄-Cs₂CdBr₄-Cs₂HgBr₄ quaternary system was constructed and investigated. This section is a quasi-ternary system and is characterized by the formation of regions of solid solutions Cs₂Zn _x Cd _y Hg_{1?x ? y} Br₄ and solid solutions based on Cs₃ZnBr₅. The liquidus surface of the quaternary system consists of three fields of primary crystallization of cesium bromide, a solid solution Cs₂Zn _x Cd _y Hg_{1?x ? y} Br₄, and a solid solution based on Cs₃ZnBr₅.     

Interaction between lead bromide and barium bromide

The phase diagram of the PbBr₂-BaBr₂ system over the entire concentration range is studied for the first time by differential thermal analysis and X-ray powder diffraction analysis. No new compounds are formed in the system. The phase diagram is represented by a continuous series of solid solutions (type I by Rooseboom’s classification). The unit cell parameters change as a linear function of composition.     

2,3-Dihydronaphtho[1,2-b]thiophene 1-oxides in the synthesis of 2,3-dihydronaphtho- and naphtho[1,2-b]thiophenes

2,3-Dihydronaphtho[1,2-b]thiophene 1-oxides, obtained by thermolysis of alkyl 1-naphthyl sulfoxides, are reduced by lithium aluminum hydride to 2,3-dihydronaphtho [1,2-b]thiophenes, whereas under the influence of acetic and trifluoroacetic anhydrides they form naphtho[1,2-b]thiophenes.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 12, pp. 1629–1633, December, 1989.     

Possibility of a 2D SiC monolayer formation on Mg(0001) and MgO(111) substrates

The geometrical characteristics of a 2D SiC monolayer on Mg(0001) and MgO(111) plates regarded as potential materials for growing two-dimensional silicon carbide were studied. The most favorable positions of the atoms of 2D SiC on the substrates were determined. In the 2D SiC/Mg(0001) system, unlike in 2D SiC/MgO(111), the deviation of the carbon atom from the silicon carbide monolayer was insignificant (0.08 Å). Consequently, magnesium can be used as a substrate for growing two-dimensional silicon carbide. The use of MgO(111) is not recommended because of a significant distortion of the 2D SiC surface.     

Gold-catalyzed cyclization in the synthesis of antimitotic 2,3-dihydrobenzo[b]oxepine derivatives of colchicine

Russian Chemical Bulletin - New allocolchicine derivatives bearing 2,3-dihydrobenzo[b]oxepine moiety were synthesized via gold-catalyzed cyclization as a key synthetic step. The obtained...