bluuebunny/crossref_metadata_2025_split huggingface dataset:
The effect of the components of the PdCl2/Fe/I2/Py catalytic system on nitrobenzene carbonylation to ethyl N-phenylcarbamate
Authors: Skupińska Jadwiga , Karpińska Monika , Ołówek Maria , Kasprzycka-Guttman Teresa 
Published: August 2006

AbstractThe PdCl2/Fe/I2/Py catalytic system (Py-pyridine), reported to be highly active in the reaction of nitrobenzene carbonylation to ethyl phenylcarbamate was studied. The present paper describes the role of catalyst components and its effect on the activity and selectivity of the catalyst. The increase in the amount of PdCl2 in the system while retaining a constant level of the other catalyst components, results in the increase of both carbamate and aniline yields. The increase in the amount of iron while retaining the other components constant, initially causes an increase in the carbamate yield; however, at Fe: Pd ratios higher than 36, the carbamate yield remains constant. The change in the amount of iron has no effect on the amount of aniline formed in the system. An increase in the amount of iodine in the system while retaining the other components constant, results in a decrease in carbamate yield and a considerable increase in the aniline yield of the reaction products.
Oxidation of α-methylstyrene on an MCM-22 encapsulated (R, R)-(−)-N, N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II) catalyst
Authors: Bogár Krisztián 
Published: August 2006

Abstract(R, R)-(−)-N, N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II) was encapsulated into MCM-22 using the zeolite synthesis method. The encapsulated catalyst proved to be active in the oxidation of α-methylstyrene with NaOCl with higher specific activity than the homogeneous catalyst. At the same time, this encapsulated catalyst was completely inactive in the hydrolytic kinetic resolution of racemic styrene oxide. This observation is in a good correlation with the assumption of the cooperative bimetallic mechanism proposed by Annis and Jacobsen.
Inclusion compounds of cystostatic active (C5H5)2VCl2 and (CH3C5H4)2VCl2 with α-, β- and γ-cyclodextrines: Synthesis, EPR study and microbiological behavior toward Escherichia coli
Authors: Vinklárek Jaromír , Honzíček Jan , Holubová Jana 
Published: August 2006

AbstractThe inclusion of vanadocene dichloride (VDC) and 1,1′-dimethyl vanadocene dichloride (MeVDC) into cyclodextrines (α-CD, β-CD and γ-CD) was studied by EPR spectroscopy. It was found that VDC and MeVDC with β-CD and γ-CD form true inclusion compounds, but with α-CD, VDC and MeVDC gave only fine dispersion mixtures. The inclusion was validated by anisotropic EPR spectra of solid samples. In addition, the antimicrobial was validated by anisotropic EPR spectra of solid samples. In addition, the antimicrobial behavior (against E. coli) of each of the complexes was determined. It was established that not only did VDC and MeVDC cause elongation of E. coli, but also the new vanadocene inclusion complexes were effective in this regard.
β-Galactosidase from Penicillium canescens. Properties and immobilization
Authors: Budriene Saulute , Gorochovceva Natalija , Romaskevic Tatjana , Yugova Lyubov , Miezeliene Aldona , Dienys Gervydas , Zubriene Asta 
Published: August 2006

Abstractβ-galactosidase from Penicillium canescens was immobilized on chitosan, sepharose-4B, foamable polyurethane and some other carriers. The highest yield of immobilization (up to 98%) was obtained by using chitosan as a carrier. The optimum pH and temperature were not significantly altered by immobilization. High stability of immobilized β-galactosidase during storage was demonstrated. Efficient lactose saccharification (over 90%) in whey was achieved by using immobilized β-galactosidase.
Hot particles analysis originating from failed and damaged fuels
Authors: Kerkápoly Anikó , Vajda Nóra , Pintér Tamás , Csordás Pintér 
Published: August 2006

AbstractThe increase of activities of fission products and transmutation products in the primary coolant of a nuclear power plant indicates the presence of fuel rod failures. The measurement of the activity concentration of the primary coolant was able to detect fuel failures in the reactor core. Microanalytical methods for examining individual hot particles have been developed and applied to fuel failure detection under normal operation conditions as well as during the severe fuel damage that occurred in the cleaning tank incident at Unit 2 of NPP Paks in April 2003. Several faulty fuel rods can be detected simultaneously by the characterization of individual hot particles originating from the primary water. The analysis of particles originating from the damaged fuels provides information relating to the dissolution process of the fuel debris.
Studies on stereoselective approaches to β-carboline derivatives
Authors: Milen Mátyás , Hazai László , Kolonits Pál , Kalaus György , Szabó Lajos , Gömöry Ágnes , Szántay Csaba 
Published: August 2006

AbstractTransformation of β-carboline derivatives into optically active entities were studied and the de and ee values of the resulted compounds were detected.
Determination of inorganic oxyhalides in drinking water by on-line coupled capillary isotachophoresis— capillary zone electrophoresis
Authors: Kvasnička František , Janda Václav , Rousová Daniela , Manda Jiří , Kollerová Lubica 
Published: August 2006

AbstractSome oxyhalides can be found in drinking waters as inorganic disinfection byproducts. An on-line coupled capillary isotachophoresis—capillary zone electrophoresis (CITP-CZE) method was developed for the analysis of chlorate, chlorite and bromate in water. The optimized CITP-CZE electrolyte system consisted of the following: 10 mM—HCl+20 mM—β-Alanine (leading electrolyte), 5 mM—succinic acid (terminating electrolyte), and 10 mM—succinic acid +5 mM—β-Alanine +0.1% HPMC (carrier electrolyte). A clear separation of oxyhalides from other components of drinking water was achieved within 25 min. Method characteristics, i.e., linearity (0–200 ng/mL), accuracy (88–110%), intra-assay (3–5%), quantification limit (5–15 ng/mL), and detection limit (2–5 ng/mL), were determined. Minimum labor requirements, sufficient sensitivity and low running cost are important attributes of this method. It was found that the developed method is useful for the routine analysis of oxyhalides in water.
X-Ray and EPR study on copper (II) complexes with an enamine ligand
Authors: Ahmedova Anife , Vaz Maria , Ciattini Samuele , Gochev Georgi , Caneschi Andrea , Mitewa Mariana 
Published: August 2006

AbstractThe enamine (HEAID) obtained from aniline and 2-acetyl-1,3-indandione (2AID) behaves as a bidentate ligand in coordination with copper (II) ion. Two types of crystals, apparently different in shape, were isolated and studied by single-crystal X-ray diffraction. The X-ray data for the brown rhombic crystals of compound 1 shows a mononuclear complex of Cu(II) coordinated with two EAID-anions, Cu(EAID)2. The X-ray data for the green crystals of compound 2 shows a dinuclear Cu(II) complex with two OH− groups acting as bridging ligands, [Cu2(μ-OH)2(EAID)2]. In both cases the ligand coordinates after deprotonation of the amine group.
On the role of surface energy in the flattening of a crystal face
Authors: Nanev Christo 
Published: August 2006

AbstractThe question addressed in this paper is the flattening of the valley separating two growth hillocks emanating from screw dislocations during crystal growth. It is argued that both thermodynamic and kinetic effects contribute to this result, at least on a quasi-atomic scale. If performed under low enough supersaturation the growth leads to the formation of the face morphology corresponding to the minimum of the surface free energy. Accelerated step annihilation in the valley floor is a universal factor, which favors face flatting under any supersaturation.
Prediction of the unit cell edge length of cubic A22+BB′O6 perovskites by multiple linear regression and artificial neural networks
Authors: Dimitrovska Sandra , Aleksovska Slobotka , Kuzmanovski Igor 
Published: August 2006

AbstractThe unit cell edge length, a, of a set of complex cubic perovskites having the general formula A22+BB′O6 is predicted using two methodologies: multiple linear regression and artificial neural neworks. The unit cell edge length is expressed as a function of six independent variables: the effective ionic radii of the constituents (A, B and B′), the electronegativities of B and B′, and the oxidation state of B. In this analysis, 147 perovskites of the A22+BB′O6 type, having the cubic structure and belonging to the Fm3m space group, are included. They are divided in two sets; 98 compounds are used in the calibration set and 49 are used in the test set. Both models give consistent results and could be successfully use to predict the lattice cell parameter of new members of this series.
Statistical and neural net methods for automatic glaucoma diagnosis determination
Authors: Pluháček František , Pospíšil Jaroslav 
Published: August 2006

Abstract
Two new computer diagnostic methods for the automatic determination of glaucoma diagnosis are presented and compared in this paper: the statistical method and the neural net method. Both introduced methods evaluate colour glaucomatous changes within the optic disc area. The mentioned colour changes are numerically represented using a suitable image analysis process. Next, the investigated eye is classified to three defined glaucoma-risk classes with different reliability of the diagnosis determination. The verification and the reliability comparison of both studied methods are performed by virtue of the application of this methods to a set of normal healthy optic disc images and a set of glaucomatous optic disc images.
Interactions of charged dust particles in clouds of charges
Authors: Gundienkov Vladimir , Yakovlenko Sergey 
Published: August 2006

Abstract
Two charged dust particles inside a cloud of charges are considered as Debye atoms forming a Debye molecule. Cassini coordinates are used for the numerical solution of the Poisson-Boltzmann equation for the charged cloud. The electric force acting on a dust particle by the other dust particle was determined by integrating the electrostatic pressure on the surface of the dust particle. It is shown that attractive forces appear when the following two conditions are satisfied. First, the average distance between dust particles should be approximately equal to two Debye radii. Second, attraction takes place when similar charges are concentrated predominantly on the dust particles. If the particles carry a small fraction of total charge of the same polarity, repulsion between the particles takes place at all distances. We apply our results to the experiments with thermoemission plasma and to the experiments with nuclear-pumped plasma.
Mass-transport driven by surface instabilities in metals under reactive plasma/ion beam treatment at moderate temperature
Authors: Pranevičius Liudvikas , Milčius Darius , Pranevičius Liudas , Širvinskaitë Vaiva , Nomgaudyte Jurgita , Rivier Jean-Paul , Templier Claude 
Published: August 2006

Abstract
This paper presents a generalized approach to the mechanisms of oxidation, hydrogenation and nitriding of metals under ion irradiation with reactive particles at elevated temperatures. Experimental results on the plasma oxidation of bilayered Y/Zr films, the plasma hydrogenation of Mg films and the ion beam (1.2 keV N2+) nitriding of stainless steel are presented and discussed. We make special emphasis on the analysis of surface effects and their role in the initiation of mixing of bilayered films, the ingress of reactive species in the bulk and the restructuring of the surface layers. It is suggested that primary processes driving reactive atoms from the surface into the bulk are surface instabilities induced by thermal and ballistic surface atom relocations under reactive adsorption and ion irradiation, respectively. The diffusion of adatoms and vacancies, at temperature when they become mobile, provide the means to relax the surface energy. It is recognized that the stabilizing effect of surface adatom diffusion is significant at temperatures below 300–350°C. As the temperature increases, the role of surface adatom diffusion decreases and processes in the bulk become dominant. The atoms of subsurface monolayers occupy energetically favorable sites on the surface, and result in reduced surface energy.
NMR study of heterogeneity in pyridine-N-oxide...HCl crystal
Authors: Balevicius Vytautas , Gacesa Alexandar , Plavec Janez 
Published: August 2006

Abstract
An origin of narrow 1H NMR signals in pyridine-N-oxide (PyO)...HCl crystal has been investigated by means of MAS, SPEDAS, NOESY and COSY techniques. Spectra of crystalline samples are compared with those of solid phase obtained from liquid PyO...HCl solutions (in acetonitile/H2O) after the heterogeneous phase separation. It has been concluded that partially resolved peaks in 1H NMR spectra of solids are related with heterogeneity of spin system and presence of different H-bond clusters of water molecules. NOESY spectra show no cross-peaks even at very long mixing time (500 ms). This indicates there is no exchange process between spins causing different peaks, and thus the corresponding molecular aggregates are captured in “islands of mobility8 without any channels sufficient for exchange. Appearance of MAS side bands as “pseudo8 cross-peaks in 2D NMR spectra using MAS/COSY technique is reported. In the case of accidental coincidence of spinning frequency (ωMAS) with spectral distances between some diagonal signals, intensive non-diagonal peaks are observed at the corresponding cross-positions. A misleading conclusion concerning spin coupling is easy to avoid using various ωMAS.
On the mechanism of the runaway of electrons in a gas: The upper branch of the paschen curve
Authors: Tkachev Alexey , Yakovlenko Sergey 
Published: August 2006

Abstract
Basing on the simulation results, it is shown that the Townsend mechanism of electron multiplication in a gas at sufficiently large interelectrode distances is valid at least up to such large values of E/p at which relativistic electrons are generated. Correspondingly, the runaway electron producing in a gas is determined not by the local criteria accepted presently, but by the ratio of interelectrode distance and the characteristic electron multiplication length. It is shown that the critical discharge voltage U, at which the runaway electrons appear in a given gas, is a function of the product of the interelectrode distance by the gas pressure. This function (U-pd dependence) defines not only well-known Paschen curve but also an additional branch, which describes the absence of a self-sustained discharge at a high voltages sufficiently rapidly supplied across the electrodes. Critical discharge voltage dependence for helium and xenon are presented.
Fullerenes as polyradicals
Authors: Sheka Elena 
Published: August 2006

Abstract
We present the investigation of the electronic structure of X60 molecules (X=C, Si), containing 60 odd electrons with spin-dependent interaction between them. Conditions for the electrons to be excluded from the covalent pairing are discussed. A computational spin-polarized quantum-chemical scheme is suggested to evaluate four parameters—energy of radicalization, exchange integral, atom spin density, and squared spin— to characterize the effect quantitatively. A polyradical character of the species, weak for C60 and strong for Si60, is established.
The effective absorption cross-section of thermal neutrons in a medium containing strongly or weakly absorbing centres
Authors: Drozdowicz Krzysztof , Gabańska Barbara , Igielski Andrzej , Krynicka Ewa , Woźnicka Urszula 
Published: August 2006

AbstractThe structure of a heterogeneous system influences diffusion of thermal neutrons. The thermal-neutron absorption in grained media is considered in the paper. A simple theory is presented for a two-component medium treated as grains embedded in the matrix or as a system built of two types of grains (of strongly differing absorption cross-sections). A grain parameter is defined as the ratio of the effective macroscopic absorption cross-section of the heterogeneous medium to the absorption cross-section of the corresponding homogeneous medium (consisting of the same components in the same proportions). The grain parameter depends on the ratio of the absorption cross-sections and contributions of the components and on the size of grains. The theoretical approach has been verified in experiments on prepared dedicated models which have kept required geometrical and physical conditions (silver grains distributed regularly in Plexiglas). The effective absorption cross-sections have been measured and compared with the results of calculations. A very good agreement has been observed. In certain cases the differences between the absorption in the heterogeneous and homogeneous media are very significant. A validity of an extension of the theoretical model on natural, two-component, heterogeneous mixtures has been tested experimentally. Aqueous solutions of boric acid have been used as the strongly absorbing component. Fine- and coarse-grained pure silicon has been used as the second component with well-defined thermal-neutron parameters. Small and large grains of diabase have been used as the second natural component. The theoretical predictions have been confirmed in these experiments.
Entanglement in the second quantization formalism
Authors: Vedral Vlatko 
Published: August 2006

AbstractWe study properties of entangled systems in the (mainly non-relativistic) second quantization formalism. This is then applied to interacting and non-interacting bosons and fermions and the differences between the two are discussed. We present a general formalism to show how entanglement changes with the change of modes of the system. This is illustrated with examples such as the Bose condensation and the Unruh effect. It is then shown that a non-interacting collection of fermions at zero temperature can be entangled in spin, providing that their distances do not exceed the inverse Fermi wavenumber. Beyond this distance all bipartite entanglement vanishes, although classical correlations still persist. We compute the entanglement of formation as well as the mutual information for two spin-correlated electrons as a function of their distance. The analogous, non-interacting collection of bosons displays no entanglement in the internal degrees of freedom. We show how to generalize our analysis of the entanglement in the internal degrees of freedom to an arbitrary number of particles.
Oscillator rule of the trap activation energies in NaCl crystals
Authors: Gumenjuk Arseniy , Kutovyi Sergiy 
Published: August 2006

AbstractThe energy spectra of traps in NaCl crystals have been studied in detail by the method of thermoluminescence. Crystals of NaCl were undoped but treated thermally in different ways. The activation energies of traps form a single oscillator series, E n=ℏωTL(n+1/2), ℏωTL=903 cm-1. Contrary to other previously studied crystals with complex lattices, the corresponding line ℏωRam=ℏωTL was not found in Raman spectra of NaCl. It is assumed that the oscillator rule is governed by the polaron nature of traps. The trap activation energy is determined by the vibration level from which the transition of the charge carrier to the excited luminescence centre is made possible and depends on the distance between these centres.
A thermodynamic approach to mechanical stability of nanosized particles
Authors: Samsonov Vladimir , Sdobnyakov Nikolay 
Published: August 2006

AbstractThermodynamic stability conditions for nanoparticles (resulting from non-negativity of the second variation of the free energy) have been analyzed for two cases: (i) a nonvolatile nanosized particle with the size-dependent surface tension; (ii) the limiting case of larger objects when the surface tension takes its macroscopic value. It has been shown that the mechanical stability of a nanoparticle, i.e. its stability relative to the volume fluctuations, is defined by an interplay between the excess (“surface”) free energy and the volumetric elastic energy. According to the results obtained, noble gas clusters and metal nanoparticles satisfy the mechanical stability condition. At the same time, water nanodrops, as well as nanoparticles presented by nonpolar organic molecules, correspond to the stability limit. Among the investigated systems, the stability condition is not carried out for n-Pentane clusters.
Systems of orthogonal polynomials defined by hypergeometric type equations with application to quantum mechanics
Authors: Cotfas Nicolae 
Published: August 2006

AbstractA hypergeometric type equation satisfying certain conditions defines either a finite or an infinite system of orthogonal polynomials. We present in a unified and explicit way all these systems of orthogonal polynomials, the associated special functions and the corresponding raising/lowering operators. The equations considered are directly related to some Schrödinger type equations (Pöschl-Teller, Scarf, Morse, etc), and the special functions defined are related to the corresponding bound-state eigenfunctions.
Neutrino oscillations and the early universe
Authors: Kirilova Daniela 
Published: August 2006

AbstractThe observational and theoretical status of neutrino oscillations in connection with solar and atmospheric neutrino anomalies is presented briefly. The effect of neutrino oscillations on the evolution of the early Universe is discussed in detail. A short review is given of the standard Big Bang Nucleosynthesis (BBN) and the influence of resonant and non-resonant neutrino oscillations on active neutrinos and on primordial synthesis of He-4. BBN cosmological constraints on neutrino oscillation parameters are discussed.
Computer aided measurement of biomechanical characteristics of cadaverous lumbar spines
Authors: Bartoněk Luděk , Keprt Jiří , Charamza Jiří , Hrabálek Lumír 
Published: August 2006

AbstractSpecial computer-aided equipment was designed for measurement of biomechanical characteristics of lower part of the spine (L1-L5). When the stress is applied, it is necessary to observe the shift of the sample elements, together with measurement of the spine rigidity. This shift is determined with the help of circular targets fitted to the appropriate vertebra. The targets, illuminated by lamp or laser light, are monitored and their digitalized images are scanned by CCD camera is stored as computer media. The two dimensional Fourier transform of the digital optical signal is obtained by the fast Fourier transform algorithm. The period and direction of the interference fringes determine the size and the direction of the sample shift.
A bicontinuous structure in some systems with cubic mesophases
Authors: Yakunin Andrei 
Published: August 2006

AbstractA cubic structure of polymer colloid complexes is studied. The technique of the research includes i) an analysis of well-known literature SAXS data; on this basis, ii) constructing a simple model to estimate geometric structure parameters and to obtain a simulated scattering curve; and iii) comparing the model with the real structure obtained from the SAXS data, using the reconstruction of electron density distribution. A bicontinuous structure in cubic mesophases is formed.