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1.
Czechoslovak Mathematical Journal - The goal of this paper is to present a different approach to the homogenization of the Dirichlet boundary value problem in porous medium. Unlike the standard... 相似文献
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A detailed study of the geometry, aromatic character, electronic and magnetic properties for a series of positively charged N-doped polycyclic aromatic hydrocarbons (PAHs) was performed. Magnetic properties of the examined molecules were analyzed by means of the magnetically induced current density calculated using the diamagnetic-zero version of the continuous transformation of origin of current density (CTOCD-DZ) method. The comparative study of the local aromaticity of the studied molecules was performed using several different indices: energy effect (ef), harmonic oscillator model of aromaticity (HOMA) index, six centre delocalization index (SCI) and nucleus independent chemical shifts (NICS). The presence of N-atoms in the inner rings was found to cause a planarity distortion in the studied N-doped systems. The geometric changes and charged nature of the studied N-doped systems do not significantly influence the current density and the local aromaticity distribution in comparison with the corresponding parent benzenoid hydrocarbons. The present study demonstrates how quantum chemical calculations can be used for rational design of novel PAHs and for fine tuning of their properties. 相似文献
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Nonlinear Dynamics - Two types of constitutive equations consisting of instantaneous and power type hereditary contributions are proposed in order to model generalized capacitor (inductor). The... 相似文献
5.
Bajuk-Bogdanović Danica Holclajtner-Antunović Ivanka Jovanović Zoran Mravik Željko Krstić Jugoslav Uskoković-Marković Snežana Vujković Milica 《Journal of Solid State Electrochemistry》2019,23(9):2747-2758
Journal of Solid State Electrochemistry - The synergistic effects between two Keggin-type heteropoly acids (HPAs) and carbon surface were examined and elucidated. An improved high rate capability... 相似文献
6.
Anastasiya V. Igushkina Alexander A. Golovanov Irina A. Boyarskaya Ilya E. Kolesnikov Aleksander V. Vasilyev 《Molecules (Basel, Switzerland)》2020,25(24)
Reaction of linear conjugated enynones, 1,5-diarylpent-2-en-4-yn-1-ones, with malononitrile in the presence of lithium diisopropylamide LDA, as a base, in THF at room temperature for 3–7 h resulted in the formation of the product of dimerization, multisubstituted polyfunctional cyclohexanes, 4-aryl-2,6-bis(arylethynyl)-3-(aryloxomethyl)-4-hydroxycyclohexane-1,1-dicarbonitriles, in yields up to 60%. Varying the reaction conditions by decreasing time and temperature and changing the ratio of starting compounds (enynone and malononitrile) allowed isolating some intermediate compounds, which confirmed a plausible reaction mechanism. The relative stability of possible stereoisomers of such cyclohexanes was estimated by quantum chemical calculations (DFT method). The obtained cyclohexanes were found to possess photoluminescent properties. 相似文献
7.
Daniel Cardenas Anna Turyanskaya Mirjam Rauwolf Arash Panahifar David Cooper Gregory R. Wohl Christina Streli Peter Wobrauschek Ana Pejović-Milić 《X射线光谱测定》2020,49(3):424-433
Strontium-based medications, such as strontium ranelate, have been suggested to have therapeutic effects in patients with osteoporosis. Strontium salts available off-shelf in stores across North America are assumed to provide similar effects as strontium ranelate and thus should lead to similar distributions of elemental strontium incorporated in bone. The objective of this study was to compare the spatial distribution of strontium in animal bones following the administration of strontium ranelate and strontium citrate. Seventeen-week-old Sprague–Dawley rats were split into three groups over 10 weeks and given 625 mg/kg/day of strontium ranelate and 676 mg/kg/day of strontium citrate; the control group received no additional supplementary strontium. The humeri were collected from all animals, and strontium distribution was mapped using 2D micro-XRF and 3D dual energy K-edge subtraction (KES) imaging. 2D and 3D elemental mapping methods demonstrated that strontium delivered during treatment by both salts had the same spatial distribution. 3D elemental strontium maps of treated animal bones showed that strontium was largely observed in the trabecular regions under the epiphyseal (growth) plate. The thickness of the strontium layers in both the strontium ranelate and strontium citrate sample was not significantly different (p = .9201). 2D micro-XRF and 3D dual-energy KES images effectively elucidated the spatial distribution of elemental strontium in calcified tissue. These methods provide a novel approach to evaluating the potential efficacy of strontium supplements in the treatment of osteoporosis. 相似文献
8.
ABSTRACT We consider the nonsteady flow of a micropolar fluid in a thin (or long) curved pipe via rigorous asymptotic analysis. Germano's reference system is employed to describe the pipe's geometry. After writing the governing equations in curvilinear coordinates, we construct the asymptotic expansion up to a second order. Obtained in the explicit form, the asymptotic approximation clearly demonstrates the effects of pipe's distortion, micropolarity and the time derivative. A detailed study of the boundary layers in space is provided as well as the construction of the divergence correction. Finally, a rigorous justification of the proposed effective model is given by proving the error estimates. 相似文献
9.
Under the influence of previously published and some new theoretical results, potential‐ dependent adsorption and desorption of model electroinactive surfactants Triton X‐100 (T‐X‐100 or polyethylene glycol p‐(1,1,3,3‐tetramethylbutyl)‐phenyl ether) and sodium dodecyl sulfate (SDS) on the static mercury drop electrode (SMDE) were studied by square‐wave voltammetry (SWV). Although (according to the theory) the resulting current – potential curve should consist of two highly separated peaks, only desorption signal could be seen on each experimentally obtained voltammogram, most probably because of the limitations concerning the available potential range. Different properties of the recorded peak are in good agreement with the theory indicating that square‐wave voltammetry could be treated as a potential tool for tensammetric studies of electroinactive surface active substances. 相似文献
10.
Sensitivity and stability for Banker's model of Stochastic Data Envelopment Analysis (SDEA) is studied in this paper. In the case of the DEA model, necessary and sufficient conditions to preserve the efficiency of efficient decision-making units (DMUs) and the inefficiency of inefficient DMUs are obtained for different perturbations of data in the model. The cases of perturbations of all inputs, of perturbations of output and of the simultaneous perturbations of output and all inputs are considered. An illustrative example is provided. 相似文献