bluuebunny/crossref_metadata_2025 huggingface dataset:
The generalized de Rham-Hodge theory aspects of Delsarte-Darboux type transformations in multidimension
Authors: Samoilenko Anatoliy , Prykarpatsky Yarema , Prykarpatsky Anatoliy
Published: August 2006

The differential-geometric and topological structure of Delsarte transmutation operators and their associated Gelfand-Levitan-Marchenko type eqautions are studied along with classical Dirac type operator and its multidimensional affine extension, related with selfdual Yang-Mills eqautions. The construction of soliton-like solutions to the related set of nonlinear dynamical system is discussed.
General spectral flow formula for fixed maximal domain
Authors: Booss-Bavnbek Bernhelm , Zhu Chaofeng
Published: August 2006

We consider a continuous curve of linear elliptic formally self-adjoint differential operators of first order with smooth coefficients over a compact Riemannian manifold with boundary together with a continuous curve of global elliptic boundary value problems. We express the spectral flow of the resulting continuous family of (unbounded) self-adjoint Fredholm operators in terms of the Maslov index of two related curves of Lagrangian spaces. One curve is given by the varying domains, the other by the Cauchy data spaces. We provide rigorous definitions of the underlying concepts of spectral theory and symplectic analysis and give a full (and surprisingly short) proof of our General Spectral Flow Formula for the case of fixed maximal domain. As a side result, we establish local stability of weak inner unique continuation property (UCP) and explain its role for parameter dependent spectral theory.
On the apostol-bernoulli polynomials
Authors: Luo Qiu-Ming
Published: August 2006

In the present paper, we obtain two new formulas of the Apostol-Bernoulli polynomials (see On the Lerch Zeta function. Pacific J. Math., 1 (1951), 161–167.), using the Gaussian hypergeometric functions and Hurwitz Zeta functions respectively, and give certain special cases and applications.
Distinguished geodesics and jacobi fields on first order jet spaces
Authors: Balan Vladimir , Voicu Nicoleta
Published: August 2006

In the framework of jet spaces endowed with a non-linear connection, the special curves of these spaces (h-paths, v-paths, stationary curves and geodesics) which extend the corresponding notions from Riemannian geometry are characterized. The main geometric objects and the paths are described and, in the case when the vertical metric is independent of fiber coordinates, the first two variations of energy and the extended Jacobi field equations are derived.
A compound of the generalized negative binomial distribution with the generalized beta distribution
Authors: Gerstenkorn Tadeusz
Published: August 2006

This paper presents a compound of the generalized negative binomial distribution with the generalized beta distribution.

In the introductory part of the paper, we provide a chronological overview of recent developments in the compounding of distributions, including the Polish results. Then, in addition to presenting the probability function of the compound generalized negative binomial-generalized beta distribution, we present special cases as well as factorial and crude moments of some compound distributions.
Zero-dimensional subschemes of ruled varieties
Authors: Ballico Edoardo , Bocci Cristiano , Fontanari Claudio
Published: August 2006

Here we study zero-dimensional subschemes of ruled varieties, mainly Hirzebruch surfaces and rational normal scrolls, by applying the Horace method and the Terracini method
Generalization of weierstrass canonical integrals
Authors: Veselovska Olga
Published: August 2006

In this paper we prove that a subharmonic function in ℝm of finite λ-type can be represented (within some subharmonic function) as the sum of a generalized Weierstrass canonical integral and a function of finite λ-type which tends to zero uniformly on compacts of ℝm. The known Brelot-Hadamard representation of subharmonic functions in ℝm of finite order can be obtained as a corollary from this result. Moreover, some properties of R-remainders of λ-admissible mass distributions are investigated.
Approximation properties of wavelets and relations among scaling moments II
Authors: Finěk Václav
Published: August 2006

A new orthonormality condition for scaling functions is derived. This condition shows a close connection between orthonormality and relations among discrete scaling moments. This new condition in connection with certain approximation properties of scaling functions enables to prove new relations among discrete scaling moments and consequently the same relations for continuous scaling moments.
Lie groupoids as generalized atlases
Authors: Pradines Jean
Published: August 2006

Starting with some motivating examples (classical atlases for a manifold, space of leaves of a foliation, group orbits), we propose to view a Lie groupoid as a generalized atlas for the “virtual structure” of its orbit space, the equivalence between atlases being here the smooth Morita equivalence. This “structure” keeps memory of the isotropy groups and of the smoothness as well. To take the smoothness into account, we claim that we can go very far by retaining just a few formal properties of embeddings and surmersions, yielding a very polymorphous unifying theory. We suggest further developments.
On the topology of spherically symmetric space-times
Authors: Szenthe J.
Published: August 2006

Spherically symmetric space-times have attained considerable attention ever since the early beginnings of the theory of general relativity. In fact, they have appeared already in the papers of K. Schwarzschild [12] and W. De Sitter [5] which were published in 1916 and 1917 respectively soon after Einstein's epoch-making work [7] in 1915. The present survey is concerned mainly with recent results pertainig to the toplogy of spherically symmetric space-times.

Definition. By space-time a connected time-oriented 4-dimensional Lorentz manifold is meant. If (M,<,>) is a space-time, and Φ: SO(3)×M→M an isometric action such that the maximal dimension of its orbits is equal to 2, then the action Φ is said to be spherical and the space-time is said to be spherically symmetric [8]; [11]. Likewise, isometric actions Ψ: O(3)×M→M are also considered ([10], p. 365; [4]) which will be called quasi-spherical if the maximal dimension of its orbits is 2 and then the space-time is said to be quasi-spherically symmetric here. Each quasi-spherical action yields a spherical one by restricting it to the action of SO(3); the converse of this statement will be considered elsewhere.

The main results concerning spherically symmetric space-times are generally either of local character or pertaining to topologically restricted simple situations [14], and earlier results of global character are scarce [1], [4], [6], [13]. A report on recent results concerning the global geometry of spherically symmetric space-times [16] is presented below.
An introduction to finite fibonomial calculus
Authors: Krot Ewa
Published: August 2006

This is an indicatory presentation of main definitions and theorems of Fibonomial Calculus which is a special case of ψ-extented Rota's finite operator calculus [7].
On Martin Bordemann's proof of the existence of projectively equivariant quantizations
Authors: Lecomte Pierre
Published: August 2006

The paper explains the notion of projectively equivariant quantization. It gives a sketch of Martin Bordemann's proof of the existence of projectively equivariant quantization on arbitrary manifolds.
The natural functions on the cotangent bundle of higher order vector tangent bundles over fibered manifolds
Authors: Kurek Jan , Mikulski Włodzimierz
Published: August 2006

For natural numbers r,s,q,m,n with s≥r≤q we determine all natural functions g: T
*(J
(r,s,q)(Y, R
1,1)0)*→R for any fibered manifold Y with m-dimensional base and n-dimensional fibers. For natural numbers r,s,m,n with s≥r we determine all natural functions g: T
*(J
(r,s)(Y, R)0)*→R for any Y as above.
Lie algebraic characterization of manifolds
Authors: Grabowski Janusz , Poncin Norbert
Published: August 2006

Results on characterization of manifolds in terms of certain Lie algebras growing on them, especially Lie algebras of differential operators, are reviewed and extended. In particular, we prove that a smooth (real-analytic, Stein) manifold is characterized by the corresponding Lie algebra of linear differential operators, i.e. isomorphisms of such Lie algebras are induced by the appropriate class of diffeomorphisms of the underlying manifolds.
Truncated Lie groups and almost Klein models
Authors: Giraud Georges , Boyom Michel
Published: August 2006

We consider a real analytic dynamical system G×M→M with nonempty fixed point subset M
G. Using symmetries of G×M→M, we give some conditions which imply the existence of transitive Lie transformation group with G as isotropy subgroup.
Aromatic heterocycles XII. Semiempirical PM3 study of Diels-Alder cycloaddition reaction of substituted phosphabenzenes
Authors: Pacureanu Liliana , Mracec Mircea , Simon Zeno
Published: August 2006

We report the results of a semiempirical PM3 study of the 1,4 cycloaddition reaction of substituted λ3-phosphabenzenes with alkynes. The influence of the nature, position and steric hindrance of substituents on the reaction energy is studied. Except for some values, the results are in reasonable agreement with experimental observations and electronic effects of substituents.
Bimodality of molecular mass distribution of polydienes obtained under the action of dilithium initiators in hydrocarbon media: the reasons, mathematical simulations, and their experimental testing
Authors: Estrin Yakov
Published: August 2006

Bimodal molecular mass distribution (MWD) of polymers, obtained upon polymerization of hydrocarbon monomers in the nonpolar media under the action of dilithium initiators, is the consequence of separation of the reaction mixture into two phases. Bifunctional /living/ oligomers produce the insoluble sediment due to tetrameric association of the lithium active sites (the swollen gel-fraction). Part of the active site remains in the solution (the solfraction). Difference in the concentrations of the active sites into the phases leads to difference between the propagation rates of the /living/ chains and, as a result, to Bimodal MWD. The mathematical model of polymerization in the two-phase system is proposed. Satisfactory agreement between the calculations and the experiments is shown for butadiene polymerization in heptane under the action of 1,4-dilithiumpentane. Regulation of MWD up to the complete elimination of bimodality is possible via the programmed dosage of monomer and solvent into the reactor.
Direct and inverse neural network modeling in free radical polymerization
Authors: Curteanu Silvia
Published: August 2006

The first part of this paper reviews of the most important aspects regarding the use of neural networks in the polymerization reaction engineering. Then, direct and inverse neural network modeling of the batch, bulk free radical polymerization of methyl methacrylate is performed. To obtain monomer conversion, number and weight average molecular weights, and mass reaction viscosity, separate neural networks and, a network with multiple outputs were built (direct neural network modeling). The inverse neural network modeling gives the reaction conditions (temperature and initial initiator concentration) that assure certain values of conversion and polymerization degree at the end of the reaction. Each network is a multi-layer perceptron with one or two hidden layers and a different number of hidden neurons. The best topology correlates with the smallest error at the end of the training phase. The possibility of obtaining accurate results is demonstrated with a relatively simple architecture of the networks. Two types of neural network modeling, direct and inverse, represent possible alternatives to classical procedures of modeling and optimization, each producing accurate results and having simple methodologies.
Heterocyclic inflammation inhibitors
Authors: Sondhi Sham , Rajvanshi Shefali , Singh Nirupma , Jain Shubhi , Lahoti Anand
Published: August 2006

Non steroidal anti-inflammatory drugs are the most widely used medicines for relief of pain. These drugs have some side effects, particularly toxicity in the gastrointestinal tract and kidneys. Various approaches have been used for obtaining safer anti-inflammatory drugs. In this review we have summarized the recent developments in the following areas; (i) mode of action of NSAIDs (ii) Role of COX-1 & COX-2 in inflammation, (iii) Different approaches used to improve gastric tolerance i.e. chemical manipulation, formulation & co-administration, development of non specific (COX-1 & COX-2 inhibitors) and specific (COX-2 inhibitors) inflammation inhibitors, and development of inflammation inhibitors having a mode of action other than COX-1 & COX-2 inhibition. We have also focused on the safety of COX-2 inhibitors and the synthesis of heterocyclic compounds and their role as inflammation inhibitors.
Combined laser and magnetic field treatment of YFeO3—containing films grown by spray-pyrolysis
Authors: Mihailov N. , Vankov O. , Petrova N. , Kovacheva D.
Published: August 2006

Thin films (50–1200 nm) of YFeO3 were deposited on fused silica substrates by spray-pyrolysis using ethylene glycol solution of Y-Fe(III) citric complexes. The films were post deposition annealed at 750°C in static air for 2 h. Films obtained in this way were afterwards irradiated by a burst mode operated Nd-YAG laser (pulse energy 650 mJ, pulse duration 700 μs, energy density 110 mJ/cm2). The laser’s onset was synchronized with that of a magnetic field pulse of nearly square shape (magnetic induction 0.5 T, pulse duration 900 μs). The samples were placed normally to the direction of the magnetic field. The treatment does not affect the phase composition of the film but significantly increases the crystallite sizes of the phases presenting in the sample. The saturation magnetization of the films decreases as a result of the laser and magnetic field treatment and the coercive force increases by 50%.
Aromatic glyoxalimines in criss-cross cycloaddition reactions
Authors: Verner Jiří , Potáček Milan
Published: August 2006

Aromatic 1,4-diazabuta-1,3-dienes in glacial acetic acid with thiocyanates produce via criss-cross cycloaddition reactions the corresponding perhydroimidazo[4,5-d]imidazole-2,5-dithiones. When a mixture of thiocyanate and cyanate in a proper ratio was reacted together, nonsymmetrical 5-thioxo-perhydroimidazo[4,5-d]imidazole-2-ones were isolated. With cyanates substituted aromatic 1,4-diazabuta-1,3-dienes afforded product of acetic acid addition to primary formed 1,3-dipole intermediate 5-(4-substituted phenylamino)-3-(4-substituted phenyl)-2-oxoimidazolidin-4-yl acetate.
Phosphorus (V) porphyrin diaxially substituted with Leu-enkephalin
Authors: Gajewski Mariusz , Czuchajowski Leszek
Published: August 2006

Synthesis of the first phosphorus (V) porphyrin-peptide conjugate was successfully accomplished. A biologically active peptide, leucine enkephalin, was constructed on the phosphorus atom of the 5,10,15,20-meso-tetraphenylporphinato dichlorophosphorus (V) chloride. The method involved solution phase peptide synthesis. The first C-terminal amino acid in the sequence of the peptide was axially attached to the porphyrin through a linker, 3-aminopropanol, and the remainder of leucine enkephalin was synthesized by subsequent additions of amino acids. Leucine enkephalin-P(V) porphyrin conjugate represents a new group of compounds, and its synthesis broadens potential applications of P(V) porphyrine, e.g. in photodynamic therapy.
On the possibilities of ICP-AES for analysis of archaeological bones
Authors: Zlateva B. , Djingova R. , Kuleff I.
Published: August 2006

The possibility of using inductively coupled plasma atomic emission spectrometry (ICP-AES) to determine the elemental composition of archaeological bones elements was evaluated and discussed. The interferences of the major elements (Ca, P, K, Na, Al and Fe) on the microelements (Ba, Cd, Co, Cr, Cu, Mn, Ni, Pb, Sr, Zn) were investigated and the appropriate analytical lines were selected. The role of different nebulizers (cross-flow, Babington and Meinhard) on detection limits were investigated. The applicability of the proposed procedure was demonstrated analyzing IAEA-SRM-H-5 (Animal bone); and authentic bone sample dating back to the 4th century BC. These results were compared to ETAAS and ICP-MS.
Temperature and pH effects on the kinetics of 2-aminophenol auto-oxidation in aqueous solution
Authors: Oancea Dumitru , Puiu Mihaela
Published: August 2006

The kinetics of the auto-oxidation of 2-aminophenol (OAP) to 2-amino-phenoxazin-3-one (APX) was followed in air-saturated aqueous solutions and the influence of temperature and pH on the auto-oxidation rate was studied. The kinetic analysis was based on a spectrophotometric method following the increase of the absorbance of APX. The process follows first order kinetics according to the rate law—d[OAP]/dt=k′[OAP]. The experimental data, within the pH range 4–9.85, were analyzed using both differential and incremental methods. The temperature variation of the overall rate constant was studied at pH=9.85 within the range 25–50°C and the corresponding activation energy was evaluated.
Analytical applications of electrode sensitive to labetalol in pharmaceuticals
Authors: Gorodkiewicz Ewa , Falkowski Paweł , Sankiewicz Anna , Figaszewski Zbigniew
Published: August 2006

The analytical properties of an ion-selective electrode sensitive to labetalol with a liquid membrane, based on ion-pair complexes with sodium tetraphenylborate (TPB-Na+) are described. The studied electrode can be used for the determination of labetalol hydrochloride as a protonated form of labetalol in pharmaceuticals. The calibration curve, e.g. EMF=f(pCLabHCl) is linear in the range from 10−5 to 10−2 mol L−1 with a correlation coefficient of 0.9992 and slope of 61.13 mV/decade, which is close to the Nernstian slope. The detection limit of the examined electrode is 7.20×10−6 mol L−1. The influence of pH of the tested solutions on the formulation of the electrode is not as considerable since the electrode works correctly in the pH range 3.0–8.0. The main attributes of the developed electrode are: stability, good reproducibility of EMF and short response time, close to 30 seconds depending on labetalol concentration in the solution. The electrode shows good selectivity for many inorganic ions. The selectivity for drug cations is weaker due to the structural similarity of the interfering cations to labetalol. The results of labetalol determination using direct potentiometry in drugs such as Pressocard (Polpharma) and Trandate (GlaxoWellcome) were compatible with the quantity of labetalol declared by the manufacturer, and with parallel UV spectrophotometric and HPLC determinations.
On the inverse miniemulsion copolymerization and terpolymerization of acrylamide, N, N′-methylenebis(acrylamide) and methacrylic acid
Authors: Capek I.
Published: August 2006

The kinetics of free-radical copolymerization and terpolymerization of acrylamide (AAm), N, N′-methylenebis(acrylamide) (MBA) and methacrylic acid (MA) in the inverse water/monomer/cyclohexane/Tween 85 miniemulsion was investigated. Polymerizable sterically-stable miniemulsions were formulated in cyclohexane as a continuous medium. Polymerizations are very fast and reach the final conversion within several minutes. The dependence of the polymerization rate vs. conversion is described by a curve with two nonstationary rate intervals. The maximum rate of polymerization slightly increases with increasing concentration of crosslinking monomer (MBA) and strongly decreases by the addition of MA. The rate of polymerization is inversely proportional to the 0.9th and 1.8th power of the particle concentration without and with MA, respectively. The number of polymer particles is inversely proportional to the 0.18th and 0.13th power of MBA concentration. The kinetic and colloidal parameters of the miniemulsion polymerization are discussed in terms of microemulsion polymerization model.
Transformations of xylenes in trimethylammonium hydrochloride—Aluminum chloride ionic liquid
Authors: Ksenofontov V. , Kustov L.
Published: August 2006

Isomerization of m-, o-and p-xylenes in the presence of trimethylammonium hydrochloride-AlCl3 ionic liquid with different composition was studied. Ionic liquids with the following ammonium salt: AlCl3 molar ratios were used: 1∶2, 1∶1.5 and 1∶1.25. It was shown that isomerization of xylenes proceeds under mild conditions at temperatures from 60°C to 110°C. It was found that the activity and selectivity of the ionic liquids depends on their composition. The most effective catalyst was the ionic liquid with the ammonium salt: AlCl3 molar ratio equal to 1∶2.
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

The 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

(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

The 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

β-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

The 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

Transformation 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

Some 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

The 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

The 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

The 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

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

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

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

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

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

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

The 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

We 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

The 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

Thermodynamic 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

A 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

The 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

Special 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

A 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.
Improved (1s)2 variational model for helium
Authors: Reed B.
Published: August 2006

The ground-state energy of neutral helium is estimated variationally with a trial wavefunction of the form ϕ≈e
−γ(rA/a
o)ne−γ(rB/a
o)n. This model represents a modification of traditional textbook examinations of this problem via inclusion of the power “n” as a second nonlinear variational parameter in addition to the usual effective nuclear charge γ and leads to an upper-limit on the ground state energy of −2.86107 Eh (Eh=1 hartree) in comparison with the traditional (n=1) result of −2.84766 Eh. This result represents a reduction of the percentage overestimate from the true ground-state energy (−2.90373 Eh) of from 1.93 to 1.47. In comparison with the maximum accuracy obtainable from an uncorrelated trial wavefunction, −2.86168 Eh, the present trial wavefunction reduces the percentage overestimate from 0.49 (n=1) to 0.021. The optimum values of (n, γ) are determined to be ≈(0.897, 1.825).
Characterization of electrical charge separation at the interface of two aqueous solutions in the presence of concentration gradients and cation/anion mobility ratio asymmetry
Authors: Cernescu Adrian , Luchian Tudor
Published: August 2006

Physical consequences of ionic diffusion processes play a major role on the outcome of electrophysiology experiments due to both their contribution to the ionic transmembrane transport and phenomena taking place at the measuring instruments interface. As most of the time heterogenities in biological media with respect to ionic diffusion constants are disregarded, we intended to look upon the general case of ionic diffusion at the interface of two liquids on which gradients of these diffusion constants no longer can be neglected. We developed a theoretical model for the diffusion potential which emerges at an aqueous interface under gradients of concentration and diffusion constants. The experimental validation of our model was achieved through potential difference measurements of the diffusion potential between two solutions containing sodium chloride (NaCl) and glycerine solutions of various concentrations. Within the studied domain of the electrical charge mobility ratio, we noticed that experimental results are in agreement with the theoretically inferred diffusion potential values. This demonstrates that the resulting relationship for the diffusion potential inferred from our model could be applied for other cases, as well. When the ionic solutions contains an indefinite quantity of glycerine or an unknown substance able to modify diffusion constants of sodium and chloride, it was shown that through measurements of the diffusion potential one can infer the unknown concentration of glycerine and the modified ionic mobility ratio. This, in turn, builds up the foundation for a novel yet simple and efficient analitycal sensing device for quantitative determination in the field.
Extraction of interatomic potentials from structure of liquids
Authors: Rovenchak Andrij
Published: August 2006

The connection between interatomic potentials and structure functions of liquids is studied. The expressions for two- and three-body potentials are obtained. The contribution of three-body effects is found to be significant, reaching several per cent of the ground-state energy.