CO adsorption on MgO, CaO and SrO crystals periodic Hartree-Fock calculations

The adsorption of carbon monoxide at the defect-free (1 0 0), (1 1 0) and (2 1 0) five-atomic layer slab of the three oxides: MgO, CaO, and SrO has been investigated using the periodic Hartree-Fock level of ab initio theory, together with the 1 × 1 supercell model. All the calculated CO/oxide interaction energies exhibit exothermic character. The HF interaction energies increase monotonically in the order MgO < CaO < SrO. The surface morphology of adsorbate/substrate interaction is confirmed by considering relaxation energies, Mulliken population analysis, charge density contours, and electrostatic potential maps.     

Studies on some alkali-phosphate glasses containing antimony and iron oxides

The effect of heat treatment on the Fe²⁺/Fe³⁺ ratio in some alkali phosphate glasses containing antimony and iron oxides has been investigated. Differential thermal analysis, Mossbauer spectroscopy, magnetic susceptibility and density measurements as well as the molar volume calculations were used in this study. The obtained data indicate that all glasses show approximately unchangeable stability. It is found, from the area under the Mossbauer absorption spectra that ferrous transformed gradually to ferric ions and the transformation rate constant was found to be 48 min⁻¹. The elapsed time was found to be 160 min. This transformation represents a first-order solid state reaction. The molar magnetic susceptibility measurements confirm the above results.     

Solvent extraction of heptavalent technetium

An extraction study was performed on technetium in its highest oxidation state as a function of nitric acid concentration at 25, 50 and 70 °C. A long chain amine (tri-n-octylamine TOA) and an organophosphorus solvent (TBP) have been investigated. Addition of NH₄NO₃ has a salting-out effect on the extraction of TBP in the aqueous phase and therefore decreases the distribution coefficient for heptavalent technetium. The mechanism of extraction is discussed in the light of the results obtained.     

Effect of substitution of blast-furnace slag by fired drinking water sludge on the properties of pozzolanic cement pastes

Journal of Thermal Analysis and Calorimetry - The effect of fired drinking water sludge (FDWS) as a mineral admixture on the physico-mechanical properties and the fire resistance of pozzolanic...     

Atheroprotective potentials of curcuminoids against ginger extract in hypercholesterolaemic rabbits

The anti-atherogenic potentials of total ginger (Zingiber officinale) extract (TGE) or curcuminoids extracted from turmeric (Curcuma longa), members of family Zingiberaceae, were compared in hypercholesterolaemia. Rabbits were fed either normal or atherogenic diet. The rabbits on atherogenic diet received treatments with TGE or curcumenoids and placebo concurrently for 6 weeks (n = 6). The anti-atherogenic effects of curcuminoids and ginger are mediated via multiple mechanisms. This effect was correlated with their ability to lower cholesteryl ester transfer protein activity. Ginger extract exerted preferential effects on plasma lipids, reverse cholesterol transport, cholesterol synthesis and inflammatory status. Curcuminoids, however, showed superior antioxidant activity.     

Quick and simple formation of different nanosized charge-transfer complexes of the antibiotic drug moxifloxacin: An efficient way to remove and utilize discarded antibiotics

A quick and simple procedure for the synthesis of nanosized complexes of the drug moxifloxacin (MOX) is described. MOX nanoparticles were synthesized via charge-transfer (CT) interactions with the organic acceptors picric acid (PA), chloranilic acid (CLA) and chloranil (CHL). The structure and morphology of these nanoparticles were fully characterized using physicochemical techniques, such as UV–visible, IR, ¹H NMR and ¹³C NMR spectroscopies, XRD, SEM, TEM, and elemental and thermal analyses. Notably, it has been found that the complexation of MOX with an organic acceptor leads to well-organized nanoparticles with a main diameter in the range of 10–20 nm. Interestingly, the direct carbonization of the complex containing the PA acceptor leads to nanoporous carbon material with uniform morphology. This method is an efficient way to remove and utilize discarded MOX antibiotic in other products.     

Enhancement of water barrier properties and tribological performance of hybrid glass fiber/epoxy composites with inclusions of carbon and silica nanoparticles

Water barrier properties and tribological performance (hardness and wear behavior) of new hybrid nanocomposites under dry and wet conditions were investigated. The new fabricated hybrid nanocomposite laminates consist of epoxy reinforced with woven and nonwoven tissue glass fibers and two different types of nanoparticles, silica (SiO₂) and carbon black nanoparticles (C). These nanoparticles were incorporated into epoxy resin as a single nanoparticle (either SiO₂ or C) or combining SiO₂ and C nanoparticles simultaneously with different weight fractions. The results showed that addition of carbon nanoparticles with 0.5 and 1 wt% resulted in maximum reduction in water uptake by 28.55% and 21.66%, respectively, as compared with neat glass fiber reinforced epoxy composites. Addition of all studied types and contents of nanoparticles improves hardness in dry and wet conditions over unfilled fiber composites. Under dry conditions, maximum reduction of 47.26% in weight loss was obtained with specimens containing 1 wt% carbon nanoparticles; however, in wet conditions, weight loss was reduced by 17.525% for specimens containing 0.5 wt% carbon nanoparticles as compared with unfilled fiber composites. Diffusion coefficients for different types of the hybrid nanocomposites were computed using Fickian and Langmuir models of diffusion. Copyright © 2017 John Wiley & Sons, Ltd.     

Facile synthesis of some condensed 1,3-thiazines and thiazoles under conventional conditions: antitumor activity

1,3-Thiazine 3 was obtained from cinnamoyl thiourea derivative 2 as the kinetic control product. Refluxing of 2 with sodium ethoxide afforded pyrimidine derivative 4. Moreover, stirring of 2 with bromine/acetic acid gave thiazole 5 that was condensed with o-phenylene diamine forming benzimidazole 6. Heating of arylthiourea 8 with maleic anhydride or phenacyl chloride afforded thiazole derivatives 9 and 10, respectively. Condensation of compound 10 with o-phenylene diamine gave benzimidazole 11. Reaction of p-amino benzoic acid with chloro acetyl isothiocyanate, acetylacetone and ethylacetoacetate produced imidazole 14, enaminone 15 and crotonate 16 derivatives, respectively. Stirring a mixture of benzoyl isothiocyanate with 15 and/or 16 resulted in pyridine-2-thione 17. The yields of the prepared compounds were 41–93%. The experimental section is simple and easy. The detailed synthesis, spectroscopic data, IC₅₀ and antitumor activity of the synthesized compounds were reported. The cytotoxicity of the newly synthesized products showed that compound 4 is the most active compound towards the cancer cell line at which its reactivity is higher than that of the standard doxorubicin (anticancer reference drug).     

Solitary wave solution of the generalized Hirota–Satsuma coupled KdV system

In this research, we find the exact traveling wave solutions involving parameters of the generalized Hirota–Satsuma couple KdV system according to the modified simple equation method with the aid of Maple 16. When these parameters are taken special values, the solitary wave solutions are derived from the exact traveling wave solutions. It is shown that the modified simple equation method provides an effective and a more powerful mathematical tool for solving nonlinear evolution equations in mathematical physics. Comparison between our results and the well-known results will be presented.