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Publications 1-3 WOS


Author: Shishkov, Andrey (Q2) DISCRETE AND CONTINUOUS DYNAMICAL SYSTEMS-SERIES S Volume: 10 Issue: 4 Pp.: 895-907 

There is studied asymptotic behavior as t -> T of arbitrary solution of equation Po(u) := u(t) - Delta u = a(t, x)u - b(t, x)vertical bar u vertical bar(P-1)u in Gamma 0,T) x Omega, where Omega is smooth bounded domain in R-N, 0 < T < infinity, p > 1, a(.) is continuous, b(.) is continuous nonnegative function, satisfying condition: b(t, x) >= a(1)(t)g(1)(d(x)), d(x) := dist(x,partial derivative Omega). Here g(1)(s) is arbitrary nondecreasing positive for all s > 0 function and a(1)(t) satisfies: a(1)(t) >= c(0) exp(-w(T - t)(T - t)(-1)) for all t < T, c(0) = coast > 0 with some continuous nondecreasing function w(T) >= 0 for all(T) > 0. Under additional condition: w(T) -> w(0) = const > 0 as T -> 0 it is proved that there exist constant k : 0 < k < infinity, such that all solutions of mentioned equation (particularly, solutions, satisfying initial-boundary condition u vertical bar Gamma = infinity, where Gamma = (0, T) x partial derivative Omega U {0} x Omega) stay uniformly bounded in Omega(0) := {x is an element of Omega : d(x) > kw(0)(1/2)} as t -> T. Method of investigation is based on local energy estimates and is applicable for wide class of equations. So in the paper there are obtained similar sufficient conditions of localization of singularity set of solutions near to the boundary of domain for equation with main part P-0(u) = (vertical bar u vertical bar(lambda-1)u)t - Sigma(N)(i=1)(vertical bar del(x)u vertical bar(q-1)u(xi) if 0 < lambda <= q < p.


2)      Second-order optimality conditions for singular extremals in optimal control problems with equality endpoint constraints

Author: Arutyunov, A. V.; Shvartsman, I. A.; Zhukovskaya, Z. T.


In this paper we use the method of finite-dimensional approximations to derive the second-order necessary optimality conditions for singular Pontryagin local minimizers in optimal control problems with equality endpoint constraints. (C) 2017 Elsevier Ltd. All.


3)      Analysis of Hair Trace Elements in Children with Autism Spectrum Disorders and Communication Disorders

Skalny, Anatoly V.; Simashkova, Natalia V.; Klyushnik, Tatiana P.; and others.

(Q2) BIOLOGICAL TRACE ELEMENT RESEARCH Volume: 177 Issue: 2 Pp.: 215-223

The primary objective of the present study is analysis of hair trace elements content in children with communication disorder (CD) and autism spectrum disorder (ASD). A total of 99 children from control, CD, and ASD groups (n = 33) were examined. All children were additionally divided into two subgroups according to age. Hair levels of trace elements were assessed using inductively coupled plasma mass spectrometry. The difference was considered significant at p < 0.01. The obtained data demonstrate that children with CD are characterized by significantly increased hair lithium (Li) (96 %; p = 0.008), selenium (Se) (66 %; p < 0.001), arsenic (As) (96 %; p = 0.005), beryllium (Be) (150 %; p < 0.001), and cadmium (Cd) (72 %; p = 0.007) content, being higher than the respective control values. In the ASD group, hair copper (Cu), iodine (I), and Be levels tended to be lower than the control values. In turn, the scalp hair content of Se significantly exceeded the control values (33 %; p = 0.004), whereas the level of iron (Fe) and aluminum (Al) tended to increase. After gradation for age, the most prominent differences in children with CD were detected in the elder group (5-8 years), whereas in the case of ASD-in the younger group (3-4 years old). Taking into account the role of hair as excretory mechanism for certain elements including the toxic ones, it can be proposed that children suffering from ASD are characterized by more profound alteration of metal handling and excretion in comparison to CD.


4)      Composition dependence of the multifunctional properties of Nd-doped Bi4Ti3O12 ceramics

Author: Ivanov, Sergey A.; Sarkar, Tapati; Fortalnova, Elena A.; and others.


Sample preparation, evolution of the crystal structure with Nd content at room temperature, as well as dielectric and magnetic properties of polycrystalline Bi4-xNdxTi3O12 solid solutions (x = 0.0, 0.5, 1.0, 1.5, and 2.0) are reported. These solid solutions were structurally characterized by X-ray powder diffraction using Rietveld refinements. For x <= 1.0, the samples crystallize in an orthorhombic symmetry. The structural data could be refined using the polar orthorhombic space group B2cb. The orthorhombicity decreases with increasing Nd3+ concentration, and a paraelectric tetragonal structure (space group I4/mmm) is stabilized for x > 1. The ferroelectric Curie temperature was found to monotonously decrease with increasing Nd concentration. A polar-to-nonpolar phase transition takes place near x = 1, reflecting the existence of a morphotropic phase boundary between 1.0 < x < 1.5 at room temperature. All samples were found to be paramagnetic down to 5 K, however, the presence of significant antiferromagnetic interaction is inferred from Curie-Weiss analyses of the temperature dependence of the magnetic susceptibility of the doped samples. The effect of Nd3+ substitution on structure-property relationship is discussed and compared to that of other lanthanide cations.


5)      Serum trace elements are associated with hemostasis, lipid spectrum and inflammatory markers in men suffering from acute ischemic stroke

Author: Skalny, Anatoly V.; Klimenko, Lydmila L.; Turna, Aliya A.; and others.

(Q2) METABOLIC BRAIN DISEASE Volume: 32 Issue: 3 Pp.: 779-788

The primary objective of the study is investigation of the association between trace elements status and hemostasis, lipid spectrum and inflammatory markers in acute ischemic stroke (AIS). A total of 30 men suffering from AIS and 30 healthy controls were involved in the current survey. Blood count, serum lipid spectrum, complement components C4 and C3a, vascular endothelial growth factor (VEGF), S100B protein, NR2 antibodies (NR2Ab), and total antioxidant status (TAS), as well as plasma fibrinogen, and D-dimer levels and activated partial thromboplastin time (APTT) were assessed. Serum trace elements were analyzed using inductively coupled plasma mass spectrometry. AIS patients were characterized by significantly increased fibrinogen, D-dimer, TG, C3a, C4, NR2Ab, and VEGF levels. The leukocyte count, erythrocyte sedimentation rate and serum atherogenic index were also increased in stroke patients. Oppositely, TAS and APTT values, bleeding and blood coagulation time were decreased. AIS patients were characterized by significantly decreased serum Fe and Co concentrations, whereas the level of Cu, I, Li, Mn, Se, Zn, As, Pb, Ni, and especially V and B in serum was significantly increased. Serum V and B tightly correlated with the procoagulant state and inflammatory markers. Multiple regression analysis revealed a significant inverse association between serum Se levels and stroke markers after adjustment for covariates. Therefore, it is hypothesized that elements like vanadium and boron may be closely involved in stroke pathogenesis by modulation of hemostasis and inflammation, whereas the observed increase in Se levels may be considered as a compensatory reaction.


6)      Tracking of Lines in Spherical Images via Sub-Riemannian Geodesics

Author: Mashtakov, A.; Duits, R.; Sachkov, Yu.; and others.


In order to detect salient lines in spherical images, we consider the problem of minimizing the functional for a curve on a sphere with fixed boundary points and directions. The total length l is free, s denotes the spherical arclength, and denotes the geodesic curvature of . Here the smooth external cost is obtained from spherical data. We lift this problem to the sub-Riemannian (SR) problem in Lie group and show that the spherical projection of certain SR geodesics provides a solution to our curve optimization problem. In fact, this holds only for the geodesics whose spherical projection does not exhibit a cusp. The problem is a spherical extension of a well-known contour perception model, where we extend the model by Boscain and Rossi to the general case . For , we derive SR geodesics and evaluate the first cusp time. We show that these curves have a simpler expression when they are parameterized by spherical arclength rather than by sub-Riemannian arclength. For case (data-driven SR geodesics), we solve via a SR Fast Marching method. Finally, we show an experiment of vessel tracking in a spherical image of the retina and study the effect of including the spherical geometry in analysis of vessels curvature.


7)      DNA and BSA binding and cytotoxic properties of copper(II) and iron(III) complexes with arylhydrazone of ethyl 2-cyanoacetate or formazan ligands

Author: Martins, Nuno M. R.; Anbu, Sellamuthu; Mahmudov, Kamran T.; and others.

(Q1) NEW JOURNAL OF CHEMISTRY Volume: 41 Issue: 10 Pp.: 4076-4086

Several known water soluble [Cu(1 kappa N,O-2:2 kappa O-HL1)(S)](2) [S = CH3OH (1), (CH3)(2)NCHO (2)] and [Cu(kappa N-HL1)(en)(2)]center dot CH3OH center dot H2O (3) Cu-II complexes were prepared by reaction of Cu-II nitrate hydrate with the new (E/Z)-4-(2-(1-cyano-2-ethoxy-2-oxoethylidene)hydrazinyl)-3-hydroxybenzoic acid (H3L1), in the presence (for 3) or absence (for 1 and 2) of ethylenediamine (en), while the Fe-III complex [Fe(kappa N-3-HL2)(2)] (4) was synthesized by treatment of iron(III) chloride hexahydrate with the new (1E,1E)-N',2-di(1H-1,2,4-triazol-3-yl)diazenecarbohydrazonoyl cyanide (H3L2). The interaction of calf thymus DNA (CT DNA) and bovine serum albumin (BSA protein) with complexes 1-4 has been investigated by absorption and fluorescence titration methods. The observed DNA binding constants, number of DNA binding sites (s <= 1) for the complexes and viscosity data suggest the intercalative mode of binding to CT DNA. All the complexes show good binding propensity to the BSA protein, giving K-BSA values of 0.97(+/- 0.10) x 10(6) (1), 1.19(+/- 0.09) x 10(6) (2), 0.50(+/- 0.01) x 10(6) (3) and 1.06(+/- 0.08) x 10(6) M-1 (4). An in vitro anti-proliferative study establishes the anticancer potency of complexes 1-4 and cisplatin against the human cervical (HeLa) and breast (MCF7) cancer cell lines; noncancer breast epithelial (MCF10) cells were also investigated. The observed IC50 values of complexes 1 (8.3, 11.9 and 44.8 mu M), 2 (7.0, 7.1 and 35.6 mu M), 3 (18.1, 20.4 and 58.8 mu M), 4 (13.2, 15.1 and 79.4 mu M) and cisplatin (4.02, 3.42 and 89.5 mu M) against the HeLa, MCF7 and MCF-10a cells, respectively, suggest that 2 can be explored further as a potential anticancer drug.


8)      Copper-Catalyzed Multicomponent Reactions: Synthesis of Fused 1,2,3-Triazolo-1,3,6-triazonines

Author: Peringer, Fernando; do Nascimento, Jose Edmilson R.; Abib, Paola B.; and others.


We describe our results on the synthesis of fused 1,2,3-triazolo-1,3,6-triazonines through a copper-catalyzed multicomponent reaction. The products were obtained in moderate to excellent yields by the reaction of 2-azidobenzaldehydes, substituted diaminobenzenes and a range of terminal alkynes in the presence of a catalytic amount of copper iodide, with Et3N as base, in DMSO at 100 degrees C. This method proved to be efficient for the combinatorial synthesis of new medium-sized N-heterocyclic rings with potential applications in biological studies.


9)      Self-assembled fractal hybrid dendrites from water-soluble anionic (thia)calix[4] arenes and Ag+

Author: Yakimova, Luidmila S.; Gilmanova, Leysan H.; Evtugyn, Vladimir G.; and others.


Novel water-soluble anionic p-tert-butylthiacalix[4]arene with propanesulfonate fragments has been synthesized. Alkylation of the lower rim of thiacalix[4]arene in the presence of NaH/THF led to cone conformation instead of the expected 1,3-alternate conformer due to metal template effect. The presence of supramolecular associates at the critical micelle concentration of 1.65.10(-5) M were investigated in aqueous solutions by a combination of different techniques (DLS and conductivity). It was observed that the macrocyclic platform decreases the CMC by tenfold as compared with non-macrocycle analogs. A simple approach for the design of stable monodisperse Ag-based nanoaggregates (near 95 nm) containing ionic Ag and organic ligand-thiacalix[4]arene sulfo derivative in water has been developed. Self-assembled fractal hybrid nanodendrites consisting of water-soluble anionic (thia)calix[4]arenes and Ag+ have been obtained in a single step under mild conditions.


10)  Route Satellite Constellations for Earth Discontinuous Coverage and Optimal Solution Peculiarities

Author: Razoumny, Yury N.

(Q1) JOURNAL OF SPACECRAFT AND ROCKETS Volume: 54 Issue: 3 Pp.: 572-581

The way to solve the problem of satellite constellation design was outlined in the 1960s, recognizing the importance of satellite coverage (continuous or periodic) function and allowing interpretation of the operation of different types of space systems. Due to the fact that Earth periodic coverage optimization is extremely complex, for many years, the solutions of this problem have been searched for among a priori fixed constellation types successfully implemented before for continuous coverage, with continuous coverage seeming to be much easier than periodic coverage. In this study, it is shown that the technological advance in satellite constellation design for periodic coverage could be achieved by considering it as a unique and separate problem. The introduction in the route theory for satellite constellation design for Earth periodic coverage that aims at creating methods for optimization of arbitrary constellations, which is an alternative to the traditional approach that considers narrow classes of constellations to be analyzed, is described. The so-called route constellation is presented as a mathematical abstraction for approximation of arbitrary satellite constellation. The theory elements of the optimization procedure in the infinite domain of route constellations are introduced. Previously unknown regularities in Earth periodic coverage and in localization of optimal low-Earth-orbit satellite constellation parameters are presented and illustrated.


11)  Influence of geomagnetic activity and earth weather changes on heart rate and blood pressure in young and healthy population

Author: Ozheredov, V. A.; Chibisov, S. M.; Blagonravov, M. L.; and others.


There are many references in the literature related to connection between the space weather and the state of human organism. The search of external factors influence on humans is a multi-factor problem and it is well known that humans have a meteo-sensitivity. A direct problem of finding the earth weather conditions, under which the space weather manifests itself most strongly, is discussed in the present work for the first time in the helio-biology. From a formal point of view, this problem requires identification of subset (magnetobiotropic region) in three-dimensional earth's weather parameters such as pressure, temperature, and humidity, corresponding to the days when the human body is the most sensitive to changes in the geomagnetic field variations and when it reacts by statistically significant increase (or decrease) of a particular physiological parameter. This formulation defines the optimization of the problem, and the solution of the latter is not possible without the involvement of powerful metaheuristic methods of searching. Using the algorithm of differential evolution, we prove the existence of magnetobiotropic regions in the earth's weather parameters, which exhibit magneto-sensitivity of systolic, diastolic blood pressure, and heart rate of healthy young subjects for three weather areas (combinations of atmospheric temperature, pressure, and humidity). The maximum value of the correlation confidence for the measurements attributable to the days of the weather conditions that fall into each of three magnetobiotropic areas is an order of 0.006, that is almost 10 times less than the confidence, equal to 0.05, accepted in many helio-biological researches.


12)  Synthesis and crystal structures of three new lead(II) isonicotinoylhydrazone derivatives: Anion controlled nuclearity and dimensionality

Author: Mahmoudi, Ghodrat; Dey, Lingaraj; Chowdhury, Habibar; and others.

(Q2) INORGANICA CHIMICA ACTA Volume: 461 Pp.: 192-205

Treatment of lead(II)acetate, Pb(CH3COO)(2) center dot 3H(2)O, with an isonicotinoylhydrazone building block (HL) and in the presence of two different salts (NaN3 or NaClO4)as a source of auxiliary ligand, resulted in two novel coordination compounds, namely a discrete 0D complex [Pb-4(mu(3)-L)(L)(mu-N-3)(N-3)][Pb(L)(N-3) (MeOH)] Alpha center dot 0.75MeOH (1)and a 2D coordination polymer [Pb(mu-L)(mu-CH3COO)Na(mu-ClO4)(MeOH)](n) (2), respectively. A related reaction of Pb(NO3)(2) with HL afforded a different product [Pb(mu-L)(NO3](n) (3), which is a 1D coordination polymer. All compounds were isolated in good yields as air-stable solids and were fully characterized by elemental analysis, FTIR spectroscopy, single crystal X-ray diffraction, topological analysis, and theoretical calculations. An interesting feature of all structures 1-3 concerns the hemi-directional coordination of Pb(II)atoms and the observation of tetrel bonds [noncovalent Pb center dot center dot center dot N/O interactions], which were analyzed in detail by DFT calculations and Hirshfeld surface analysis. In fact, tetrel bonding interactions are responsible for the extension [0D -> 2D (in 1)or 1D -> 2D (in 3)] or reinforcement [(2D -> 2D (in 2)] of the crystal structures, thus giving rise to intricate 2D supramolecular layers. After simplification, these layers were analyzed and classified from the topological perspective, disclosing binodal 3,5-connected underlying nets with the same 3,5L24 topology in 1 and 2 but being constructed from structurally distinct components, and a binodal 3,6-connected net with the 3,5L60 topology in 3. (C)2017 Elsevier B. V. All  .


13)  Subspace-stabilized sequential quadratic programming

Author: Izmailov, A. F.; Uskov, E. I.


The stabilized sequential quadratic programming (SQP) method has nice local convergence properties: it possesses local superlinear convergence under very mild assumptions not including any constraint qualifications. However, any attempts to globalize convergence of this method indispensably face some principal difficulties concerned with intrinsic deficiencies of the steps produced by it when relatively far from solutions; specifically, it has a tendency to produce long sequences of short steps before entering the region where its superlinear convergence shows up. In this paper, we propose a modification of the stabilized SQP method, possessing better "semi-local" behavior, and hence, more suitable for the development of practical realizations. The key features of the new method are identification of the so-called degeneracy subspace and dual stabilization along this subspace only; thus the name "subspace-stabilized SQP". We consider two versions of this method, their local convergence properties, as well as a practical procedure for approximation of the degeneracy subspace. Even though we do not consider here any specific algorithms with theoretically justified global convergence properties, subspace-stabilized SQP can be a relevant substitute for the stabilized SQP in such algorithms using the latter at the "local phase". Some numerical results demonstrate that stabilization along the degeneracy subspace is indeed crucially important for success of dual stabilization methods.


14)  Serum Trace Elements and Electrolytes Are Associated with Fasting Plasma Glucose and HbA(1c) in Postmenopausal Women with Type 2 Diabetes Mellitus

Author: Skalnaya, Margarita G.; Skalny, Anatoly V.; Yurasov, Vasily V.; and others.

(Q2) BIOLOGICAL TRACE ELEMENT RESEARCH Volume: 177 Issue: 1 Pp.: 25-32

The primary aim of the research was to assess the level of trace elements and electrolytes in serum of postmenopausal diabetic women. Sixty-four postmenopausal women with type 2 diabetes mellitus (DM2) and 64 age-and body mass index-matched controls were examined. Serum trace elements were assessed using inductively coupled plasma dynamic reaction cell mass spectrometry (ICP-DRC-MS). Fasting plasma glucose (FPG) and glycated hemoglobin (HbA(1c)) levels were evaluated using Randox kits. The obtained data demonstrate that DM2 patients were characterized by 42 and 34 % higher FPG and HbA(1c) levels, respectively (p < 0.001). The level of Cu and Se in diabetic postmenopausal women was increased by 10 and 15 % in comparison to the respective control values (p = 0.002 and < 0.001). Serum Mn, Zn, and Ni concentrations were lower than the control ones by 32 % (p = 0.003), 8 % (p = 0.003), and 23 % (p = 0.046), respectively. FPG and HbA(1c) levels directly correlated with serum Se (p < 0.001) and Cu (p = 0.014 and p = 0.028) concentrations and inversely related to Zn (p < 0.001) and Tl (p = 0.023 and p = 0.029) levels. Multiple regression analysis demonstrated a significant association between serum Zn and Se and FPG and HbA(1c) levels. It is proposed that Zn and Se play an important role in DM2 pathogenesis. Further studies are required to assess the intimate mechanisms of the observed differences.


15)  High-resolution spectroscopy and spectropolarimetry of selected delta Sct pulsating variables

Author: Joshi, Santosh; Semenko, Eugene; Moiseeva, A.; and others.


The combination of photometry, spectroscopy and spectropolarimetry of the chemically peculiar stars often aims to study the complex physical phenomena such as stellar pulsation, chemical inhomogeneity, magnetic field and their interplay with stellar atmosphere and circumstellar environment. The prime objective of this study is to determine the atmospheric parameters of a set of Am stars to understand their evolutionary status. Atmospheric abundances and basic parameters are determined using full spectrum fitting technique by comparing the high-resolution spectra to the synthetic spectra. To know the evolutionary status, we derive the effective temperature and luminosity from different methods and compare them with the literature. The location of these stars in the Hertzsprung-Russell diagram demonstrates that all the sample stars are evolved from the zero-age main sequence towards terminal-age main sequence and occupy the region of delta Sct instability strip. The abundance analysis shows that the light elements e.g. Ca and Sc are underabundant while iron peak elements such as Ba, Ce, etc. are overabundant and these chemical properties are typical for Am stars. The results obtained from the spectropolarimetric analysis of our studied stars show that the longitudinal magnetic field is negligible in all of them, which further support to their Am class of peculiarity.


16)  A stable compound of helium and sodium at high pressure

Author: Dong, Xiao; Oganov, Artem R.; Goncharov, Alexander F.; and others.

(Q1) NATURE CHEMISTRY Volume: 9 Issue: 5 Pp.: 440-445 

Helium is generally understood to be chemically inert and this is due to its extremely stable closed-shell electronic configuration, zero electron affinity and an unsurpassed ionization potential. It is not known to form thermodynamically stable compounds, except a few inclusion compounds. Here, using the ab initio evolutionary algorithm USPEX and subsequent high-pressure synthesis in a diamond anvil cell, we report the discovery of a thermodynamically stable compound of helium and sodium, Na2He, which has a fluorite-type structure and is stable at pressures >113 GPa. We show that the presence of He atoms causes strong electron localization and makes this material insulating. This phase is an electride, with electron pairs localized in interstices, forming eight-centre two-electron bonds within empty Na-8 cubes. We also predict the existence of Na2HeO with a similar structure at pressures above 15 GPa.


17)  Neuropsychological Testing and Machine Learning Distinguish Alzheimer's Disease from Other Causes for Cognitive Impairment

Author: Gurevich, Pavel; Stuke, Hannes; Kastrup, Andreas; and others.


With promising results in recent treatment trials for Alzheimer's disease (AD), it becomes increasingly important to distinguish AD at early stages from other causes for cognitive impairment. However, existing diagnostic methods are either invasive (lumbar punctures, PET) or inaccurate Magnetic Resonance Imaging (MRI). This study investigates the potential of neuropsychological testing (NPT) to specifically identify those patients with possible AD among a sample of 158 patients with Mild Cognitive Impairment (MCI) or dementia for various causes. Patients were divided into an early stage and a late stage group according to their Mini Mental State Examination (MMSE) score and labeled as AD or non-AD patients based on a post-mortem validated threshold of the ratio between total tau and beta amyloid in the cerebrospinal fluid (CSF; Total tau/Ab (1-42) ratio, TB ratio). All patients completed the established Consortium to Establish a Registry for Alzheimer's Disease-Neuropsychological Assessment Battery (CERAD-NAB) test battery and two additional newly-developed neuropsychological tests (recollection and verbal comprehension) that aimed at carving out specific Alzheimer-typical deficits. Based on these test results, an underlying AD (pathologically increased TB ratio) was predicted with a machine learning algorithm. To this end, the algorithm was trained in each case on all patients except the one to predict (leave-one-out validation). In the total group, 82% of the patients could be correctly identified as AD or non-AD. In the early group with small general cognitive impairment, classification accuracy was increased to 89%. NPT thus seems to be capable of discriminating between AD patients and patients with cognitive impairment due to other neurodegenerative or vascular causes with a high accuracy, and may be used for screening in clinical routine and drug studies, especially in the early course of this disease.


18)  Hypervalent Iodine(III)-Mediated Cascade Cyclization of Propargylguanidines and Total Syntheses of Kealiinine B and C

Author: Tian, Guilong; Fedoseev, Pavel; van der Eycken, Erik V.

(Q1) CHEMISTRY-A EUROPEAN JOURNAL Volume: 23 Issue: 22 Pp.: 5224-5227

An oxidative cascade cyclization of propargylguanidines promoted by phenyliodonium diacetate (PIDA) was developed. The protocol provides an efficient route for the synthesis of the alkaloids kealiinines B and C as well as homologues. The difference in the electronic nature of the acetylene substituent resulted in two ways of the cyclization. A plausible mechanism is proposed based on the experimental results.


19)  Ammonia Borane Dehydrogenation Catalyzed by (kappa(4)-EP3)Co(H) [EP3 = E(CH2CH2PPh2)(3); E = N, P] and H-2 Evolution from Their Interaction with NH Acids

Author: Todisco, Stefano; Luconi, Lapo; Giambastiani, Giuliano; and others.

(Q1) INORGANIC CHEMISTRY Volume: 56 Issue: 8 Pp.: 4296-4307

Two Co(I) hydrides containing the tripodal polyphosphine ligand EP3, (kappa(4)-EP3)Co(H) [E(CH2CH2PPh2)(3); E = N (1), P (2)], have been exploited as ammonia borane (NH3BH3, AB) dehydrogenation catalysts in THE solution at T = 55 degrees C. The reaction has been analyzed experimentally through multinuclear (B-11, P-31{H-1}, H-1) NMR and IR spectroscopy, kinetic rate measurements, and kinetic isotope effect (KIE) determination with deuterated AB isotopologues. Both complexes are active in AB dehydrogenation, albeit with different rates and efficiency. While 1 releases 2 equiv of H-2 per equivalent of AB in ca. 48 h, with concomitant borazine formation as the final "spent fuel", 2 produces 1 equiv of H-2 only per equivalent of AB in the same reaction time, along with long-chain poly(aminoboranes) as insoluble byproducts. A DFT modeling of the first AB dehydrogenation step has been performed, at the M06//6-311++G** level of theory. The combination of the kinetic and computational data reveals that a simultaneous B-H/N-H activation occurs in the presence of 1, after a preliminary AB coordination to the metal center. In 2, no substrate coordination takes place, and the process is better defined as a sequential BH3/NH3 insertion process on the initially formed [Co]-NH2BH3 amidoborane complex. Finally, the reaction of 1 and 2 with NH-acids [AB and Me2NHBH3 (DMAB)] has been followed via VT-FTIR spectroscopy (in the -80 to +50 degrees C temperature range), with the aim of gaining a deeper experimental understanding of the dihydrogen bonding interactions that are at the origin of the observed H-2 evolution.

20)  Soil carbon 4 per mille

Author: Minasny, Budiman; Malone, Brendan P.; McBratney, Alex B.; and others.

(Q1) GEODERMA Volume: 292 Pp.: 59-86 

The '4 per mille Soils for Food Security and Climate' was launched at the COP21 with an aspiration to increase global soil organic matter stocks by 4 per 1000 (or 0.4 %) per year as a compensation for the global emissions of greenhouse gases by anthropogenic sources. This paper surveyed the soil organic carbon (SOC) stock estimates and sequestration potentials from 20 regions in the world (New Zealand, Chile, South Africa, Australia, Tanzania, Indonesia, Kenya, Nigeria, India, China Taiwan, South Korea, China Mainland, United States of America, France, Canada, Belgium, England & Wales, Ireland, Scotland, and Russia). We asked whether the 4 per mille initiative is feasible for the region. The outcomes highlight region specific efforts and scopes for soil carbon sequestration. Reported soil C sequestration rates globally show that under best management practices, 4 per mille or even higher sequestration rates can be accomplished. High C sequestration rates (up to 10 per mille) can be achieved for soils with low initial SOC stock (topsoil less than 30 t C ha(-1)), and at the first twenty years after implementation of best management practices. In addition, areas which have reached equilibrium will not be able to further increase their sequestration. We found that most studies on SOC sequestration only consider topsoil (up to 0.3 m depth), as it is considered to be most affected by management techniques. The 4 per mille number was based on a blanket calculation of the whole global soil profile C stock, however the potential to increase SOC is mostly on managed agricultural lands. If we consider 4 per mille in the top 1m of global agricultural soils, SOC sequestration is between 2-3 Gt C year(-1) which effectively offset 20-35% of global anthropogenic greenhouse gas emissions. As a strategy for climate change mitigation, soil carbon sequestration buys time over the next ten to twenty years while other effective sequestration and low carbon technologies become viable. The challenge for croppihg farmers is to find disruptive technologies that will further improve soil condition and deliver increased soil carbon. Progress in 4 per mille requires collaboration and communication between scientists, farmers, policy makers, and marketeers. (C) 2017 The Authors. Published by Elsevier B.V.


21)  Copper (II) complexes with carboxylic- or sulfonic-functionalized arylhydrazones of acetoacetanilide and their application in cyanosilylation of aldehydes

Author: Gurbanov, Atash V.; Mahmudov, Kamran T.; Sutradhar, Manas; and others.


The new copper(II) complexes [Cu(HL1)(H2O)(CH3OH)] (1, H3L1 = (Z)-2-(2-(1,3-dioxo-1-(phenylamino)butan-2-ylidene)hydrazinyl)benzoic acid) and [Cu(HL2)(H2O)(CH3OH)] (2, NaH2L2 = sodium (Z)-2-(2-(1,3-dioxo-1-(phenylamino)butan-2-ylidene) hydrazinyl)benzenesulfonate) were synthesized and characterized by IR and ESI-MS spectroscopies, elemental and X-ray crystal structural analyses. The coordination environment of the central copper(II) has a square pyramidal geometry, three sites being occupied by (HL1,2)(2-), which chelates in the O,N,O fashion, while the two other sites are filled with the water and methanol ligands. Multiple intra-and intermolecular non-covalent interactions between the (HL1,2)(2-), water and methanol ligands lead to supramolecular network. Both compounds 1 and 2 act as homogenous catalysts for the cyanosilylation reaction of a variety of both aromatic and aliphatic aldehydes with trimethylsilyl cyanide affording the corresponding cyanohydrin trimethylsilyl ethers in high yields (up to 90%) and at room temperature. (C) 2017 Elsevier B.V. All  .


22)  Riesz potential and its commutators on Orlicz spaces

Author: Guliyev, Vagif S.; Deringoz, Fatih; Hasanov, Sabir G.


In the present paper, we shall give necessary and sufficient conditions for the strong and weak boundedness of the Riesz potential operator I-alpha on Orlicz spaces. Cianchi (J. Lond. Math. Soc. 60(1): 247-286, 2011) found necessary and sufficient conditions on general Young functions Phi and Psi ensuring that this operator is of weak or strong type from L-Phi into L-Psi. Our characterizations for the boundedness of the above-mentioned operator are different from the ones in (Cianchi in J. Lond. Math. Soc. 60(1): 247-286, 2011). As an application of these results, we consider the boundedness of the commutators of Riesz potential operator [b,I-alpha] on Orlicz spaces when b belongs to the BMO and Lipschitz spaces, respectively.


23)  Eight-membered-ring diaminocarbenes bearing naphthalene moiety in the backbone: DFT studies, synthesis of amidinium salts, generation of free carbene, metal complexes, and solvent-free copper catalyzed azide-alkyne cycloaddition (CuAAC) reaction

Author: Chesnokov, Gleb A.; Topchiy, Maxim A.; Dzhevakov, Pavel B.; and others.

(Q1) DALTON TRANSACTIONS Volume: 46 Issue: 13 Pp.: 4331-4345

A new type of eight-membered ring N-heterocyclic carbene (NHC) bearing a rigid naphthalene moiety in the backbone is reported for the first time. Stereoelectronic properties of 4,5-dihydro-1H-naphtho [1,8-ef][1,3]diazocin-3(2H)-ylidene (NaphtDHD) and smaller ring NHCs were theoretically studied at the DFT level. Amidinium salts were prepared from corresponding amidines and dibromides. Free carbene NaphtDHD-Dipp (Dipp = 2,6-diisopropylphenyl) was generated in solution by treatment of the corresponding salt with LiHMDS. It is stable in solution at low temperatures, while decomposing rapidly at room temperature. Silver(I) and copper(I) complexes were synthesized and structurally characterized in the solid state. The copper(I) complex [(NaphtDHD-Mes) CuBr] (Mes = mesityl, 2,4,6-trimethylphenyl) exhibits high catalytic activity in alkyne-azide cycloaddition (CuAAC) reaction under solvent-free conditions.


24)  Unusual Tri-, Hexa-, and Nonanuclear Cu(II) Cage Methylsilsesquioxanes: Synthesis, Structures, and Catalytic Activity in Oxidations with Peroxides

Author: Bilyachenko, Alexey N.; Kulakova, Alena N.; Levitsky, Mikhail M.; and others.

(Q1) INORGANIC CHEMISTRY Volume: 56 Issue: 7 Pp.: 4093-4103 

Three types of unusual cagelike copper(II) methylsilsesquioxanes, namely, nona- [(MeSiO1.5)(18)(CuO)(9)] 1, hexa- [(MeSiO1.5)(10)(HO0.5)(2)(CuO)(6)(C-12,H8N2)(2)-(MeSiO1.5)(10)(HO0.5)(1.33)(CH3COO0.5)(0.67)(CuO)(6)(Ci(2)H(8)N(2))(2)] 2, (MeSiO1.5)(10)(CuO)(6)(MeO0.5)(2)(C10H8N2)(2)] 3, and trinuclear [(MeSiO1.5)(8)(CUO)(3)(C10H8N2)(2)], 4, were obtained in 44%, 27%, 20%, and 16% yields, respectively. Nuclearity and Structural fashion of products was controlled by the choice of solvent system and ligand, specifically assisting the assembling of cage. Structures of 1-4 were determined by single-crystal X-ray diffraction analysis. Compounds 1 and 4 are the first cage metallasilsesquioxanes, containing nine and three Cu ions, respectively. Product I is the first observation of nonanuclear metallasilsesquioxane ever. Unique architecture of 4 represents early unknown type of molecular geometry, based on,condensed pentamembered siloxane cycles: Topological analysis of metal dusters in products. 1-4 is provided. Complex 1 efficiently catalyzes oxidation of alcohols with tert-butylhydropermade TBHP to ketones or alkanes with H2O2 to alkyl hydroperoxides in acetonitrile.


25)  Unusual regioselectivity of C-1-C-70(CF3)(10) in the Diels-Alder reaction

Author: Nekrasov, Viktor M.; Dutlov, Andrey E.; Trubitsyn, Mikhail G.; and others.


The Diels-Alder reaction of C-1-C-70(CF3)(10) and butadiene sulfone yielded 82 mol% from starting material of single C-70(CF3)(10)C4H6 regioisomer. The optimization of the synthesis conditions C-70(CF3)(10)C4H6: varied concentration and ratio of reagents, synthesis time. The new compound was characterized by using H-1, 1D and 2D F-19 NMR; IR and UV-vis spectroscopy; electro-spray ionization mass spectrometry and DFT calculations. (C) 2016 Elsevier B.V. All  .


26)  Changes of soil organic carbon stocks and CO2 emissions at the early stages of urban turf grasses' development

Author: Shchepeleva, A. S.; Vasenev, V. I.; Mazirov, I. M.; and others.

(Q1) URBAN ECOSYSTEMS Volume: 20 Issue: 2 Pp.: 309-321

Urbanization coincides with remarkable expansion of turf grasses and their increasing role in environmental processes and functions, including carbon (C) sequestration. Soil organic carbon (SOC) stocks in turf grass soils are substantial, however, an intensive soil respiration is also likely. Therefore C sequestration in turf grasses remains uncertain, especially at the early stages after development, when C uptake and CO2 emissions are unbalanced. We analyzed changes in SOC stocks and CO2 emissions at the experimental turf grasses in Moscow megapolis during the three years period after establishment. An influence of the three contrast depths of organic layers (5, 10 and 20 cm) on soil and biomass C and on the ornamental functions of turf grasses was studied. Total CO2 emission from the turf grasses during the observation period exceeded C uptake in grass and root biomass by two to three times. Therefore the turf grasses at the early stages of development are important source of biogenic C. Although the C losses were substantial, CO2 emission decreased and C uptake in biomass increased by the end of the observation period. The highest ratio of sequestered and emitted C was obtained for the thick turf grass soil constructions with a 20 cm organic layer. The highest ornamental value, indicated by the projective cover and sprout density, was also obtained for the thick turf grasses, which is essential to consider for developing the best management practices and sustainable turf grass soil constructions.


27)  On associate spaces of weighted Sobolev space on the real line

Author: Prokhorov, Dmitrii V.; Stepanov, Vladimir D.; Ushakova, Elena P.

(Q1) MATHEMATISCHE NACHRICHTEN Volume: 290 Issue: 5-6 Pp.: 890-912

Precise descriptions of the spaces associated with weighted Sobolev spaces on the real line are given. (C) 2016 WILEY-VCH Verlag GmbH & Xo. KGaA, Weinheim.


28)  Disturbance observer-based fuzzy control for flexible spacecraft combined attitude & sun tracking system

Author: Chak, Yew-Chung; Varatharajoo, Renuganth; Razoumny, Yury

(Q2) ACTA ASTRONAUTICA Volume: 133 Pp.: 302-310

This paper investigates the combined attitude and sun-tracking control problem in the presence of external disturbances and internal disturbances, caused by flexible appendages. A new method based on Pythagorean trigonometric identity is proposed to drive the solar arrays. Using the control input and attitude output, a disturbance observer is developed to estimate the lumped disturbances consisting of the external and internal disturbances, and then compensated by the disturbance observer-based controller via a feed-forward control. The stability analysis demonstrates that the desired attitude trajectories are followed even in the presence of external disturbance and internal flexible modes. The main features of the proposed control scheme are that it can be designed separately and incorporated into the baseline controller to form the observer-based control system, and the combined attitude and sun-tracking control is achieved without the conventional attitude actuators. The attitude and sun-tracking performance using the proposed strategy is evaluated and validated through numerical simulations. The proposed control solution can serve as a fail-safe measure in case of failure of the conventional attitude actuator, which triggered by automatic reconfiguration of the attitude control components.


29)  An approximation solvability method for nonlocal differential problems in Hilbert spaces

Author: Benedetti, Irene; Nguyen Van Loi; Malaguti, Luisa; and others.


A new approach is developed for the solvability of nonlocal problems in Hilbert spaces associated to nonlinear differential equations. It is based on a joint combination of the degree theory with the approximation solvability method and the bounding functions technique. No compactness or condensivity condition on the nonlinearities is assumed. Some applications of the abstract result to the study of nonlocal problems for integro-differential equations and systems of integro-differential equations are then showed. A generalization of the result by using nonsmooth bounding functions is given.


30)  Plasma methionine depletion and pharmacokinetic properties in mice of methionine gamma-lyase from Citrobacter freundii, Clostridium tetani and Clostridium sporogenes

Author: Morozova, E. A.; Anufrieva, N. V.; Davydov, D. Zh.; and others.

(Q2) BIOMEDICINE & PHARMACOTHERAPY Volume: 88 Pp.: 978-984

PK studies were carried out after a single i.v. administration of 500 and 1000 U/kg by measuring of MGL activity in plasma samples. L-methionine concentration was measured by mass spectrometry. After single i.v. injection of 500 U/kg the circulating T-1/2 of enzymes in mice varies from 73 to 123 min. The AUC(0-tinf) values determined for MGL 500 U/kg from C. freundii, C. tetani and C. sporogenes are 8.21 +/- 0.28, 9.04 +/- 0.33 and 13.88 +/- 0.39 U/(ml x h), respectively. Comparison of PK parameters of three MGL sources in the dose of 500 U/kg indicated the MGL C. sporogenes to have better PK parameters: clearance 0.83(95% CI: 0.779-0.871) - was lower than C. tetanii 1.27(95% CI: 1.18-1.36) and C. freundii 1.39(95% CI: 1.30-1.49). Mice plasma methionine decreased to undetectable level 10 min after MGL 1000 U/kg injection. After MGL C. sporogenes 500 U/kg injection plasma methionine level completely omitted after 10 min till 6 h, assuming the sustainability of negligible levels of methionine (<5 mu M) in plasma of mice for about 6 h. The recovery of methionine concentration showed the advantageous efficiency of MGL from C. sporogenes: 95% 0.010-0.022 vs 0.023-0.061 for MGL C. freundii and 0.036-0.056 for MGL C. tetani. There are no significant differences between methionine cleavage after MGL C. tetani and MGL C. sporogenes i.v. injection at all doses. MGL from C. sporogenes may be considered as promising enzyme for further investigation as potential anticancer agent. (C) 2017 Elsevier Masson SAS. All  .


31)  Regio- and stereoselective [2+2] photocycloaddition in Ba2+ templated supramolecular dimers of styryl-derivatized aza-heterocycles

Author: Berdnikova, Daria V.; Aliyeu, Tseimur M.; Delbaere, Stephanie; and others.

(Q1) DYES AND PIGMENTS Volume: 139 Pp.: 397-402

The regio- and stereoselective [2+2] photocycloaddition of 15-crown-5-containing styrylheterocycles resulting in formation of only one cyclobutane isomer out of eleven possible is described. It was shown that the cycloaddition takes place solely in the case of the supramolecular preorganization of the reactive molecules provided by both pi-pi stacking interaction of the heterocyclic fragments and sandwich-type coordination of the crown ether residues by the barium cation. The results point out the importance of the supramolecular approach for the synthesis of cyclobutane derivatives with desired structure and conformation. (C) 2016 Elsevier Ltd. All  .


32)  Turbulent compressible fluid: Renormalization group analysis, scaling regimes, and anomalous scaling of advected scalar fields

Author: Antonov, N. V.; Gulitskiy, N. M.; Kostenko, M. M.; and others.

(Q1)PHYSICAL REVIEW E Volume: 95 Issue: 3

We study a model of fully developed turbulence of a compressible fluid, based on the stochastic Navier-Stokes equation, by means of the field-theoretic renormalization group. In this approach, scaling properties are related to the fixed points of the renormalization group equations. Previous analysis of this model near the real-world space dimension 3 identified a scaling regime [N. V. Antonov et al., Theor. Math. Phys. 110, 305 (1997)]. The aim of the present paper is to explore the existence of additional regimes, which could not be found using the direct perturbative approach of the previous work, and to analyze the crossover between different regimes. It seems possible to determine them near the special value of space dimension 4 in the framework of double y and epsilon expansion, where y is the exponent associated with the random force and epsilon = 4 - d is the deviation from the space dimension 4. Our calculations show that there exists an additional fixed point that governs scaling behavior. Turbulent advection of a passive scalar (density) field by this velocity ensemble is considered as well. We demonstrate that various correlation functions of the scalar field exhibit anomalous scaling behavior in the inertial-convective range. The corresponding anomalous exponents, identified as scaling dimensions of certain composite fields, can be systematically calculated as a series in y and epsilon. All calculations are performed in the leading one-loop approximation.


33)  Dilatonic dyon-like black hole solutions in the model with two Abelian gauge fields

Author: Abishev, M. E.; Boshkayev, K. A.; Ivashchuk, V. D.


Dilatonic black hole dyon-like solutions in the gravitational 4d model with a scalar field, two 2-forms, two dilatonic coupling constants lambda(i) not equal 0, i = 1, 2, obeying lambda(1) not equal -lambda(2) and the sign parameter epsilon = +/- 1 for scalar field kinetic term are considered. Here epsilon = -1 corresponds to a ghost scalar field. These solutions are defined up to solutions of two master equations for two moduli functions, when lambda(2)(i) not equal 1/2 for epsilon = -1. Some physical parameters of the solutions are obtained: gravitational mass, scalar charge, Hawking temperature, black hole area entropy and parametrized post-Newtonian (PPN) parameters beta and gamma. The PPN parameters do not depend on the couplings lambda(i) and epsilon. Aset of bounds on the gravitational mass and scalar charge are found by using a certain conjecture on the parameters of solutions, when 1 + 2 lambda(2)(i) epsilon > 0, i = 1, 2.


34)  Chelate ring stacking interactions in the supramolecular assemblies of Zn(II) and Cd(II) coordination compounds: a combined experimental and theoretical study

Author: Afkhami, Farhad Akbari; Khandar, Ali Akbar; Mahmoudi, Ghodrat; and others.

(Q1) CRYSTENGCOMM Volume: 19 Issue: 10 Pp.: 1389-1399

The self-assembly of Zn(II) and Cd(II) ions with two isomeric tetradentate ligands, 2-pyridyl-isonicotinoylhydrazone (HL1) and 2-benzoylpyridyl-picolinoylhydrazone (HL2), was studied by elemental analysis, FT-IR spectroscopy and single-crystal X-ray diffraction. The reaction of zinc(II) and cadmium(II) salts with HL1 and HL2 in methanol under solvothermal conditions produced six monomer and one tetranuclear zinc(II) complexes, namely, Zn(HL1) Br-2 (1), Zn(HL1)Cl-2 (2), [Cd(HL1)(2)](NO3)(2)center dot H2O (3), Cd(HL2)Br-2(4),Zn(HL2)Cl-2 (5), Zn(HL2)Br-2 (6) and [Zn-4(L-2)(4)I-2][ZnI4]center dot 2H(2)O (7). The structure of 7 includes a cationic tetranuclear cluster of four zinc ions, four ligands, and two anions, counterbalanced by ZnI42- ions. However, the reaction of zinc(II) and cadmium(II) salts with HL1 under the same conditions produced monomer compounds. Herein, the ligand effects on the complex structures were studied. Hirshfeld surface analysis and fingerprint plots facilitate the comparison of intermolecular interactions in compounds 1-7, which are crucial in building supramolecular architectures.


35)  The effect of wind induced bottom shear stress and salinity on Zostera noltii replanting in a Mediterranean coastal lagoon

Author: Alekseenko, E.; Roux, B.; Fougere, D.; and others.


The paper concerns the wind influence on bottom shear stress and salinity levels in a Mediterranean semi -enclosed coastal lagoon (Etang de Berre), with respect to a replanting program of Zostera noltii. The MARS3D numerical model is used to analyze the 3D current, salinity and temperature distribution induced by three meteorological, oceanic and anthropogenic forcings in this lagoon. The numerical model has been carefully validated by comparison with daily observations of the vertical salinity and temperature profiles at three mooring stations, for one year. Then, two modelling scenarios are considered. The first scenario (scen.#1), starting with a homogeneous salinity of S = 20 PSU and without wind forcing, studies a stratification process under the influence of a periodic seawater inflow and a strong freshwater inflow from a hydropower plant (250 m(3)/s). Then, in the second scenario (scen.#2), we study how a strong wind of 80 km/h can mix the haline stratification obtained at the end of scen.#1. The most interesting results concern four nearshore replanting areas; two are situated on the eastern side of EB and two on the western side. The results of scen.#2 show that all these areas are subject to a downwind coastal jet. Concerning bottom salinity, the destratification process is very beneficial; it always remains greater than 12 PSU for a N -NW wind of 80 km/h and an hydropower runoff of 250 m(3)/s. Special attention is devoted to the bottom shear stress (BSS) for different values of the bottom roughness parameter (for gravels, sands and silts), and to the bottom salinity. Concerning BSS, it presents a maximum near the shoreline and decreases along transects perpendicular to the shoreline. There exists a zone, parallel to the shoreline, where BSS presents a minimum (close to zero). When comparing the BSS value at the four replanting areas with the critical value, BSS,, at which the sediment mobility would occur, we see that for the smaller roughness values (ranging from z(0) = 3.5 x 10(-4) mm, to 3.5 x 10(-2) mm) BSS largely surpasses this critical value. For a N -NW wind speed of 40 km/h (which is blowing for around 100 days per year), BSS still largely surpasses BSScr - at least for the silt sediments (ranging from z(0) = 3.5 x 10(-4) mm, to 3.5 x 10(-3) mm). This confirms the possibility that the coastal jet could generate sediment mobility which could have a negative impact for SAV replanting.


36)  The resource potential of Russian lands for crop farming

Author: Ivanov, A. L.; Savin, I. Yu.; Stolbovoy, V. S.

(Q2) DOKLADY EARTH SCIENCES Volume: 473 Issue: 1 Pp.: 346-349

Geoinformational analysis shows that the fraction of lands that are optimal for farming of the main crops in Russia is about 10% of the available land at best (for summer wheat, buckwheat). For the majority of other crop cultures, this value is a few percent at most. The available resources are used very incompletely. The index of completeness of land resource potential use is no more than 10% for the majority of crops. Only in the case of soy are the available resources almost completely involved, whereas available land resources of winter wheat, grain maize, and sunflowers are used at 20-30%.


37)  Sanctions and Import Substitution as Exemplified by the Experience of Iran and China

Author: Salitskii, A. I.; Zhao, Xin; Yurtaev, V. I.

(Q2) HERALD OF THE RUSSIAN ACADEMY OF SCIENCES Volume: 87 Issue: 2 Pp.: 205-212

The problem of the effectiveness of external sanctions as an instrument of pressure on three states that have adhered to but have abandoned the course of self-reliance is considered. The constructive base of this study is the idea of a conservative project that finds its imperative in reindustrialization. It is shown that the experience of new Russia has yielded the worst results, while China has demonstrated the best outcomes. Iran falls in between.


38)  Geodesic acoustic modes in noncircular cross section tokamaks

Author: Sorokina, E. A.; Lakhin, V. P.; Konovaltseva, L. V.; and others.

(Q2) PLASMA PHYSICS REPORTS Volume: 43 Issue: 3 Pp.: 271-279

The influence of the shape of the plasma cross section on the continuous spectrum of geodesic acoustic modes (GAMs) in a tokamak is analyzed in the framework of the MHD model. An expression for the frequency of a local GAM for a model noncircular cross section plasma equilibrium is derived. Amendments to the oscillation frequency due to the plasma elongation and triangularity and finite tokamak aspect ratio are calculated. It is shown that the main factor affecting the GAM spectrum is the plasma elongation, resulting in a significant decrease in the mode frequency.


39)  Synthesis and structure of 3,4,5-triazidopyridine-2,6-dicarbonitrile possessing the record positive heat of formation

Author: Chapyshev, Sergei V.; Korchagin, Denis V.; Chernyak, Alexander V.; and others.

(Q2) MENDELEEV COMMUNICATIONS Volume: 27 Issue: 2 Pp.: 116-118

3,4,5-Triazidopyridine-2,6-dicarbonitrile, the first aromatic triazide with three adjacent azido groups in the ring, possessing the record positive heat of formation, was synthesized by azidation of 3,4,5-trichloropyridine-2,6-dicarbonitrile and characterized with X-ray analysis, thermogravimetry, differential scanning calorimetry and spectroscopic methods.


40)  Changes in Physical Properties and Carbon Stocks of Gray Forest Soils in the Southern Part of Moscow Region during Postagrogenic Evolution

Author: Baeva, Yu. I.; Kurganova, I. N.; de Gerenyu, V. O. Lopes; and others.

(Q2) EURASIAN SOIL SCIENCE Volume: 50 Issue: 3 Pp.: 327-334

Changes in carbon stocks and physical properties of gray forest soils during their postagrogenic evolution have been studied in the succession chronosequence comprising an arable, lands abandoned 6, 15, and 30 years ago; and a secondary deciduous forest (Experimental Field Station of the Institute of Physicochemical and Biological Problems of Soil Science, Russian Academy of Sciences, Pushchino, Moscow region). It is found that carbon stocks in the upper 60-cm soil layer gain with increasing period of abandonment, from 6.17 kg C/m(2) on the arable land to 8.81 kg C/m(2) in the forest soil, which represents the final stage of postagrogenic succession. The most intensive carbon accumulation occurs in the upper layer of the former plow (0-to 10-cm) horizon. It is shown that the self-restoration of gray forest soils is accompanied by a reliable decrease of bulk density in the upper 10-cm layer from 1.31 +/- 0.01 g/cm(3) on the arable to 0.97 +/- 0.02 g/cm(3) in the forest. In the former plow horizon of the arable-abandoned land-forest succession series, the portion of macroaggregates increases from 73.6 to 88.5%; the mean weighted diameter of aggregates, by 1.6 times; and the coefficient of aggregation, by 3.8 times. Thus, the removal of lands from agricultural use results in a gradual restoration of their natural structure, improvement of soil agronomical properties, and carbon sequestration in the upper part of the soil profile.


41)  International trends in health science librarianship part 20: Russia

Author: Murphy, Jeannette; Jargin, Serge


This is the last in a series of articles exploring international trends in health science librarianship in the 21st century. The focus of the present issue is Russia. The next feature column will initiate a new series entitled New Directions in Health Science Librarianship. The first contribution will be from Australia.


42)  The role of Tb-doping on the structural and functional properties of Bi4-xTbxTi3O12 ferroelectric phases with the Aurivillius type structure

Author: Sarkar, Tapati; Ivanov, Sergey A.; Fortalnova, Elena A.; and others.


Synthesis, crystal structure, dielectric, and magnetic properties of the Aurivillius phase Bi4-xTbxTi3O12 (x = 0.0, 0.4, 0.6, 0.8) are reported. The samples were synthesized using standard solid state reaction technique. The thermal stability of the obtained solid solutions was investigated. For x ae<currency> 0.8, the samples crystallized in an orthorhombic symmetry. All the samples showed finite second harmonic generation response indicating a non-centrosymmetric structure. The structural data could be refined using the polar orthorhombic space group B2cb. The orthorhombicity decreases with an increase in the Tb3+ concentration. The orthorhombic distortions in these compositions are related to the Bi3+-based perovskite sublattice. Our results indicate that the non-lone pair Tb3+ cations preferentially occupy the perovskite sublattice initially, but with an increase in the doping concentration they can partially substitute the Bi3+ ions in the fluorite block. Temperature dependent dielectric measurements revealed a decrease in the ferroelectric Curie temperature T-C with an increase in x from T-C = 904 K (for x = 0) to 877 K (for x = 0.4). Further increase in x led to a cross-over to a relaxor-type behavior. Magnetic measurements showed that the samples are paramagnetic down to 5 K.


43)  A facile synthesis of 1-oxo-pyrrolo[2,1-a]isoquinolines

Author: Voskressensky, Leonid G.; Borisova, Tatiana N.; Matveeva, Maria D.; and others.

(Q2) TETRAHEDRON LETTERS Volume: 58 Issue: 9 Pp.: 877-879 

The facile synthesis of 1-oxo-pyrrolo[2,1-alisoquinolines from the reaction of 1-aroyl-3,4-dihydroisoquinolines and symmetrical alkynes in toluene is described. The novel compounds contain functional groups that are suitable for further modification. (C) 2017 Published by Elsevier Ltd.


44)  Molecular switching through cooperative ionic interactions and charge assisted hydrogen bonding

Author: Gurbanov, Atash V.; Mahmudov, Kamran T.; Kopylovich, Maximilian N.; and others.

(Q1)DYES AND PIGMENTS Volume: 138 Pp.: 107-111

Sodium 2-(2-(1-cyano-2-oxopropylidene)hydrazinyl)benzenesulfonate (NaHL) was synthesized by azocoupling of diazonium salt of 2-aminobenzenesulfonic acid with 3-oxobutanenitrile and characterized by and C-13 NMR spectroscopies and ESI-MS analysis. In dimethylsulfoxide-d6 solution NaHL exists as a mixture of Z- and E-hydrazone forms in the amounts of 96 and 4%, respectively. Treatment of this isomeric mixture with copper(II) nitrate hydrate in the presence of ethylenediamine (en) provides unusual (E,Z) -> E switching of NaHL to give [Cu(H2O)(2)(en)(2)](HL)(2) (1). The process is interpreted on the basis of cooperative ionic interactions and resonance assisted hydrogen bonding (RAHB) -> charge assisted hydrogen bonding (CAHB) transition. (C) 2016 Elsevier Ltd. All  .



Author: Cao, Tan H.; Mordukhovich, Boris S.


The paper concerns the study and applications of a new class of optimal control problems governed by a perturbed sweeping process of the hysteresis type with control functions acting in both play-and-stop operator and additive perturbations. Such control problems can be reduced to optimization of discontinuous and unbounded differential inclusions with point wise state constraints, which are immensely challenging in control theory and prevent employing conventional variation techniques to derive necessary optimality conditions. We develop the method of discrete approximations married with appropriate generalized differential tools of modern variational analysis to overcome principal difficulties in passing to the limit from optimality conditions for finite-difference systems. This approach leads us to nondegenerate necessary conditions for local minimizers of the controlled sweeping process expressed entirely via the problem data. Besides illustrative examples, we apply the obtained results to an optimal control problem associated with of the crowd motion model of traffic flow in a corridor, which is formulated in this paper. The derived optimality conditions allow us to develop an effective procedure to solve this problem in a general setting and completely calculate optimal solutions in particular situations.


46)  Synthesis and optical properties of new 5 '-aryl-substituted 2,5-bis(3-decyl-2,2 ''-bithiophen-5-yl)-1,3,4-oxadiazoles

Author: Kostyuchenko, Anastasia S.; Zheleznova, Tatyana Yu.; Stasyuk, Anton J.; and others.


New photoluminescent donor-acceptor-donor (DAD) molecules, namely 5'-aryl-substituted 2,5-bis(3-decyl-2,2'-bithiophen-5-yl)1,3,4- oxadiazoles were prepared by palladium-catalyzed coupling from readily available compounds such as ethyl 3-decyl-2,2'-bithiophene- 5-carboxylate and aryl halides. The obtained compounds feature increasing bathochromic shifts in their emission spectra with increasing aryl-substituent size yielding blue to bluish-green emissions. At the same time, their absorption spectra are almost independent from the identity of the terminal substituent with lambda(max) values ranging from 395 to 405 nm. The observed trends are perfectly predicted by quantum chemical DFT/TDDFT calculations carried out for these new molecules.


47)  The first one-pot ambient-temperature synthesis of 1,2,4-oxadiazoles from amidoximes and carboxylic acid esters

Author: Baykov, Sergey; Sharonova, Tatyana; Shetnev, Anton; and others.

(Q2) TETRAHEDRON Volume: 73 Issue: 7 Pp.: 945-951 

The first one-pot room-temperature protocol for the synthesis of 3,5-disubstituted-1,2,4-oxadiazoles via the condensation between amidoximes and carboxylic acid esters in superbase medium MOH/DMSO is reported. A broad spectrum of alkyl, aryl and hetaryl amidoximes and esters was examined. This reaction route provides convenient access to 1,2,4-oxadiazoles, which is highly desirable because in the light of this privileged scaffold is recognized as an important core in the design of novel therapeutic agents and high-tech materials. (C) 2017 Elsevier Ltd. All  .


48)  Stable exponential cosmological solutions with zero variation of G in the Einstein-Gauss-Bonnet model with A-term

Author: Ernazarov, K. K.; Ivashchuk, V. D.


A D-dimensional gravitational model with a Gauss-Bonnet term and the cosmological term is considered. By assuming diagonal cosmological metrics, we find, for a certain fine-tuned , a class of solutions with exponential time dependence of two scale factors, governed by two Hubble-like parameters and , corresponding to factor spaces of dimensions and , respectively, with and . Any of these solutions describes an exponential expansion of three-dimensional subspace with Hubble parameter H and zero variation of the effective gravitational constant G. We prove the stability of these solutions in a class of cosmological solutions with diagonal metrics.


49)  Reaction of Push-Pull Enaminoketones and in Situ Generated ortho-Quinone Methides: Synthesis of 3-Acyl-4H-chromenes and 2-Acy1-1H-benzo[f]chromenes as Precursors for Hydroxybenzylated Heterocycles

Author: Lukashenko, Anton V.; Osyanin, Vitaly A.; Osipov, Dmitry V.; and others.

(Q1) JOURNAL OF ORGANIC CHEMISTRY Volume: 82 Issue: 3 Pp.: 1517-1528 

A simple and efficient method for the synthesis of 4H-chromenes and 1H-benzo[f]chromenes containing a trifluoroacetyl or aroyl group in the pyran ring from o-quinone methide precursors and push pull enaminoketones has been developed. The chromenes are presumably formed through an initial oxa-Diels Alder reaction, followed by an elimination of amine. The possibility of further transformations of given chromenes to o-hydroxybenzylated pyrazoles, isoxazoles, and pyridines has been demonstrated.


50)  Transitions from Stable to Metastable States in the Cr2On and Cr2On- Series, n=1-14

Author: Gutsev, G. L.; Bozhenko, K. V.; Gutsev, L. G.; and others.

(Q1) JOURNAL OF PHYSICAL CHEMISTRY A Volume: 121 Issue: 4 Pp.: 845-854 

The geometrical and electronic structures of the Cr2On and Cr2On- clusters are computed using density functional theory with a generalized gradient approximation in the range of 1 <= n <= 14. Local total spin magnetic moments, polarizabilities, binding energies per atom, and energies of abstraction of O and O-2 are computed for both series along with electron affinities of the neutrals and vertical detachment energies of the anions. In the lowest total energies states of Cr2O2, Cr2O3, Cr2O4, Cr2O14, Cr2O3-, Cr2O4-, and Cr2O14-, total spin magnetic moments of the Cr atoms are quite large and antiferromagnetically coupled. In the rest of the series, at least one of the Cr atoms has no spin-magnetic moment at all. The computed vertical electron-detachment energies of the Cr2On- are in good agreement with experimental values obtained in the 1 <= n <= 7 range. All neutral Cr2On possess electron affinities larger than the electron affinities of halogen atoms when n > 6 and are thus superhalogens. It is found that the neutrals and anions are stable with respect to the abstraction of an O atom in the whole range of n considered, whereas both neutrals and anions became unstable toward the loss of O-2 for n > 7. The polarizability per atom decreases sharply when n moves from one to four and then remains nearly constant for larger n values in both series. The largest members in both series, Cr2O14 and Cr2O14-, possess the geometrical structures of the Cr-2(O-2)(7) type by analogy with monochromium Cr(O-2)(4).


51)  Geochemical and Lu/Hf Isotopic (LA-ICP-MS) Systematics of Detrital Zircons from the Upper Ordovician Sandstones of the Bashkir Uplift (Southern Urals)

Author: Romanyuk, T. V.; Kuznetsov, N. B.; Belousova, E. A.; and others.

(Q2) DOKLADY EARTH SCIENCES Volume: 472 Issue: 2 Pp.: 134-137

Analyses of trace elements and Lu/Hf isotopes have been carried out in already U-Pb dated detrital zircons from the Upper Ordovician sandstones of the southern part of the Bashkir Uplift. The concentrations of trace elements in the zircons suggest that they were derived from rocks of intermediate (62%), basic (24%), and felsic (9%) compositions as well as alkaline rocks (2%). The Lu/Hf systematics of the zircons demonstrated a wide variation of both epsilon(Hf) (from +9.5 to -8.7) and model ages of the parental rocks (1.60 Ga < T-DM(C) < 3.28 Ga). Comparison of the isotopic-geochemical characteristics of the detrital zircons from different levels of the Riphean-Paleozoic sequence of the Bashkir Uplift against those from the Early Cambrian Brusov Formation of the Mezen Basin and Early Neoproterozoic Dzhezhim sandstones of Timan Ridge suggests that at the end of the Late Precambrian near the Uralian margin of Baltica a large block of Late Meso-proterozoic-Early Neoproterozoic crust existed, comprising a significant proportion of melanocratic rocks.


52)  Vanadium (V) and titanium (IV) compounds with 2-[hydroxy (diaryl)methyl]-8-hydroxyquinolines: Synthesis, structure and catalytic behaviors to olefin polymerization

Author: Kolosov, Nikolay A.; Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; and others.

(Q1) EUROPEAN POLYMER JOURNAL Volume: 87 Pp.: 266-276 

A series of oxovanadium (V) and titanium (IV) complexes stabilized by [ONO](2-) type ligands-2-[hydroxy(diaryl)methyl]-8-hydroxyquinolines (2-3) were synthesized in high yields and characterized by elemental analysis, NMR-, IR spectroscopy and mass spectrometry. The molecular structures of the representative complexes 4 and 7 were confirmed by single-crystal X-ray diffraction, and revealed distorted octahedral geometry at Ti and tetragonal pyramid in V complex. Titanium-based catalytic systems were found to be active in the ethylene and 1-hexene polymerization and copolymerization, but only in the presence of a binary co-catalyst Et2AlCl/Bu2Mg. Vanadium-based systems were active in the same reactions in the presence of Et3Al2Cl3 or Et2AlCl mixed with CCl3CO2Et reactivator. The amount of co-monomer incorporated by these systems have reached 23 mol%. When applied in the presence of aliphatic solvents vanadium complexes catalyze 1-hexene oligomerization yielding dimers and trimers. When the same process is carried out in toluene, the solvent got alkylated by monomers and light oligomers (Friedel-Crafts reaction). (C) 2016 Elsevier Ltd. All  .


53)  The level of toxic and essential trace elements in hair of petrochemical workers involved in different technological processes

Author: Skalny, Anatoly V.; Kaminskaya, Galina A.; Krekesheva, Tatyana I.; and others.


The objective of the investigation is comparative analysis of hair trace element content in workers of different departments of petrochemical plant. A total of 75 men working in office ( engineers), and departments 1 (D-1), 3 (D-3), and 4 (D-4) of the petrochemical plant, as well as occupationally nonexposed persons, were examined. Hair trace element levels were analyzed using inductively coupled plasma mass spectrometry. The office workers were characterized by the highest hair As, Hg, Sn, I, and Si content as compared to the workers of other departments, whereas the level of those elements did not differ significantly from the control values. It is notable that hair Be levels in all employees of petrochemical plant were significantly lower, whereas Se content was significantly higher than that in unexposed controls. Hair toxic trace element content in workers directly involved in industrial processes did not differ significantly or was lower than that in the control group. At the same time, the highest levels of essential trace elements (Cr, Fe, and I) were observed in employees working in primary oil refining (D-1). Hair levels of Co, I, and Li were maximal in persons of sulfur and bitumen-producing division (D-4). The lowest levels of both essential and toxic trace elements in hair were detected in employees involved in production of liquefied gas, kerosene, and diesel fuel (D-3). The obtained data demonstrate that involvement in different technological processes in petrochemical complex differentially affect hair trace element content in workers.


54)  Analytical performance estimation of network-assisted D2D communications in urban scenarios with rectangular cells

Author: Samuylov, Andrey; Ometov, Aleksandr; Begishev, Vyacheslav; and others.


The aggressive spatial reuse of radio resources is considered today as one of the most promising avenues to achieve significant cellular capacity improvements in future fifth-generation networks. Accordingly, device-to-device (D2D) communications are an emerging paradigm that promises to offer these much expected gains without the need for additional investments into the network infrastructure. However, before this attractive technology can be deployed ubiquitously, the research community has to fully understand the extent of its potential performance benefits across typical scenarios of interest. In this work, we consider one such use case of rectangular cells (common for offices, shopping malls, dormitories, etc.) and develop the corresponding analytical methodology for D2D performance evaluation. As our target metric, we employ the signal-to-interference (SIR) ratio experienced by a D2D user. To this end, we propose two relatively simple approximations for SIR distribution and hence capture the related parameters, including user throughput. Further, we carefully investigate the most interesting numerical results by making important conclusions on the envisioned operation of our chosen scenario. In particular, we demonstrate that under certain conditions, the SIR behaviour is insensitive to the dimensions of cells, while different propagation exponents 'scale' its density function thus allowing to simplify the characterisation of SIR in a wide range of input parameters. Copyright (C) 2015 John Wiley & Sons, Ltd.


55)  Stability Analysis for Composite Optimization Problems and Parametric Variational Systems

Author: Mordukhovich, B. S.; Sarabi, M. E.


This paper aims to provide various applications for second-order variational analysis of extended-real-valued piecewise linear functions recently obtained by the authors. We mainly focus here on establishing relationships between full stability of local minimizers in composite optimization and Robinson's strong regularity of associated (linearized and nonlinearized) KKT systems. Finally, we address Lipschitzian stability of parametric variational systems with convex piecewise linear potentials.


56)  Hair toxic and essential trace elements in children with autism spectrum disorder

Author: Skalny, Anatoly V.; Simashkova, Natalia V.; Klyushnik, Tatiana P.; and others.

(Q2) METABOLIC BRAIN DISEASE Volume: 32 Issue: 1 Pp.: 195-202

The objective of the study was to investigate hair trace elements content in children suffering from autism spectrum disorder (ASD). A total of 74 ASD children and 74 sex- and age-matched controls divided into two age groups (2-4 and 5-9 years) were investigated. Hair trace elements content was assessed using inductively coupled plasma mass spectrometry. A general cohort of ASD children was characterized by 29 %, 41 %, and 24 % lower hair levels of chromium (Cr), iodine (I), and vanadium (V), respectively, whereas the level of selenium (Se) exceeded the respective control values by 31 %. In ASD children aged 2-4 years hair Cr, I and V content was 68 %, 36 % and 41 % lower than in the controls. Older ASD children were characterized by 45 % increase in hair Se levels. In a general cohort of ASD children hair beryllium (Be) and tin (Sn) levels were 50 % and 34 % lower than the control values. In the first age group (2-4 years) of ASD children 34 %, 42 %, and 73 % lower levels of arsenic (As), boron (B), and Be were detected. In the second age group of ASD children only a nearly significant 25 % decrease in hair lead (Pb) was detected. Surprisingly, no significant group difference in hair mercury (Hg), zinc (Zn), and copper (Cu) content was detected. Generally, the results of the present study demonstrate that children with ASD are characterized by lower values in hair of not only essential but also toxic trace elements.


57)  Synthesis and characterization of a series of novel metal complexes of N-heterocyclic azo-colorants derived from 4-azo-pyrazol-5-one

Author: Kovalchukova, Olga V.; Ryabov, Mikhael A.; Dorovatovskii, Pavel V.; and others.

(Q2) POLYHEDRON Volume: 121 Pp.: 41-52 

A series of novel metal complexes of Cu(II), Co(II), Ni(II), and Zn(II) with three N-heterocyclic derivatives of 4-azo-pyrazol-5-one were isolated and identified by FT IR, 1H NMR, ESR, and UV-Vis spectroscopy. The crystallographic data for a sodium salt as well as Co(II) and Cu(II) complexes were obtained. Formation constants of the complexes in ethanol aqueous solutions were calculated. Structures of yet unstudied metal complexes were proposed based on quantum-chemical modeling at the DFT/B3LYP level. (C) 2016 Elsevier Ltd. All  .


58)  Oxidative Azo-Ene Cyclization

Author: Derrien, Nolwenn; Sharley, James S.; Rubtsov, Aleksandr E.; and others.

(Q1) ORGANIC LETTERS Volume: 19 Issue: 1 Pp.: 234-237 

An expedient procedure for catalytic oxidative azo-ene cyclization of allylic and homoallylic 1,2-thydratinedicarboxylates is reported. The reaction produced a wide range of cyclic carbamate derivatives featuring an appended alkene fragment ready for further functionalization.


59)  The Distribution of Activation Markers and Selectins on Peripheral T Lymphocytes in Preeclampsia

Author: Bajnok, Anna; Ivanova, Maria; Rigo, Janos, Jr.; and others.


Introduction. Impaired maternal immune tolerance resulting in systemic inflammation plays a pivotal role in the pathogenesis of preeclampsia. Phenotypical changes of monocytes and neutrophil granulocytes have already been studied in preeclampsia, and some studies also included T lymphocyte activation markers; however, the results are controversial and a comprehensive analysis of activation markers is lacking. The characteristics of cellular adhesion molecules in preeclampsia are yet to be described. Material and Methods. Peripheral blood samples of 18 preeclamptic patients and 20 healthy pregnant women in the third trimester were evaluated using flow cytometry to characterize the cell surface expression of T lymphocyte activation markers and selectins. Results. We found an elevated ratio of HLA-DR and CD122-, CD62E-, and CD62L-expressing cells among the CD4+ T lymphocytes in PE in comparison to healthy pregnancy. No alterations were found in the prevalence of CD69-, CD25-, and CD62P-expressing lymphocytes and CD11c-expressing monocytes. Conclusions. Our findings support the role of activated T lymphocytes and specific cell adhesion molecules in the pathogenesis of preeclampsia.


60)  Spin-orbit coupling of sp(2) nanocarbons and magnetism of fullerene C-60 in view of spin peculiarities of unrestricted Hartree-Fock solution

Author: Sheka, Elena F.; Orlenko, Elena V.


The paper presents the first application of unrestricted Hartree-Fock formalism to the consideration of spin-orbit coupling (SOC) of open-shell systems in general and sp(2) nanocarbons in particular. The SOC parameters determination is exhibited on the example of stretched ethylene. g-Factor determination addresses fullerene C-60 due to its peculiar paradiamagnetic behavior at low temperature characterized by a set of local spins with different g-factors. The approach application has allowed not only to suggest a reliable explanation of the factor variability but to supplement it by a quantitative agreement with experimental data.


61)  Agomelatine in the treatment of mild-to-moderate depression in patients with cardiovascular disease: results of the national multicenter observational study PULSE

Author: Medvedev, Vladimir E.


Background: PULSE was a large, observational, multicenter study designed to evaluate the efficacy and safety of agomelatine in the treatment of major depression in patients with cardiovascular disease (CVD).

Methods: Patients with mild-to-moderate major depressive episodes, without psychotic symptoms, were treated as outpatients or in cardiac facilities in 46 regions of Russia. The patients received antidepressant monotherapy with agomelatine 25 or 50 mg, once daily, for 12 weeks.

Results: The mean age of the patients (N = 896) was 51.4 +/- 9.9 years, and 68.5% were women. A progressive improvement in the total score on both the anxiety and depression subscales of the Hospital Anxiety and Depression Scale (HADS), from 13.1 +/- 3.8 and 13.9 +/- 3.1 at baseline to 3.7 +/- 2.8 and 3.9 +/- 3.0, respectively, was observed by 12 weeks. All individual HADS scores improved rapidly; the change between visits was also significant (P < 0.0001). The majority (84.6%) were remitters (HADS total score. 7) by 12 weeks. The Clinical Global Impression - Severity and Improvement scores also improved quickly. The mean hypochondria index (Whiteley Index) decreased significantly from 48.0 +/- 11.8 at baseline to 25.2 +/- 9.2 at 12 weeks (P < 0.0001). The main hemodynamic indices improved or remained stable, and biochemical parameters reflecting liver function (aspartate aminotransferase, alanine aminotransferase, gamma-glutamyl transpeptidase, alkaline phosphatase, total bilirubin) did not exceed three times the upper limits of established norms.

Conclusion: Agomelatine resulted in statistically significant improvements in depressive symptoms, anxiety, and hypochondria in depressed patients with CVD, and had good tolerability. Our data suggest that agomelatine is safe to treat depression in patients with CVD.


62)  On the Existence of Solutions of Nonlinear Equations

Author: Arutyunov, A. V.

(Q3) DOKLADY MATHEMATICS Volume: 95 Issue: 1 Pp.: 46-49 

Nonlinear equations in Banach spaces are considered. Solvability conditions are obtained for them. These results are a generalization of the Hadamard diffeomorphism theorem. Additionally, conditions for the existence of coincidence points of two mappings acting on metric spaces are obtained.


63)  Spectra of Short Monadic Sentences about Sparse Random Graphs

Author: Zhukovskii, M. E.; Kupavskii, A. B.

(Q3) DOKLADY MATHEMATICS Volume: 95 Issue: 1 Pp.: 60-61 

A random graph G(n, p) is said to obey the (monadic) zero-one k-law if, for any monadic formula of quantifier depth k, the probability that it is true for the random graph tends to either zero or one. In this paper, following J. Spencer and S. Shelah, we consider the case p = n(-alpha). It is proved that the least k for which there are infinitely many alpha such that a random graph does not obey the zero-one k-law is equal to 4.


64)  Dynamics of Discrete Time Systems with a Hysteresis Stop Operator

Author: Arnold, Maxim; Begun, Nikita; Gurevich, Pavel; and others.


We consider a piecewise linear two-dimensional dynamical system that couples a linear equation with the so-called a hysteresis stop operator. Global dynamics and bifurcations of this system are studied depending on two parameters. More complicated systems involving stop operators may have potential applications in the economic modeling of agents that display frictions and memory dependence.


65)  Failure of the chain rule for the divergence of bounded vector fields

Author: Crippa, Gianluca; Gusev, Nikolay; Spirito, Stefano; and others.


We provide a vast class of counterexamples to the chain rule for the divergence of bounded vector fields in three space dimensions. Our convex integration approach allows us to produce renormalization defects of various kinds, which in a sense quantify the breakdown of the chain rule. For instance, we can construct defects which are absolutely continuous with respect to the Lebesgue measure, or defects which are not even measures.


66)  Existence and Uniqueness Results for an Inverse Problem for Semilinear Parabolic Equations

Author: Sazaklioglu, Ali Ugur; Ashyralyev, Allaberen; Erdogan, Abdullah Said

(Q2) FILOMAT Volume: 31 Issue: 4 Pp.: 1057-1064 

In the present study, unique solvability of an inverse problem governed by semilinear parabolic equations with an integral overdetermination is investigated. Furthermore, for the approximate solution of this problem a first order of accuracy difference scheme is constructed. Existence and uniqueness results for the solution of this difference scheme are established. Considering a particular example, some numerical results are discussed.



Author: Kamenskii, Mikhail; Obukhovskii, Valeri; Petrosyan, Garik; and others.

(Q3) FIXED POINT THEORY Volume: 18 Issue: 1 Pp.: 269-291 

We are considering the Cauchy problem for a semilinear fractional differential inclusion in a Banach space. By using the fixed point theory for condensing multivalued maps, we prove the local and global theorems of the existence of mild solutions to this problem. We verify the compactness of the solutions set and its continuous dependence on parameters and initial data. We demonstrate also the application of the averaging principle to the investigation of the continuous dependence of the solutions set on a parameter in the case when the right-hand side of the inclusion is rapidly oscillating.


68)  Effective Temperature of Vacuum and Particles on the Horizons

Author: Fil'chenkov, M. L.; Laptev, Yu. P.; Borodin, G. V.

(Q3) GRAVITATION & COSMOLOGY Volume: 23 Issue: 1 Pp.: 80-83 

An approach has been proposed in which the evolution of horizons is determined by their effective temperature. Effective horizon lifetimes are evaluated for two spherically symmetric metrics. It has been obtained that the charge in the Reissner-Nordstrom metric is lost much faster than its mass, and that Kottler's metric vacuum in the early Universe may decay faster than Schwarzschild's horizon evaporates. The results obtained may be of importance for black hole physics and cosmology.


69)  Zinc supplementation modifies trace element status in exercised rats

Author: Skalny, Andrey A.; Medvedeva, Yulia S.; Alchinova, Irina B.; and others.

(Q3) JOURNAL OF APPLIED BIOMEDICINE Volume: 15 Issue: 1 Pp.: 39-47 

Purpose: Investigation of the effect of exercise and zinc (Zn) supplementation on trace element status in rats. Methods: 24 male Wistar were divided into four groups: control, exercised, Zn-supplemented (15 mg/kg weight Zn asparaginate), exercised Zn-supplemented. Zn was supplemented as Zn asparaginate. Serum lactate and creatinine levels, and creatine kinase activity were assessed. Tissue trace elements were estimated using inductively coupled plasma mass spectrometry.

Results: Exercise significantly increased lactate, and creatinine levels. Exercise significantly decreased muscle, kidney, and hair Zn; liver, muscle and serum Co; serum Fe; myocardial and hair Cu; liver, heart, skeletal muscle and kidney Se levels. Oppositely, exercise results in elevation of liver Zn; heart and skeletal muscle, kidney and hair Fe; kidney Cu; liver and hair Mn; serum and hair Se content. Zn supplementation reduced exercise-induced increase in lactate and creatinine levels, and elevated liver, kidney, heart, and hair Zn content in exercised rats. Supplementation with Zn reversed exercise-induced decrease in Co levels and increased Fe and Se stores in animals with high physical activity.

Conclusions: Beneficial effect of zinc supplementation in exercised organism may be associated not only with modulation of zinc status but regulation of other essential trace elements status and their biological effects. (C) 2016 Published by Elsevier Sp. z o.o. on behalf of Faculty of Health and Social Sciences, University of South Bohemia in Ceske Budejovice.


70)  First synthesis of heterocyclic allenes - benzazecine derivatives

Author: Voskressensky, Leonid G.; Titov, Alexander A.; Dzhankaziev, Maksad S.; and others.

(Q1) NEW JOURNAL OF CHEMISTRY Volume: 41 Issue: 5

Benzazecines with an allene fragment were prepared for the first time and in high yields via tandem reaction of 1-phenylethynyl-1-methyl(benzyl)-1,2,3,4-tetrahydroisoquinolines with activated alkynes in trifluoroethanol.


71)  Surfatron accelerator in the local interstellar cloud

Author: Loznikov, V. M.; Erokhin, N. S.; Zol'nikova, N. N.; and others.

(Q2) PLASMA PHYSICS REPORTS Volume: 43 Issue: 1 Pp.: 51-61

Taking into account results of numerous experiments, the variability of the energy spectra of cosmic rays (protons and helium nuclei) in the energy range of 10 GeV to similar to 10(7) GeV is explained on the basis of a hypothesis of the existence of two variable sources close to the Sun. The first (soft) surfatron source (with a size of similar to 100 AU) is located at the periphery of the heliosphere. The second (hard) surfatron source (with a size of similar to 1 pc) is situated in the Local Interstellar Cloud (LIC) at a distance of < 1 pc. The constant background is described by a power-law spectrum with a slope of similar to 2.75. The variable heliospheric surfatron source is described by a power-law spectrum with a variable amplitude, slope, and cutoff energy, the maximum cutoff energy being in the range of E (D<inverted exclamation>De)/Z < 1000 GeV. The variable surfatron source in the LIC is described by a power-law spectrum with a variable amplitude, slope, and cut-off energy, the maximum cut-off energy being E (D<inverted exclamation>L)/Z <= 3 x 10(6) GeV. The proposed model is used to approximate data from several experiments performed at close times. The energy of each cosmic-ray component is calculated. The possibility of surfatron acceleration of Fe nuclei (Z = 26) in the LIC up to an energy of E (CL) similar to 10(17) eV and electron and positrons to the "knee" in the energy spectrum is predicted. By numerically solving a system of nonlinear equations describing the interaction between an electromagnetic wave and a charged particle with an energy of up to E/Z similar to 3 x 10(6) GeV, the possibility of trapping, confinement, and acceleration of charged cosmic-ray particles by a quasi-longitudinal plasma wave is demonstrated.


72)  Narrow orthogonally additive operators in lattice-normed spaces

Author: Pliev, M. A.; Fang, X.

(Q2) SIBERIAN MATHEMATICAL JOURNAL Volume: 58 Issue: 1 Pp.: 134-141

We consider a new class of narrow orthogonally additive operators in lattice-normed spaces and prove the narrowness of every C-compact norm-laterally-continuous orthogonally additive operator from a Banach-Kantorovich space V into a Banach space Y. Furthermore, every dominated Urysohn operator from V into a Banach sequence lattice Y is also narrow. We establish that the order narrowness of a dominated Urysohn operator from a Banach-Kantorovich space V into a Banach space with mixed norm W implies the order narrowness of the least dominant of the operator.


73)  On nonexistence of solutions to some nonlinear inequalities with transformed argument

Author: Salieva, Olga


We obtain results on nonexistence of nontrivial solutions for several classes of nonlinear partial differential inequalities and systems of such inequalities with transformed argument.


74)  Towards macrocyclic ionic liquids: novel ammonium salts based on tetrasubstituted p-tert-butylthiacalix[4]arenes

Author: Padnya, Pavel L.; Andreyko, Elena A.; Gorbatova, Polina A.; and others.

(Q1) RSC ADVANCES Volume: 7 Issue: 3 Pp.: 1671-1686

Water-insoluble ionic liquids based on p-tert-butylthiacalix[4] arenes tetrasubstituted at the lower rim with amide and quaternary ammonium groups containing alkyl, phenyl, ester, phthalimide, glycine, alanine and glycylglycine groups in cone and 1,3-alternate conformations were synthesized. It was established that macrocycles containing quaternary ammonium fragments with alkyl, phenyl and ester groups at the nitrogen atom in cone conformation melt lower by 8-31 degrees C than 1,3-alternate stereoisomers. It was shown that the introduction of the bis(trifluoromethylsulfonyl) imide anion as a counterion in the structure of quaternary ammonium salts based on thiacalix[4] arenes led to a substantial decrease in the melting point of the above salts.


75)  A mechanistic study of the Lewis acid-Bronsted base-Bronsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone

Author: Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; and others.

(Q2) CATALYSIS SCIENCE & TECHNOLOGY Volume: 7 Issue: 1 Pp.: 90-101 

The Michael addition of diethyl malonate (Michael Donor, MD) to cyclohexenone (Michael Acceptor, MA) catalysed by the mono-lithium salt of (S)- or (R)-BIMBOL in dichloromethane is shown to exhibit biomimetic behavior. A combination of kinetics, spectroscopic studies, synthesis of catalyst analogues, inhibition studies and DFT calculations are used to show that the catalyst activates both components of the reaction and uses a chain of proton transfers to facilitate the deprotonation of diethyl malonate. The initial reaction rate was first order relative to both MA and MD and 0.5 order relative to the catalyst, indicating that an equilibrium exists between monomeric and dimeric forms of the catalyst, with the dimer predominating, but only the monomeric form being catalytically active. This was supported by DOSY H-1 NMR experiments. The importance of the Lewis acidic lithium cation in the catalytic step was established by complete inhibition of the reaction by lithium complexing agents. The importance of the number of OH-groups and their relative intramolecular orientation and acidities in the polyol catalyst was shown by studying the relative catalytic activities of catalyst analogues. DFT calculations allowed the relative energies and structures of the likely intermediates on the reaction coordinate to be calculated and indicated that the ionisation of MD was facilitated due to the Lewis acidity of the lithium cation and hydrogen bond formation between deprotonated MD (MD-1) and the OH groups of the BIMBOL moiety.


76)  1,5-Diaryl-3-oxo-1,4-pentadienes based on (4-oxopiperidin-1-yl)(aryl)methyl phosphonate scaffold: synthesis and antitumor properties

Author: Makarov, Mikhail V.; Rybalkina, Ekaterina Yu.; Anikina, Lada V.; and others.

(Q1) MEDICINAL CHEMISTRY RESEARCH Volume: 26 Issue: 1 Pp.: 140-152 

Novel 3,5-bis(arylidene)-4-piperidones modified with diethyl[(aryl)methyl]phosphonate moiety attached to the piperidone nitrogen atom have been synthesized by crotonic condensation of aromatic aldehydes with diethyl[(4-oxopiperidin-1-yl)(aryl)methyl]phosphonates in the presence of LiClO4/Et3N system or acetonitrile solution of boron trifluoride etherate. The synthesized phosphonate derivatives of 3,5-bis(arylidene)-4-piperidone series displayed inhibitory properties toward RD, PC3, HCT116, and MCF7 human cancer cell lines with IC50 values in the range of 2.5-8.5 mu M, as assessed by an in vitro 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay.



Author: Dudin, M. N.; Voykova, N. A.; Frolova, E. E.; and others.

(Q2) METALURGIJA Volume: 56 Issue: 1-2 Pp.: 255-258 

This article overviews complex study into modern trends and challenges of development of global aluminum industry. Dynamics, structure, and segmentation of global aluminum market are discussed in terms of systematic analysis. On this basis strategic map of the industry has been plotted and five forces of competition on global aluminum market have been determined which will influence directly on functioning and development of aluminum producing companies.


78)  The Russian Variant of Food Security

Author: Wegren, Stephen K.; Nikulin, Alexander M.; Trotsuk, Irina

(Q1) PROBLEMS OF POST-COMMUNISM Volume: 64 Issue: 1 Pp.: 47-62 

Russia's political leaders have a different understanding of food security than traditional usage. The traditional usage of the term food security refers to access, availability, and nutritional aspects of food. According to the conventional application of food security, the vast majority of the Russian population is not food insecure by traditional measures. The Russian variant of food security connects food trade to national security. The Russian political leadership argues that Russia is food insecure based on food imports. Survey data are used to assess support for the government's food security policy, and to analyze the impact of the self-imposed food embargo on Russian consumers.


79)  Copper-Catalyzed Transformation of Hydrazones into Halogenated Azabutadienes, Versatile Building Blocks for Organic Synthesis

Author: Nenajdenko, Valentine G.; Shastin, Alexey V.; Gorbachev, Vladimir M.; and others.

(Q1) ACS CATALYSIS Volume: 7 Issue: 1 Pp.: 205-209 

A one-step copper-catalyzed reaction of aldehyde-derived N-substituted hydrazones with CCl4 resulted in efficient synthesis of 4,4-dichloro-1,2-diazabuta-1,3-dienes. It was proven that this C C bond forming cascade reaction operates via an addition of trichloromethyl radical to the C=N bond of hydrazone followed by a base-induced elimination of HCI. The reaction was found to be very general, as diverse hydrazones possessing various aromatic groups at N-site, as well as aromatic, aliphatic, and heterocyclic substituents at C-site, are capable partners for coupling with a wide range of polyhalogenated compounds (CC13Br, CBr4, CC13CN, CCI3COOEt, CCI3CF3, CBr3CF3) to produce a family of functionalized 1,2-diazabuta-1,3-dienes. It was demonstrated that the prepared heterodienes are highly versatile building blocks for straightforward assembly of various valuable acyclic and heterocyclic molecules.


80)  Copper (II) arylhydrazone complexes as catalysts for C-H activation in the Henry reaction in water

Author: Ma, Zhen; Gurbanov, Atash V.; Maharramov, Abel M.; and others.

(Q1) JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL Volume: 426 Special Issue: SI Pp.: 526-533

Three new water-soluble copper(II) complexes [Cu(HL)(H2O){(CH3)(2)NCHO}] (1), [Cu(H2L)(2)(im)(4)]center dot CH3OH (2) and [Cu(HL)(CH3OH)](2)(mu(2)-py) (3) were synthesized from copper(II) nitrate and sodium (Z)-2-(2-(1,3-dioxo-1-(phenylamino)butan-2-ylidene)hydrazinyl)benzene-sulfonate (NaH2L), in the absence (for 1) and presence of imidazole (im) (for 2) or pyrazine (py) (for 3), and fully characterized. The complexes 1-3 have been tested as stereoselective C-H activating catalysts for the model nitroaldol (Henry) condensation of nitroethane with various aldehydes in water. 1 was the most active catalyst affording 64-87% yields with syn/anti diasteroselectivities up to 77:23. Crown Copyright (C) 2016 Published by Elsevier B.V. All

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