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Anaemia, a decrease in total concentration of haemoglobin (Hb) in blood, affects substantial percentage of the population worldwide. Currently, the gold standard for determining the Hb level is the invasive analysis of venous blood. Yet, more and more research groups demonstrate the possibility of non-invasive Hb assessment using white light imaging of tissue sites where Hb is the main chromophore, in particular, fingernails. Despite the promising declarations, non-invasive Hb assessment via RGB-imaging is still poorly used in practice. The main reason is the difficulty in establishing the true accuracy of the methods presented in different works since they are tested on private datasets collected under different experimental conditions. Here we present an open dataset containing RGB images of skin and fingernails for patients with a known level of Hb, thus providing a single benchmark for researchers and engineers in the field, aimed at fostering translation of non-invasive imaging methods to the bedside. [ABSTRACT FROM AUTHOR]

The structure of four-layer coatings with a total thickness of 9 mm made of high-speed molybdenum steel S2-9-2 (W2Mo9Al) was studied. The coatings were obtained on a substrate of 41CrMo4 (30CrMnSi) steel by plasma cladding using a powder wire in a mixture of argon and nitrogen. The structure of the coating was studied by electron microscopy and energy-dispersive x-ray spectroscopy (EDS) on sample sections. It is shown that the microhardness of the deposited layer varies in the range of 5.2 – 6.6 GPa. This is due to the formation of an inhomogeneous structure in the deposited layer consisting of grains of an iron-based solid solution, at the joints and along the boundaries of which are inclusions of eutectic enriched mainly with Mo, Cr, and W. Grain sizes vary between 5 and 20 μm. A sub-grain structure is observed in the grain volume, indicating substructural hardening of the deposited layer. The sizes of the sub-grains vary between 1.5 and 2.5 μm. The layer of the alloy S2-9-2 deposited on 41CrMo steel exhibits a framework-like structure. The main alloying elements of the clad layer are Fe, Mo, Cr, W, and Al. [ABSTRACT FROM AUTHOR]

Using the methods of scanning and transmission electron microscopy, the structural-phase states in the transition zone of a layer of fast-cutting S-2-9-2 steel (European standard) surfaced on 14331 medium-carbon steel (CSN standard) is investigated after tempering and electron-beam treatment. As a result of surfacing, a carbide network structure is formed, while there is no network in the transition zone. A plate-like martensitic structure is observed to form in the transition zone. The carbide phase particles measuring up to tens of nanometers demonstrate different morphology in the transition zone. They localize along the grain boundaries of martensitic crystals and austenitic interlayers and on dislocations in the bulk of the martensitic plates. [ABSTRACT FROM AUTHOR]

Using the methods of advanced material physics, the structural-phase state of a layer of high-entropy high-speed non-equiatomic molybdenum tool steel formed by electric arc surfacing in a nitrogen atmosphere is studied. The thermodynamical and mechanical (elastic moduli) properties of the surfaced layer are examined in a temperature interval of 300–1400°C, and a phase-composition diagram is presented. It is observed that a temperature increase is accompanied by an α→γ polymorphic transformation, followed by a decrease in the content of carbide phases and elastic moduli. [ABSTRACT FROM AUTHOR]

Recent publications of foreign and Russian researchers on the influence of niobium microalloying of pearlite steels and high-entropy alloys on their mechanical properties are briefly reviewed. The focus is made on the Nb effect on the microstructure and properties of rail steels and five-component (CoCrFeNiMn) Cantor alloys. The physical mechanisms of strengthening rail steels and high-entropy alloys are revealed and analyzed. An enhanced alloying effect in the case of a combined introduction of Nb + V and Nb + C into the high-entropy alloys is noted and interpreted. [ABSTRACT FROM AUTHOR]

The effect of modifying ZnO powders with MgO nanoparticles (with a concentration of 0.1–10 wt %) on their diffuse reflectance spectra in the region of 0.2–2.5 μm before and after irradiation with 30 keV electrons was studied. Modification of ZnO powder was carried out by MgO nanopowder with a concentration from 0.1 to 10 wt % using a solid-state method at a heating temperature of 650°C. X-ray diffraction analysis showed that with this modification method there is no formation of additional phases. It was shown that zinc oxide structure symmetry belongs to the P 63mc space group; magnesium oxide, to the Fm–3m space group. The spectral reflectance of such powders in the visible region is over 90%. Under irradiation of original and modified ZnO powders, as well as the MgO nanopowder, by 30 keV electrons, a decrease in their reflectance is recorded in the entire studied region of the spectrum. It was established that modification with MgO nanoparticles at a concentration of 3 wt % leads to an increase in radiation resistance by a factor of 1.32 compared to unmodified samples. This effect is determined by the sink of radiation defects on the large specific surface area of nanoparticles. [ABSTRACT FROM AUTHOR]

A comparative analysis of the diffuse reflectance spectra and their changes after irradiation with electrons with an energy of 30 keV of coatings based on polymethylphenylsiloxane resin and pigment powders of two-layer hollow ZnO/SiO2 particles is carried out. The analysis is performed in situ in the range of 250–2500 nm. The samples are irradiated using a Spectrum space-conditions simulator. The radiation resistance of the studied coatings based on two-layer hollow ZnO/SiO2 particles is estimated relative to coatings based on ZnO polycrystals by analyzing the difference diffuse reflectance spectra obtained by subtracting the spectra after irradiation from the spectra of the unirradiated samples. It is found that the intensity of the induced absorption bands in coatings based on hollow ZnO/SiO2 particles is less than in coatings based on ZnO microparticles, and the radiation resistance when estimating changes in the integral absorption coefficient of solar radiation (ΔαS) is twice as high. The increase in the radiation resistance is probably determined by the different nature of defect accumulation: in the case of solid microparticles, defects can accumulate inside grains; in hollow particles, the accumulation of defects can occur only within the thin shell of the sphere. [ABSTRACT FROM AUTHOR]

Using the methods of advanced materials science, the structural-phase states and properties of multiple plasma-surfaced layers of the R2M9U steel formed in a shielding-alloying nitrogen environment on the 30HGSA steel are studied after its subsequent triple high tempering. It is found out that a framework-type structure is formed in the surfaced layer, wherein the base element is iron and the atoms of Mo, N, Cr, and V are localized in lengthy interlayers of the skeletal network formed by the carbide phase of different compositions. The atoms of Al are concentrated in the globular particles chaotically distributed in the surface layer volume. Both in the layer surface and in the zone of its contact with the substrate there are microcracks located along the phase boundaries. After the triple high tempering, the framework material structure is retained. A significant increase (a factor of 1.4) in the surfaced layer microhardness is revealed, which is attributed to the formation of a martensitic structure in the grain bulk, implying substructural strengthening of the material. The tempering is accompanied by a decomposition of the solid solution, followed by the formation of submicron-sized second-phase particles, indicating a dispersion strengthening mechanism. [ABSTRACT FROM AUTHOR]

Al–3Ti–1B and Al–5Ti–1B master alloys represent the most popular modifiers for the majority of aluminum alloy groups. To date, several methods, requiring various conditions and resource costs, have been applied for producing these master alloys. The paper presents the results of a comparative analysis of methods for producing Al–3Ti–1B master alloy using both a Ti sponge and salts (K2TiF6 and KBF4) as the starting components. The degree of Ti and B recovery for three methods of the master alloy production was experimentally established. The phase and element compositions of slags were studied; the amount of fluorine gas, emitted during the master alloy production, was calculated. A method, using a titanium sponge and molten KBF4 + KCl mixture, was identified to ensure a recovery of Ti and B equal to 88.10 and 72.20%, respectively. The modifying ability of the produced master alloys was studied both according to the TP-1 method and using the laboratory and industrial unit of semi-continuous casting. [ABSTRACT FROM AUTHOR]

This paper presents the results of a study of the thermal behavior of fedotovite K2Cu3O(SO4)3 and piypite K4Cu4O(SO4)4∙(Na,Cu)Cl minerals in a wide temperature range. The crystal structure of the holotype piypite specimen is refined at room temperature. The mechanisms of thermal expansion of minerals depending on the crystal structure are described. [ABSTRACT FROM AUTHOR]

It is established that firing samples (granules) in a layer of fluxed magnetite iron ore concentrates are accompanied by complex physicochemical processes related to the oxidation of magnetite and the decomposition of carbonates. When they are heated, along with heat exchange processes, mass transfer processes also occur. These processes are interrelated and affect each other, as well as the degree of completion of the processes of oxidation and decarbonization in the layer. The oxidation mechanism of the samples containing magnetite is considered. A model of the mass transfer process for the period of decomposition of carbonates is refined. An equation is proposed that describes the kinetics of magnetite oxidation in samples upon heating for a more general form of boundary conditions. An equation is presented that makes it possible to determine the rate constant of the oxidation process depending on the characteristics of the heat-carrier gas and the properties of the material. A calculation procedure is developed to determine the diffusion coefficient of oxygen in the combustion products of various fuels. Experiments are carried out to study the kinetics of oxidation and decarbonization processes in a layer of granules on an experimental setup, which make it possible to simulate these processes in relation to different periods of their heat treatment in thermal plants and determine the mass transfer coefficients. This will make it possible to determine the degree of completion of processes by the height of the layer at the given values of the temperature and duration of firing. [ABSTRACT FROM AUTHOR]

High-manganese austenitic Hadfield steel is the main material for manufacturing parts for mining, crushing, and grinding equipment. A key role in material property formation is played by chemical composition, the adjustment of which, with the introduction of alloying elements, may significantly improve operational performance. This article presents determination of steel 110G13L optimum chemical composition, while maintaining requirements for impact strength. Of particular interest is thorough analysis of data for a wide range of major elements: C from 0.9 to 1.3% and Mn from 11 to 16%. Mathematical statistics and forecasting tools are used for processing results, which makes it possible to accept with sufficient reliability analysis results for the Fe–1.1C–12.87Mn–0.6Si–0.4Cr system for subsequent research. [ABSTRACT FROM AUTHOR]

A method has been developed for calculating the proton beam transmission of static objects with a quasi-uniform areal density from a single proton radiography image under the condition of a Gaussian-like transverse beam profile. The calculated images of the transmission are intended to reconstruct the density of the investigated objects. A proton radiography of static targets was performed on an experimental setup with special magnetic optics PUMA with a proton energy of 800 MeV and an intensity of 1010 particles per image. It is shown that the application of the method makes it possible to reconstruct the proton beam transmission of the object under study with an average relative error of approximately 1–1.2%. [ABSTRACT FROM AUTHOR]

A technique for measuring the spatial heterogeneity of the light yield of a proton radiography scintillator has been developed. It is based on the recording of digital images formed during the passage of a proton beam through a scintillator and the approximation of the intensity distribution in the beam cross section by a two-dimensional Gaussian-like function. The results of the spatial calibration of the light yield of a lutetium silicate scintillator obtained using a magneto-optical proton microscope PUMA are presented. It is shown that accounting of the spatial heterogeneity of the scintillator makes it possible to describe the transverse beam intensity at each point of the proton radiographic image with a mean accuracy of about 0.7%. Experimental data on fluctuations in the position of the beam center, its size, and shape in the scintillator plane of PUMA microscope were obtained. The proposed technique eliminates optical artifacts in the radiographic image caused by operation of the optical recording system and artifacts caused by the electron-optical shutter, provided that the signal is proportional to the intensity of the beam. It also eliminates or strongly suppresses optical artifacts in radiographic images due to changes in the efficiency of a charge-coupled digital camera. [ABSTRACT FROM AUTHOR]

We studied the possibility of using microwave radiothermometry of the brain in biorhythmology. It was found that the temperature variability of the frontal lobes of the right and left hemispheres strictly corresponded to the 24-h cycle was characterized by the oscillation amplitude of 1.2-1.4°C, which significantly exceeded the amplitude of the basal temperature. A conclusion was made about the informative value of the method of noninvasive registration of the 24-h dynamics of the brain temperature. [ABSTRACT FROM AUTHOR]

A method to obtain composite sorbents based on multilayer carbon nanotubes and AEROSIL has been developed, including mechanochemical treatment and gelation. The sorbents have been characterized by means of scanning electron microscopy, thermogravimetry, and adsorption methods. Multilayer carbon nanotubes have been fixed in a silica matrix, retaining their individuality; the synthesized sorbents have exhibited a mesoporous structure with developed surface. The nanocomposites based on carbon nanotubes with specific surface area of 200–270 m2/g can be efficient sorbents for the isolation of pure C70 fullerene and the concentrating of volatile organic compounds. [ABSTRACT FROM AUTHOR]

A quantitative comparative analysis of the strengthening mechanisms for the surface layers of rails is carried out. It is based on the regularities in forming structure, phase composition, defective substructure, and properties of differentially hardened 100-m rails at different depths (up to 10 mm) and performed in the rail head along the central axis and along the symmetry axis of the fillet in the initial state and after various periods of extreme operation (with the handled tonnage of 691.8 and 1411 million gross tons). These regularities are identified using the methods of modern physical materials science. Contributions to strengthening due to friction of the matrix lattice, intraphase boundaries, dislocation substructure, the presence of carbide particles, internal stress fields, and solid solution strengthening of the pearlite constituent in the steel structure are assessed. [ABSTRACT FROM AUTHOR]

TEM and X-ray diffraction studies were carried out to examine changes in the structure, phase composition, and defect substructure in the head of a differentially hardened rail after 691.8 and 1411 million gross tons (MGT) of traffic. The rail material was examined along the central axis of the head and along the gauge corner radius at distances of 0, 2, and 10 mm from the tread surface. The redistribution of carbon atoms was quantitatively analyzed. It was shown that long-term operation of rails is accompanied by two simultaneous processes related to the evolution/degradation of the structure and phase composition of lamellar pearlite colonies, namely, cutting and cold dissolution of cementite lamellae. The first process involves the cutting of carbide particles and the subsequent dragging of their fragments, which causes changes only in their linear dimensions and morphology. The second process is the fracture of cementite lamellae in pearlite colonies due to the migration of carbon atoms from the cementite lattice to dislocations, which creates favorable conditions for a structural-phase transformation in the rail metal. The reason of this is the low average binding energy of carbon atoms with dislocations (~0.6 eV) and with iron atoms in the cementite lattice (~0.4 eV). Cementite nanoparticles were revealed in the ferrite matrix; their appearance was accompanied by dislocation glide and deformation-induced decomposition of carbon solid solution in α-iron. The curves of the change in the total yield strength versus the distance to the tread surface along different directions in the rail head were plotted. The carbon content in the structural elements of rail steel was estimated. It was found that carbon in the initial state is mainly contained in cementite particles, while in rails subjected to traffic loading it is located, along with cementite particles, at crystal structure defects (dislocations, grain boundaries, subgrains). In the surface layer of steel, carbon is also present in the crystal lattice of α-iron. The results on the redistribution of carbon atoms are interpreted using the concept of interstitial bifurcation structural states in lattice curvature zones. [ABSTRACT FROM AUTHOR]

by methods of transmission electron diffraction microscopy the layer-by-layer analysis was carried out and quantitative parameters of structural phase states, dislocation substructure, internal stress fields and particles of carbide phase in the head of 100-meter rails along the central axis and along the fillet after differentiated hardening were revealed. It was shown that differentiated hardening forms a morphologically multi-aspect structure presented by grains of lamellar perlite, ferrite-carbide mixture and structurally free ferrite in surface layers up to 10 mm in depth. It was determined that the structure being formed has a gradient character. The state of surface layer depends on direction of study (along central axis and along the fillet) and depth of occurrence of the layer under study. It was detected that relative content of structurally free ferrite grains and ferrite-carbide mixture grains decrease when distance from rail surface increases. The facts revealed as a result of the studies performed testify to a higher cooling rate of fillet surface with respect to surface material located along the central axis. [ABSTRACT FROM AUTHOR]

Abstract—The concepts of nucleation processes occurring near the three-phase contact line are developed under conditions of poor wettability of the vertex (end) face of the threadlike nanocrystal by a liquid catalyst drop. [ABSTRACT FROM AUTHOR]

The characteristics of the electron beam generated by a subnanosecond accelerator with double sharpening in the voltage-pulse shaping circuit have been recorded. The duration of the electron-beam current pulse was 240–270 ps, the current amplitude was approximately 1.5 kА, and the maximum electron energy was approximately 0.95 MeV. The pulse-response characteristics of SPPD29k and SPPD29-02 X-ray semiconductor detectors were determined: their full widths at the half-maximum τ0.5 were approximately 320±30 and 450±30 ps, respectively. [ABSTRACT FROM AUTHOR]

The evolution/degradation of the structure and phase composition of rail head material of 100-meter differentially quenched rails after extremely long-term operation is analyzed. It is shown that similar conditions of loading result in different structural transformations on the rail head surface. The formation of lattice curvature in crystal interstitial sites and initiation of highly mobile interstitial structural states there cause a dissolution of pearlite. It occurs at a depth of ≈10 mm. It is superimposed by the formation of a nanoscale substructure in the tread surface in a layer ≈2 mm thick. The nanoparticles of the carbide phase precipitate on the boundaries of the substructure. The failure of the rail metal will proceed, in the first place, in the surface layer where a critical level of the crystal lattice curvature is formed and the concentration of interstitial vacancies is maximum. [ABSTRACT FROM AUTHOR]

Abstract: The principles of the design and structural and circuitry-engineering solutions of direct digital synthesizers based on the method of the direct digital synthesis of frequencies and signals are proposed. The block and circuit diagrams of a direct digital synthesizer of complex frequency-modulated signals are shown. The synthesizer allows the synthesis of amplitude-, frequency-, and phase-modulated signals within the frequency range of 0.001-200 MHz. [ABSTRACT FROM AUTHOR]

A subnanosecond electron accelerator prototype based on the ARSA small-size accelerator with a gas-filled former (nitrogen ~4 MPa) has been developed and studied. The operation principle of the former involves charging of a short storage line and its discharge to a stepped line with an accelerating tube that generates electrons. The recorded electron-beam current pulse length was t = 0.3 ns, the current amplitude was at least 1.5 kA, and the maximum electron energy was ~850 keV. [ABSTRACT FROM AUTHOR]

A 3-year study of the biota of the remote mountain lakes of Amut, Balan-Tamur, and Yakondykon, situated in the Dzherginsky State Reserve in the Baikalian region of Eastern Siberia, was carried out from 2006 to 2008. Examining the biota of non-modern and non-industrialised mountain lakes allowed us to reveal its background in relation to the species composition of plankton, the main groups of benthos and fishes, production potential, and seasonal dynamics of the ecosystem's basic links. Our data on pH and biota were compared with the findings of a previous study in 1986 in order to evaluate possible changes associated with probable acidification. We observed that the lakes of the Dzherginsky State Reserve have high species diversity. Despite this, they are classed as oligotrophic water-bodies with regard to the development level of their planktonic and benthic coenoses. These lakes are not polluted by anthropogenic activity and so could be considered as a pattern of ecologically pure water-bodies. It is important to add that high mountain lakes of Pribaikalye presently serve as refuges for species that were widespread during past geological epochs. [ABSTRACT FROM AUTHOR]

An analysis of differential methylation of 47 imprinted genes in placenta tissues of spontaneous abortions at the first trimester of pregnancy from women with recurrent pregnancy loss or with one sporadic abortion was performed using the DNA-microarray approach. We showed that epimutations of the imprinted genes were registered significantly more often in abortions from women with recurrent miscarriage in contrast to the embryos from women with sporadic pregnancy loss with frequency of 6.2 and 3.7% per locus, respectively (p < 0.01). The predominant type of epimutation appeared to be a postzygotic hypomethylation of the imprinted genes on chromosomes of maternal origin, which was observed in the examined samples in 5.1 and 2.89% of cases, respectively. Replicative study of the methylation status of seven imprinted genes ( DLK1, PEG10, PLAGL1, KCNQ1OT1, PEG3, GRB10, and PEG1/MEST) in the enlarged embryo samples supported the results of microarray analysis in respect to both epimutation frequency and predominance of somatic hypomethylation of maternal alleles. It was also demonstrated that pregnancy loss was associated with multilocus methylation defects of imprinted genes, the frequency of which was also significantly increased in the placental tissues of spontaneous abortions in women with recurrent miscarriage. [ABSTRACT FROM AUTHOR]

The diffuse reflection spectra of coatings based on ZnO powders modified by SiO nanoparticles are investigated in the range of 360-2100 nm. Spectral variations caused by irradiation with accelerated electrons ( E = 30 keV, Φ = 1 × 10-7 × 10 cm, P = 10 Torr, and T = 300 K) are analyzed. It is ascertained that the radiation resistance enhances insignificantly after the modified powders are heated for 2 h at 500°C. It is demonstrated that the low modification efficiency can be explained by the amorphous state of the silicon dioxide nanopowder. [ABSTRACT FROM AUTHOR]

A proton radiography facility with the use of magnetic optics (PUMA proton microscope) has been developed at the TWAC-ITEP accelerator-accumulator facility (the ITEP terawatt accumulator) for measuring the substance density distribution inside static and dynamic objects using the proton beam with an energy of 800 MeV. The proton radiographic image of an object of investigation placed in the object plane of the setup is formed in the plane of the detector with magnification K = 4 with the aid of the magneto-optical system consisting of four quadrupole lenses on permanent magnets. The PUMA facility is intended for measuring objects with an areal density of up to 20 g/cm with a field of vision as large as 20 mm in diameter. The spatial resolution of radiographic images depends strongly on the areal density of the object of investigation. For the PUMA facility, the spatial resolution varies from 60 to 115 μm at an areal density of 0.46-17 g/cm, respectively. The dynamical state of substance can be investigated in four consecutive radiographic images, since the time structure of the proton beam consists of four pulses, each with a duration of 47 ns (full width at half maximum (FWHM)) and an interval of 250 ns between them. This article is devoted to the description of the proton microscope construction. The main metrological characteristics of the facility are described using experiments with static and dynamic objects as an example. [ABSTRACT FROM AUTHOR]

Herein, we describe the synthesis of the adenosine A antagonist ZM 241385 ( 9) starting from commercially available 2-furanhydrazide ( 1) and including a comprehensive structural characterization of all the intermediates and the final product. In addition, extensive NMR analysis, including temperature and concentration-dependent experiments, are reported as well as the first single-crystal structure of the compound ZM 241385 ( 9) as the trihydrate. Furthermore, an extensive structural comparison of the single-crystal structure with the published protein bound X-ray structures is reported. [ABSTRACT FROM AUTHOR]

By differential scanning microcalorimetry, measurements of specific electrical resistivity, and X-ray crystal structure analysis, a spectrum of structural transformations during isochronous heating of thinfilm metal glasses of NiNb alloy over the range of temperatures of 20-950°C is investigated. [ABSTRACT FROM AUTHOR]

The development of a depression-like state in C57BL/6 J mice is accompanied by significant reductions in immune responses. Administration of the selective agonist of 5-HT receptors 8-OH-DPAT to these animals at doses affecting both presynaptic receptors (0.1 mg/kg) and postsynaptic receptors (1.0 mg/kg) did not alter the number of IgM antibody-forming cells (AFC) in the spleen at the peak of the immune response, i.e., day 4 after administration of sheep erythrocytes, in mice with depression-like behavior. At the same time, activation of presynaptic 5-HT receptors in control mice (without experience of victory or defeat) induced increases in the immune response, while stimulation of postsynaptic receptors led to immunosuppression. The question of decreases in the sensitivity of pre- and postsynaptic 5-HT receptors during formation of depression-like behavior and the role of the functional activity of this type of receptor in the development of the immune responses in these conditions is discussed. [ABSTRACT FROM AUTHOR]

Stages are considered for the development of thermal strengthening technology in different classes of reinforcing bar at the West Siberian Metallurgical Combine. The structural evolution of devices for thermal strengthening of reinforcement 10-50 mm in diameter in a bar rolling mill line, and also production developments for optimizing interrupted hardening regimes are analyzed. Results of metallographic and electron-microscope studies of the structural composition formed in a bar cross section are used to demonstrate thermal strengthening of A500S class reinforcement No. 32 from steel 18G2S. The effect of induced cooling regimes on the strength of reinforcing bar and individual layers of a structural composite is analyzed. It is established that the main contribution to strength improvement is made by hardened structures of the surface layer. Continuous improvement of thermal strengthening technology and devices makes it possible to increase production efficiency for reinforcing bar due to a reduction in alloying used for the steels. [ABSTRACT FROM AUTHOR]

Schizophrenia is a debilitating mental disorder which affects approximately 1% of the world’s population. Clozapine is an atypical antipsychotic showing unmatched effectiveness in the control of treatment- resistant schizophrenia. Unlike typical antipsychotics, clozapine does not induce extrapyramidal side effects (EPS), tardive dyskinesia or elevate prolactin levels. However, clozapine can induce a potentially fatal blood disorder, agranulocytosis, in 1–2% of patients, severely limiting its clinical use. The model for antipsychotic activity under investigation is based on obtaining a clozapine-like profile with preferential dopamine D4 and serotonin 5-HT2A receptor affinity. Profiled herein are three unique members of a series of prospective antipsychotic agents. Compound (I) originated from the structural hybridization of the commercial therapeutics, clozapine and haloperidol, whilst compounds (II) and (III) possess an alternative tricyclic nucleus derived from JL13; a clozapine-like atypical antipsychotic developed by Liégeois et al . These compounds have been synthesized and characterized by means of elemental analysis, IR, 1H and 13C-NMR spectroscopy, MS and X-ray diffraction. Compound (I) crystallizes in space group P(−1) with a = 10.5032(1), b = 10.6261(2), c = 12.6214(3) Å, α = 81.432(1)°, β = 83.292(1)°, γ = 61.604(1)°, Z = 2, V = 1223.62(4) Å3, C28H29ClN4O, Mr = 473.00, Dc = 1.284 Mg/m3, μ = 0.185 mm−1, F(000) = 500, R = 0.0506 and wR = 0.1304. Compound (II) crystallizes in the monoclinic space group P21/ c with a = 10.8212(2), b = 9.3592(2), c = 22.9494(5) Å, β = 106.471(1)°, Z = 4, V = 2228.88(8) Å3, C25H25ClN4O2, Mr = 448.94, Dc = 1.338 Mg/m3, μ = 0.202 mm−1, F(000) = 944, R = 0.0529 and wR = 0.1129. Compound (III) crystallizes in the monoclinic space group P21/ c with a = 10.5174(2), b = 9.3112(2), c = 24.2949(5) Å, β = 98.666(1)°, Z = 4, V = 2352.03(8) Å3, C25H24Cl2N4O2, Mr = 483.38, Dc = 1.365 Mg/m3, μ = 0.306 mm−1, F(000) = 1008, R = 0.0478 and wR = 0.1067. The solid state conformations of (I), (II) and (III) exhibit the characteristic V-shaped buckled nature of the respective dibenzodiazepine and pyridobenzoxazepine nuclei with the central seven-membered heterocycle in a boat conformation. The molecules of (I) form a head-to-tail dimeric motif stabilized by hydrogen bonding. The results of a conformational analysis of compounds (I)–(III) investigating the effect of environment (in vacuo and aqueous solution) are presented. These analogues were tested for in vitro affinity for the dopamine D4 and serotonin 5-HT2A receptors and their comparative receptor binding profiles to clozapine and JL13 are reported. [ABSTRACT FROM AUTHOR]

Thermohydraulic studies of reactor facilities with fast reactors are complex experimentally and computationally. Extensive experimental data are obtained on the velocity and temperature profiles, hydrodynamic resistance and heat emission, initial heat section, and interchannel mixing of the coolant in the fuel assemblies. These are used to develop engineering methods of performing thermohydraulic calculations of fuel assemblies as well as computational compute codes. The particulars of the hydrodynamics and heat transfer in intermediate heat exchangers and steam generators of reactor facilities with fast reactors are studied. This has made it possible to validate their thermohydraulic characteristics. [ABSTRACT FROM AUTHOR]

Theory of computer calculations strongly depends on the nature of elements the computer is made of. Quantum interference allows to formulate the Shor factorization algorithm turned out to be more effective than any one written for classical computers. Similarly, quantum wave packet reduction allows to devise the Grover search algorithm which outperforms any classical one. In the present paper we argue that the quantum incoherent tunneling can be used for elaboration of new algorithms able to solve some NP-hard problems, such as the Traveling Salesman Problem, considered to be intractable in the classical theory of computer computations. [ABSTRACT FROM AUTHOR]

Isotopic pairs—algebraic objects suitable for describing some forms of non-Hamiltonian (magnetic-type) interactions of Hamiltonian systems at the quantum level—are considered with maximum generality within the framework of the vector superalgebra formalism. [ABSTRACT FROM AUTHOR]