Orthotropic semi-infinite medium with a crack under thermal shock

A cracked orthotropic semi-infinite plate under thermal shock is investigated. The thermal stresses are generated due to sudden cooling of the boundary by ramp function temperature change. The superposition technique is used to solve the problem. The crack problem is formulated by applying the thermal stresses obtained from the uncracked plate with opposite sign to be the only external loads on the crack surfaces as the crack surface tractions. The Fourier transform technique is used to solve the problem leading to a singular equation of the Cauchy type. The singular integral equation is solved numerically using the expansion method. The influence of the material orthotropy on the stress intensity factors is shown by comparing the results obtained for different orthotropic materials and isotropic materials in the case of plane stress. The numerical results of the stress intensity factors are demonstrated as a function of time, crack length, location of the crack and the duration of the cooling rate.     

Factors affecting optical dispersion in borate glass systems

Series of ternary glass systems namely, Na₂O, B₂O₃, and RO (R=Ba or Mg) doped with TiO₂ are synthesized. The present glasses are dictated by requirement for a small refractive index and a small nonlinear coefficient needed for waveguide and laser fabrication requirements. The effect of MgO and BaO as alkaline earth metals on the optical properties of the glass systems is investigated. The dependence of the refractive index and extinction coefficient dispersion curves on composition is carried out over a wavelength range of 0.3-. Applying a genetic algorithm technique, the parameters of Sellmeier dispersion formula that fit index data to accuracy consistent well with the measurements are given. The zero material dispersion-wavelength (ZMDW) and group velocity are also determined using the refractive index data. The Fermi level is calculated exploiting the extinction coefficient dispersion curves. The absorption coefficient, both direct and indirect optical energy gaps, and Urbach energy are evaluated using the absorption edge calculations. The different factors that play a role for controlling the refractive indices such as coordination number, electronic polarizability, field strength of cations, bridging and nonbridging oxygen, and optical basicity are discussed in accordance with the obtained index data. IR spectroscopy is used as a structural probe of the nearest-neighbor environment in the glass network.     

On the equality of two-variable general functional means

Aequationes mathematicae - Given two functions $$f,g:I\rightarrow \mathbb {R}$$ and a probability measure $$\mu $$ on the Borel subsets of [0, 1], the two-variable mean $$M_{f,g;\mu...     

Erratum to: Synthesis and Antimicrobial Activity of Novel N3,N5-Bis[1-({1-[2-((E)-benzylidene)hydrazinyl]-1-oxo-3-phenylpropan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]pyridine-3,5-dicarboxamides

Russian Journal of General Chemistry - Erratum     

New Pyrimidine-5-Carbonitriles as COX-2 Inhibitors: Design,Synthesis, Anticancer Screening,Molecular Docking,and In Silico ADME Profile Studies

Two series of cyanopyrimidine hybrids were synthesized bearing either benzo[d]imidazole, benzo[d]oxazole, benzo[d]thiazole, and benzo[b]thiophene derivatives via methylene amino linker 3a–3d (Formula A) or various sulphonamide phenyl moieties 5a–5d (Formula B) at the C-2 position. All compounds’ cyclooxygenase COX-2 inhibitory activities were evaluated, and all synthesized compounds demonstrated potent activity at minimal concentrations, with IC₅₀ values in the submicromolar range. Compounds 3b, 5b, and 5d were discovered to be the most active pyrimidine derivatives, with the highest COX-2 percent inhibition and IC₅₀ values being nearly equal to Celecoxib and approximately 4.7-, 9.3-, and 10.5-fold higher than Nimesulide. Furthermore, the pyrimidine derivatives 3b, 5b, and 5d demonstrated anticancer activity comparable to or better than doxorubicin against four cell lines, i.e., MCF-7, A549, A498, and HepG2, with IC₅₀ values in nanomolar in addition to low cytotoxicity on the normal W38-I cell line. The effect of compound 5d on cell cycle progression and apoptosis induction was investigated, and it was found that compound 5d could seize cell growth at the sub-G1 and G2/M phases, as well as increase the proportion of early and late apoptotic rates in MCF-7 cells by nearly 13- and 60-fold, respectively. Moreover, in silico studies for compounds 3b, 5b, and 5d revealed promising findings, such as strong GIT absorption, absence of BBB permeability, nil-to-low drug–drug interactions, good oral bioavailability, and optimal physicochemical properties, indicating their potential as promising therapeutic candidates.     

Semi-elliptic computation of an axi-symmetric transonic nozzle flow

A newly developed, semi-elliptic computational algorithm is employed to predict the transonic flow inside an axisymmetric, convergent-divergent nozzle featuring small wall radius of curvature at the throat. The predictions obtained are compared against flow measurements for this nozzle, which have been reported elsewhere. Good agreement between the corresponding measurements and predictions is revealed, thus validating the computational algorithm and demonstrating its value as a design tool.     

Die Wechselwirkung zwischen Polymerisations-Initiatoren und -Inhibtoren in Lösung. 6. Mitt. Der Mechanismus der Wechselwirkung von Aroylperoxiden mit Hydrochinon in Chloroform und Acetonitril

Ohne Zusammenfassung     

Synthesis and QSAR Study of Some Novel Heterocyclic Derivatives as In Vitro Cytotoxic Agents

2,3‐Diaryloxirane‐2,3‐dicarbonitriles have employed in heterocyclic synthesis in many organic reactions. Authors highlight its use as intermediate in the synthesis of various organic compounds through the reaction with different nitrogen nucleophiles as methyl hydrazine, thiourea, thiosemicarbazide, methylglycinate, and others to furnish new heterocyclic derivatives. They are also used as key starting materials to construct some important heterocycles. Structures of all newly synthesized products are substantiated by studying their micro analytical and spectral data. Some of newly synthesized compounds were evaluated for their in vitro cytotoxic effects against a panel of three human tumor cell lines, namely, Hep‐G2, Hela, and MCF‐7. Most of the newly synthesized compounds ( 1a , 2a , 2d , 3 , 4 , 5 , 6a , 6c , 6d , 7a , and 7b ) inhibited cell proliferation with IC₅₀ values in range of 0.52–5.21 μΜ. For activity against HepG2 cell line, compounds 5 , 6a , 6d , and 7b emerged as the most active members. The Hela cell line showed highest sensitivity toward compounds 2a , 2d , and 6c whereas compounds 2d and 6c showed the highest inhibitory activity against MCF‐7 cell line.     

One-pot synthesis,spectroscopic characterization and DFT study of novel 8-azacoumarin derivatives as eco-friendly insecticidal agents

A series of sixteen 8-azacoumarin derivatives bearing aryl moieties at C-5 and C-7 was designed and synthesized by a concise and facile procedure utilizing grinding and ultrasound approaches. The efficient multi-component protocols proceeded smoothly and in the absence of solvent to furnish the target products in moderate to good yields. All the synthesized molecules were characterized via ¹HNMR, ¹³CNMR, IR, mass spectra, and elemental analyses. The density functional theory (DFT) was then used to discover the structural and electronic characteristics of such compounds. Finally, an insecticidal study against Plutella xylostella and Helicoverpa armigera on the synthesized compounds is reported. The bioassay results indicated that some of the tested compounds showed potency ranging from good to moderate. In particular, analogs 6i and 6l, among the tested compounds, showed even more potency than commercial chlorpyrifos. On the other hand, the rest of the tested compounds showed moderate to weak activities.     

Unguiculins A-C: cytotoxic bis-guanidine alkaloids from the French Polynesian sponge,Monanchora n. sp

Two new acyclic bis-guanidine alkaloids, unguiculins B-C (2–3), were isolated from a French Polynesian sponge Monanchora n. sp. together with the known compound unguiculin A (1). Their structures were established by spectroscopic data interpretation and comparison with the literature. Unguiculins A-C displayed antiproliferative and cytotoxic efficacy against several human cancer cells with IC₅₀ values in the micromolar range.