Formation of nanosystems under near-equilibrium copper condensation in an ultrapure inert medium

Mechanisms of the self-organization of nanosystems at the condensation of the extremely weak steady flows of copper vapors obtained in magnetron sputtering in an ultrapure argon are studied. It is shown that the free-energy minimization near equilibrium condensation creates prerequisites for the self-organization of statistically homogeneous layers of nanoclusters and determines the transition to the formation of nanosystems in the form of fractal networks. Original Russian Text ? V.I. Perekrestov, A.S. Kornyushchenko, Yu.A. Kosminskaya, 2007, published in Pis’ma v Zhurnal éksperimental’noĭ i Teoreticheskoĭ Fiziki, 2007, Vol. 86, No. 12, pp. 879–883.     

Stark structure of the Yb3+ ion levels in (YbxY1?x)2Ti2O7 and the crystal field in rare-earth titanates with a pyrochlore structure

The absorption spectra of Yb₂Ti₂O₇ single crystals and the luminescence and luminescence excitation spectra of Y₂Ti₂O₇: Yb (1%) polycrystals were studied in the temperature range 4.2–300 K. The spectra were analyzed in terms of the crystal-field theory and the exchange-charge model. Based on the set of crystal-field parameters found for Yb₂Ti₂O₇, analogous sets of parameters were determined for other rare-earth titanates and proved to be in reasonable agreement with all available experimental data. __________ Translated from Fizika Tverdogo Tela, Vol. 47, No. 8, 2005, pp. 1376–1380. Original Russian Text Copyright ? 2005 by Klimin, Popova, Chukalina, Malkin, Zakirov, Antic-Fidancev, Goldner, Aschehoug, Dhalenne.     

Molecular modeling study on surface,thermal, mechanical and gas diffusion properties of chitosan

The motivation of this work is to provide reliable and accurate modeling studies of the physical (surface, thermal, mechanical and gas diffusion) properties of chitosan (CS) polymer. Our computational efforts have been devoted to make a comparison of the structural bulk properties of CS with similar type of polymers such as chitin and cellulose through cohesive energy density, solubility parameter, hydrogen bonding, and free volume distribution calculations. Atomistic modeling on CS polymer using molecular mechanics (MM) and molecular dynamics (MD) simulations has been carried out in three dimensionally periodic and effective two dimensionally periodic condensed phases. From the equilibrated structures, surface energies were computed. The equilibrium structure of the films shows an interior region of mass density close to the value in the bulk state. Various components of energetic interactions have been examined in detail to acquire a better insight into the interactions between bulk structure and the film surface. MD simulation (NPT ensemble) has also been used to obtain polymer specific volume as a function of temperature. It is demonstrated that these V–T curves can be used to locate the volumetric glass transition temperature (T_g) reliably. The mechanical properties of CS have been obtained using the strain deformation method. Diffusion coefficients of O₂, N₂, and CO₂ gas molecules at 300 K in CS have been estimated. The calculated properties of CS are comparable with the experimental values reported in the literature. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1260–1270, 2007     

Reaction of aroyl- and hetaroyltrifluoroacetones with acylhydrazines: Regioselectivity and tautomerism of the condensation products

Acylhydrazines react with 1,3-diketones of the general formula CF₃COCH₂COR (where R is an aryl or hetaryl group) at both carbonyl groups. The reaction at the trifluoroacetyl group is favored by donor substituents in the aromatic ring of the 1,3-diketone or by the 2-furyl and, especially, 2-thienyl group as a hetaryl substituent, as well as by elevated temperature. The condensation products at the carbonyl group contiguous to the aryl or hetaryl ring have the structure of 5-hydroxy-4,5-dihydropyrazoles and do not undergo tautomeric transformations in solution. The condensation products at the trifluoroacetyl group have either 5-hydroxy-4,5-dihydropyrazole or hydrazone structure and give rise to ring-chain tautomeric equilibrium in solution. Electron-withdrawing substituents in the aromatic ring of the 1,3-dicarbonyl fragment and CDCl₃ as solvent favor formation of the cyclic tautomer. The state of the tautomeric equilibrium is weakly sensitive to structural variations in the hydrazine component.     

4-arylamino-2-(2-acetoxyethyl)amino-6-methylpyrimidines: Synthesis,deacetylation, and biological activity

The reaction of 2-(2-acetoxyethyl)amino-4-chloro-6-methylpyrimidine with aromatic amines leads to a series of 4-arylamino-2-(2-acetoxyethyl)amino-6-methylpyrimidines. Deacetylation of these compounds proceeds in both acidic and basic media. Most of the arylaminopyrimides obtained exhibit a pronounced antituberculous effect.     

Complex morphology of melt-spun nylon-6 fibres investigated by 1H double-quantum-filtered NMR spin-diffusion experiments.

The complex morphology of high-speed melt-spun nylon-6 fibres hydrated with D2O was investigated using 1H double-quantum-filtered spin-diffusion NMR experiments. The magnetisation exchange from selected crystalline domains along the fibrils and interfibrils was simulated with the help of a three-dimensional solution of a spin-diffusion equation approximated by a product of one-dimensional analytical NMR signals, which correspond to a lamellar morphology. This allows to measure the sizes of crystalline and less-mobile amorphous domains along the fibrils, as well as the diameter of the fibrils and interfibril distances. A series of nylon-6 fibres with extreme values of winding speed and draw ratio was investigated. The changes detected in the domain size along the fibrils and interfibrils show the same trend in the data obtained from wide-angle X-ray diffraction and small-angle X-ray scattering.     

Determination of formic and acetic acids in air by piezoelectric microweighing

The quantitative and kinetic parameters of sorption of formic and acetic acids on thin films of various modifiers of piezoelectric quartz resonator electrodes are determined. Parameters of film formation on the electrodes (application procedure and thickness) are optimized. Methods for joint and separate determination of formic and acetic acids in air by piezoelectric microweighing with single- and double-sensor devices are developed.     

Acoustooptic cells with nonuniform length of light-sound interaction

Diffraction of light by acoustic waves that are generated in the acoustooptic cells of piezoelectric transducers with complex geometry is studied. The diffraction by acoustic beams with triangular, quadrangular (rhombic), hexagonal, etc., cross sections, when the lengths of light-sound interaction in the cross-sectional area of the light beam are different, is considered in the plane wave approximation. The difference in the length of interaction affects the instrument function of acoustooptic devices and provides the suppression of the side lobes in their transmission function. The advantages of using cells with complex-geometry transducers in tunable acoustooptic filters that are incorporated into fiber-optic communication lines with wavelength-division multiplexing (WDM) are discussed.