Interfacial polarization in composite materials with spherical fillers: characteristic frequencies and scaling laws

The dielectric properties of composite materials consisting of a host matrix filled with spherical particles are investigated as a function of frequency by means of numerical calculations. Two different cases are analyzed: (a) composites with a conductive matrix and insulating fillers and (b) composites with an insulating matrix and conductive fillers. In both situations, dielectric dispersions due to interfacial polarization effects are observed in the dielectric spectra. In the present contribution, the characteristic frequencies of interfacial polarization effects are systematically analyzed in dependence on the volume fraction of the spherical fillers and on the conductivity values of the composite phases. The resulting scaling laws are discussed in detail.     

Chlorination of 2-substituted 1-hydroxyindoles

Russian Chemical Bulletin - Chlorination of 1-hydroxyindole-5,6-dicarbonitriles and 1-hydroxypyrrolo[3,4-f]indole-5,7(1H,6H)-diones with N-chlorosuccinimide afforded previously unknown...     

Investigation of spectroscopic studies and DFT calculations on glucofuranose derivatives of dithiophosphonates

Abstract

2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide (Lawesson’s reagent: LR) was reacted with 1,2:5,6-di-O-cyclohexylidene-α-D-glucofuranose and 1,2:5,6-di-O-isopropylidene-α-D-glucofuranose in toluene and gave rise to crude dithiophosphonic acids. The crude dithiophosphonic acids were treated with excess triethylamine and the triethylammonium salts of dithiophosphonic acids (1) and (2) were isolated by crystallization method. Compounds 1 and 2 were characterized by elemental analysis, IR, and NMR (¹H-, ¹³C- and ³¹P-) spectroscopies and mass spectrometry. In addition, NMR spectra, the electronic properties (the electronic chemical potential, electronegativity, chemical hardness and the global electrophilicity index) and NBO analysis of compound 2 have been calculated by using the Gaussian 16?W program. The electronic properties were calculated using Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) energies by density functional method (DFT/B3LYP) at 6-31G(d,p) level. The HOMO and LUMO energies are ?5.9 and ?0.72?eV, respectively. The HOMO–LUMO energy difference is 5.18?eV and this value shows that compound 2 has a high stability and low reactivity.     

Synthesis,spectroscopic (FT-IR and NMR), DFT and molecular docking studies of ethyl 1-(3-nitrophenyl)-5-phenyl-3-((4-(trifluoromethyl)phenyl)carbamoyl)-1H-pyrazole-4-carboxylate

Research on Chemical Intermediates - Trifluoromethyl group containing pyrazole-3-carboxamide derivative is synthesized and the structure of the molecule (E3N5PC) has been verified by using FT-IR,...     

Synthesis of heterocyclic systems with a carbohydrate fragment

Levoglucosenone reacts with α-aminoazoles to yield azolo[1,5-a]pyrimidine systems fused with a carbohydrate fragment. The reaction oocurs much more smoothly than in the case of other α,β-unsaturated ketones. The reactions of levoglucosenone with β-dicarbonyl compounds (dimedone, barbituric acid) in the presence of a base results in the pyran ring closure, which has never been observed earlier in reactions of β-dicarbonyl compounds with α,β-unsaturated ketones under the conditions of basic catalysis. The structures of products were established by IR and NMR spectroscopy. For Part 3, see Ref. 1. Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 553–558, March, 1997.     

Fixed point results on a metric space endowed with a finite number of graphs and applications

In this paper, we consider self-mappings defined on a metric space endowed with a finite number of graphs. Under certain conditions imposed on the graphs, we establish a new fixed point theorem for such mappings. The obtained result extends, generalizes and improves many existing contributions in the literature including standard fixed point theorems, fixed point theorems on a metric space endowed with a partial order and fixed point theorems for cyclic mappings.     

COMMON FIXED POINT THEOREMS FOR MULTI-VALUED MAPS

We establish some results on coincidence and common fixed points for a twopair of multi-valued and single-valued maps in complete metric spaces.Presented theorems generalize recent results of Gordji et...     

On the best constant in a Wente‐type inequality for the fractional Laplace operator

In this paper, we consider the solution to Wente's problem with the fractional Laplace operator (?Δ)^α/2, where 0 < α < 2. We derive a Wente‐type inequality for this problem. Next, we compute the optimal constant in such inequality. Copyright © 2015 John Wiley & Sons, Ltd.