Study of formation mechanism of 1,3-benzodioxanes from tertiary phenoloalcohols and carbonyl compounds using labeled atoms

It was shown that the reaction of o-hyroxyphenyldiphenylmethanol with benzaldehyde labeled with ¹⁷O and ¹⁸O isotopes proceeds in such a way that oxygen atoms of the starting phenoloalcohol are retained.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 5, pp. 632–633, May, 1991.     

Luminescence investigations of the GaP-based dilute nitride Ga(NAsP) material system

Multi-quantum well heterostructures (MQWHs) of the novel Ga(NAsP)/GaP material system have been grown, pseudomorphically strained to GaP-substrate. The crystalline perfection is verified by transmission electron microscopy (TEM). For As-concentrations in excess of about 70%, a direct band structure and adequate luminescence efficiency for laser device application is observed. Temperature-dependent photoluminescence (PL) investigations show the influence of carrier localisation and non-radiative recombination processes typical for dilute nitride materials. With rising N content in the active material, the emission wavelength shifts towards longer wavelength, leading to Ga(NAs)/GaP MQW structures with photon energies below the indirect band gap of silicon (Si). At the same time the luminescence intensity drops due to an increase in non-radiative carrier traps and/or structural degradation.     

Indirect Methods For Determination of The Protective Effects of Coating Films on The Surface of Crystals

The extents of the protective effects of coating films on the surface of crystals were determined. Three different samples were made with different quantities of coating fluid (Sepifilm LP 010 in 10% aqueous solution). Since the atomizing rate was constant, the coating time increased in parallel with the volume of coating fluid applied. The direct measurement of film thickness and smoothness is very difficult, and therefore indirect methods were used. Dimenhydrinate was chosen as model drug; this is a heat-sensitive antihistamine with a low melting point. This temperature can be reached during the tableting process. The behaviour of samples on exposure to heat was examined by differential scanning calorimetry. The water uptakes of the samples were determined with an Enslin apparatus. Plasticity was studied with an instrumented tablet machine. These indirect methods (thermal conductivity, water uptake and plasticity measurements) revealed connections between the results of the various experiments. An overlong coating time decreased the protective effect of the coating film. This revised version was published online in August 2006 with corrections to the Cover Date.     

Behavior of Aluminum in Its Electric-Spark Dispersion in Aqueous Solutions of Some Acids

The influence exerted by the nature and concentration of a number of organic and mineral acids on the composition of products formed in electric-spark dispersion of aluminum was studied.     

Calculating Density of Molecular Liquids Using Agrawal-Thodos Equation

The correlation between the parameters of the Agrawal-Thodos equation, the fundamentalconstants of a substance are established. A modified equation is proposed, in which the minimum set of easily measurable properties of the substance is used as input data.     

Contact Interaction of Two Elastic Wedges

We consider the problem of contact of two elastic wedges and assume that only the vertices of the wedges touch before loading. After loading, the edges of both wedges come in contact near their common vertex. We reduce the constructed system of dual integral equations to a Fredholm integral equation of the second kind with difference kernel given on the semiaxis. We analytically solve the Fredholm equation by reducing it to the boundary-value Riemann problem for analytic functions. We obtain an analytic expression for contact stresses.     

Raman spectroscopy of topotecan, an inhibitor of DNA topoisomerase I

Topotecan (TPT), a water-soluble derivative of camptothecin (inhibitor of human DNA topoiomerase I), has found wide application in cancer chemotherapy. The central problem in using topotecan is the presence of lactone rings in its molecules, which undergo hydrolysis at a physiological pH yielding an inactive and even toxic form of the drug. The analysis of Raman spectra of TPT in H₂O and D₂O solutions made it possible to assign the spectral bands to the vibrations of particular molecular groups. Spectral features indicative of the opening of the lactone rings of the TPT molecules, deprotonation of the hydroxyl groups in their quinoline fragments, and of possible participation of the hydroxyl and carbonyl groups in H bonding are found. The data obtained are necessary to study the molecular mechanisms of TPT-DNA interaction and the formation of ternary complexes between TPT, DNA, and DNA topoisomerase I.     

Vibrational spectra and ab initio computations of sarcosinium oxalate monohydrate

Single crystals of sarcosinium oxalate monohydrate (SOM) are grown by the slow-evaporation technique at ambient temperature, and vibrational spectroscopic analysis is carried out using NIR-FT Raman, FT-IR, and SERS spectra. The normal mode frequencies and corresponding vibrational analysis of SOM are examined theoretically using the Gaussian’98 set of quantum chemical codes. The two bands present in the SOM ν C=O region, clearly observed in the Raman spectrum, are assigned to “free” and “bonded” carbonyl groups with the hydrogen atom. Vibrational analysis indicates the presence of C-H—O hydrogen bonding interaction producing a blueshift of the C-H stretching frequency.     

Semi‐analytical integration of the 8‐node plane element stiffness matrix using symbolic computation

The semi‐analytical integration of an 8‐node plane strain finite element stiffness matrix is presented in this work. The element is assumed to be super‐parametric, having straight sides. Before carrying out the integration, the integral expressions are classified into several groups, thus avoiding duplication of calculations. Symbolic manipulation and integration is used to obtain the basic formulae to evaluate the stiffness matrix. Then, the resulting expressions are postprocessed, optimized, and simplified in order to reduce the computation time. Maple symbolic‐manipulation software was used to generate the closed expressions and to develop the corresponding Fortran code. Comparisons between semi‐analytical integration and numerical integration were made. It was demonstrated that semi‐analytical integration required less CPU time than conventional numerical integration (using Gaussian‐Legendre quadrature) to obtain the stiffness matrix. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2006