A thermodynamic description of the distribution of water in H2O-tributyl phosphate and H2O-tributyl phosphate-solvent systems

Various methods for describing the distribution of water in the H₂O-tributyl phosphate (TBP) system were considered. An equation for describing the deviations from the Henry law was proposed. A three-parameter equation for calculating the distribution of water in H₂O-TBP-solvent systems was derived. It is based on the additive solubility model and allows for the dependence of the activity coefficients on the TBP concentration. Based on the published data, the parameters of the equation for a number of systems were calculated.     

Highly accurate calculation of radial spheroidal functions

A new method for calculating the radial spheroidal functions of the first kind is proposed for the arguments that are greater than unity in modulus. A well-known representation of these functions is refined and used for this purpose. The constructs and the software implementation proposed in the paper provide an efficient tool for the calculation of the functions with a desired accuracy in a wide range of parameters.     

INFLUENCE OF A LEVELNESS DEFECT IN A THRUST BEARING ON THE DYNAMIC BEHAVIOUR OF AN ELASTIC SHAFT

This paper examines the non-linear dynamic behaviour of a flexible shaft. The shaft is mounted on two journal bearings and the axial load is supported by a defective hydrodynamic thrust bearing at one end. The defect is a levelness defect of the rotor. The thrust bearing behaviour must be considered to be non-linear because of the effects of the defect. The shaft is modelled with typical beam finite elements including effects such as the gyroscopic effects. A modal technique is used to reduce the number of degrees of freedom. Results show that the thrust bearing defects introduce supplementary critical speeds. The linear approach is unable to show the supplementary critical speeds which are obtained only by using non-linear analysis.     

Effect of hydrogen on the photoelectronic properties of GaAs/InGaAs quantum-well heterostructures with an island palladium layer on the surface

The effect of hydrogen on the photoluminescence and planar conductivity of GaAs/InGaAs quantum-well heterostructures with an island Pd layer at the anodically oxidized surface was studied. Unlike continuous deposited Pd layers, island layers do not cause the formation of defects in the GaAs surface region and yet the Pd layer maintains high catalytic activity with respect to hydrogen. It is found that the thermal treatment of such a structure in a hydrogen atmosphere causes atomic-hydrogen passivation of the defects in quantum wells. Studies of the characteristics of planar photoresistors with an island Pd layer acting as hydrogen sensors show that their hydrogen detectivity is approximately two orders of magnitude higher than that of diode structures with continuous Pd layers.     

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.     

High-throughput screening of fuel cell electrocatalysts

The drawbacks of our earlier report of preparing fuel cell catalyst arrays by borohydride reduction of inkjet prepared arrays of metal salts are discussed along with the need for inclusion of state-of-the-art metrics in all array screening. An alternative method for screening of hydrogen/air cathode catalysts, direct methanol fuel cell (DMFC) anode catalysts, and catalyst loading studies is provided. State-of-the-art Johnson Matthey catalysts were used in control experiments to demonstrate the utility of the array fuel cell for high throughput screening of fuel cell catalysts in the 3-4 mg/cm² range. This report lays out hard learned rules for high throughput screening and demonstrates that the array fuel cell can be used for very precise screening of libraries of membrane electrode assembly (MEA) components without the pitfalls discussed in the introduction.     

Estimates for the Second Order Derivatives of Eigenvectors in Thin Anisotropic Plates with Variable Thickness

For the second order derivatives of eigenvectors in a thin anisotropic heterogeneous plate Ω_h, we derive estimates of their weighted L₂-norms with majorants whose dependence on the plate thickness h and on the eigenvalue number is expressed explicitly. These estimates maintain the asymptotic sharpness throughout the entire spectrum, whereas inside its low-frequency band the majorants remain bounded as h → +0. The latter is a rather unexpected fact, because for the first eigenfunction u¹ of a similar boundary-value problem for a scalar second order differential operator with variable coefficients, the norm ‖∇ _x ² u⁰; L₂(Ω_h)‖ is of order h⁻¹ and grows as h tends to zero. Bibliography: 35 titles. __________ Translated from Zapiski Nauchnykh Seminarov POMI, Vol. 308, 2004, pp. 161–180.     

A method for calculating invariant subspaces of symmetric hyperbolic equations

An algorithm is constructed for calculating invariant subspaces of symmetric hyperbolic systems arising in electromagnetic, acoustic, and elasticity problems. Discrete approximations are calculated for subspaces that correspond to minimal eigenvalues and smooth eigenfunctions. Difficulties related to the presence of an infinite-dimensional kernel in the differential operator are successfully handled. The efficiency of the algorithm is demonstrated using acoustics equations.     

On c‐Bhaskar Rao designs with block size 4

Several new families of c‐Bhaskar Rao designs with block size 4 are constructed. The necessary conditions for the existence of a c‐BRD (υ,4,λ) are that: (1)λ_min=?λ/3 ≤ c ≤ λ and (2a) c≡λ (mod 2), if υ > 4 or (2b) c≡ λ (mod 4), if υ = 4 or (2c) c≠ λ ? 2, if υ = 5. It is proved that these conditions are necessary, and are sufficient for most pairs of c and λ; in particular, they are sufficient whenever λ?c ≠ 2 for c > 0 and whenever c ? λ_min≠ 2 for c < 0. For c < 0, the necessary conditions are sufficient for υ> 101; for the classic Bhaskar Rao designs, i.e., c = 0, we show the necessary conditions are sufficient with the possible exception of 0‐BRD (υ,4,2)'s for υ≡ 4 (mod 6). © 2002 Wiley Periodicals, Inc. J Combin Designs 10: 361–386, 2002; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/jcd.10009     

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.