Nucleophilic addition to acetylenes in superbasic catalytic systems: XV. Vinylation of 2-hydroxymethylfuran

2-Hydroxymethylfuran reacted with acetylene in superbasic catalytic systems MOH-DMSO (M = Na, K) under mild temperature conditions (75–85°C, 1–2 h), yielding 80% of 2-vinyloxymethylfuran. The product, as well as acetaldehyde acetals derived therefrom, turned out to be promising as modifiers for electrolyte in lithium-sulfur rechargeable batteries.     

Modification of multiwalled carbon nanotubes by carboxy groups and determination of the degree of functionalization

Multiwalled carbon nanotubes were modified by carboxy groups. Four independent methods for the determination of the degree of functionalization of the surface were proposed: ¹³C NMR spectroscopy, thermogravimetry, titrimetry, and fluorimetry. The first two methods show the total content of carboxy groups in the sample, and the latter two methods give information about the content of the surface groups only. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 291–295, February, 2008.     

A study of solid-state rhodium(III) sulfates

Solid-state rhodium(III) sulfates and their aqueous solutions were examined by IR and electronic absorption spectroscopy, thermogravimetry, X-ray powder diffraction analysis, and ¹⁰³Rh and ¹⁷O NMR spectroscopy. A study of the spontaneous aquation of freshly prepared solutions showed that this process results in an equilibrium between the subsystems of monomeric and oligomeric complexes. It was found that solid-state rhodium(III) sulfates vary in phase composition, basically consisting of dimeric and trimeric complexes.     

Solid-phase oxidative halodecarboxylation of β-arylacrylic acids with the ceric ammonium nitrate—alkali halide system

The solid-phase oxidation of cinnamic, 4-methoxy- and 3,4-dimethoxycinnamic acids with Ce(NH₄)₂(NO₃)₆—MHal system leads to β-halostyrenes. Similar procedure in the absence of a metal halide results in a cleavage of the C=C bond giving the corresponding benzaldehydes. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 114–118, January, 2008.     

A method and program for mass quantum chemical calculations of protein—ligand docking complexes

A new fast computational method for mass calculations of docking complexes by the AM1/PM3 semiempirical methods is proposed. The computation time is shortened by at least an order of magnitude compared to alternative schemes of quantum chemical calculations. The root-mean-square deviation of the AM1 calculated energies of formation of complexes from the results obtained by conventional diagonalization procedure is at most 0.4 kcal mol⁻¹. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 418–420, February, 2008.     

A study of the photocatalytic activity of titanium dioxide nanopowders

Photodestruction and adsorption of dyes in aqueous suspensions of nanopowders of titanium dioxide of anatase modification was studied. The photocatalytic activity of titanium dioxide nanopowders was examined in relation to the dispersity of particles and pH of the medium.     

Kinetics of thermal oxidation of titanium carbide and its carbon nano-composites in dry air atmosphere

Results of research work on oxidation of TiC/C nano-composites in air and under non-isothermal conditions are presented. The oxidation of nano-crystalline titanium carbide as well as its carbon composites were studied using TG-DSC method in dry air atmosphere. The investigated samples were as follows: commercial TiC nano-powders from Alfa Aesar (80 nm) and carbon composites including nano-crystalline TiC (30 nm and 50, 10, 3 mass% of carbon in matrix). The measurements were executed in the Setaram thermoanalyser TG-DSC 92-15 in non-isothermal conditions, with mass samples of 30±0.2 mg and constant heating rate in the range 2–10 K min⁻¹.