Ab initio study of structural,electronic and dynamical properties of MgAuSn

The structural and electronic properties of MgAuSn in the cubic AlLiSi structure have been studied, using density functional theory within the local density approximation. The calculated lattice constant for MgAuSn is found to be in good agreement with its experimental value. Our calculated electronic structure is also compared in detail with a recent tight-binding. A linear-response approach to density-functional theory is used to calculate the phonon spectrum and density of states for MgAuSn.     

On the Dirichlet Problem for the Nonlinear Diffusion Equation in Non-smooth Domains

We study the Dirichlet problem for the parabolic equation u_t = Δu^m, m > 0, in a bounded, non-cylindrical and non-smooth domain Ω ^{N + 1}, N ≥ 2. Existence and boundary regularity results are established. We introduce a notion of parabolic modulus of left-lower (or left-upper) semicontinuity at the points of the lateral boundary manifold and show that the upper (or lower) Hölder condition on it plays a crucial role for the boundary continuity of the constructed solution. The Hölder exponent is critical as in the classical theory of the one-dimensional heat equation u_t = u_xx.     

The Removal of Zn(II) Through Calix[4]Recorcinarene Derivative Based Polymer Inclusion Membrane From Aqueous Solution

In the present work, the transport of Zn(II) metal ion from an aqueous nitrate solution of different metal ions through a polymer inclusion membrane (PIM) containing calix[4]resorcinarene derivative used as a carrier were investigated. Zn(II)metal ion showing high permeability were transported through PIMs prepared from cellulose triacetate (CTA) as a polymeric support material and 2-NPOE as a plasticizer. Total Zn(II) concentration was determined with an Atomic Absorption Spectrometer (AAS) in the acceptor phase. The prepared PIM and supported liquid membrane (SLM) were characterized by using Scanning Electron Microscopy(SEM) and Atomic Force Microscopy (AFM) techniques. The effects of membrane composition, effects of type of plasticizer in the membrane, effects of carrier concentration, and the thickness of the membranes were examined in the facilitated transport experiments of Zn(II) ion through PIM. We compared the performance of SLM experiments under the optimum conditions identified by the PIM studies. Higher permeability coefficient values for Zn(II) was found for SLM, while lower values were ascertained for PIM. The kinetic parameters which have been calculated as the constant rate (k), permeability coefficient (P), flux (J) and diffusion coefficient (D).     

Electrochemical Investigations of the Anticancer Drug Idarubicin Using Multiwalled Carbon Nanotubes Modified Glassy Carbon and Pyrolytic Graphite Electrodes

The effect of surface modifications on the electrochemical behavior of the anticancer drug idarubicin was studied at multiwalled carbon nanotubes modified glassy carbon and edge plane pyrolytic graphite electrodes. The surface morphology of the modified electrodes was characterized by scanning electron microscopy. The modified electrodes were constructed for the determination of idarubicin using adsorptive stripping differential pulse voltammetry. The experimental parameters such as supporting electrolyte, pH, accumulation time and potential, amount of carbon nanotubes for the sensitive assay of idarubicin were studied as details. Under the optimized conditions, idarubicin gave a linear response in the range 9.36×10^?8–1.87×10^?6 M for modified glassy carbon and 9.36×10^?8–9.36×10^?7 M for modified edge plane pyrolytic graphite electrodes. The detection limits were found as 1.87×10^?8 M and 3.75×10^?8 M based on modified glassy carbon and edge plane pyrolytic graphite electrodes, respectively. Interfering species such as ascorbic acid, dopamine, and aspirin showed no interference with the selective determination of idarubicin. The analyzing method was fully validated and successfully applied for the determination of idarubicin in its pharmaceutical dosage form. The possible oxidation mechanism of idarubicin was also discussed. The results revealed that the modified electrodes showed an obvious electrocatalytic activity toward the oxidation of idarubicin by a remarkable enhancement in the current response compared with bare electrodes.     

Synthesis of a new stable peristatic chiral pseudocryptand for simultaneous binding of boron and sodium

A new selective molecular receptor, borocryptate, based on the combination of the 15 membered ring diazatrioxa core and two saligenin units as binding sites for boron has been described. The resulting peristatic chiral compound is stable in air and easily converted to polynuclear complex, Na‐borocryptate, without using an inert atmosphere.     

LC-HRMS Profiling and Antidiabetic,Anticholinergic, and Antioxidant Activities of Aerial Parts of Kınkor (Ferulago stellata)

Kınkor (Ferulago stellata) is Turkish medicinal plant species and used in folk medicine against some diseases. As far as we know, the data are not available on the biological activities and chemical composition of this medicinal plant. In this study, the phytochemical composition; some metabolic enzyme inhibition; and antidiabetic, anticholinergic, and antioxidant activities of this plant were assessed. In order to evaluate the antioxidant activity of evaporated ethanolic extract (EEFS) and lyophilized water extract (WEFS) of kınkor (Ferulago stellata), some putative antioxidant methods such as DPPH· scavenging activity, ABTS^•+ scavenging activity, ferric ions (Fe³⁺) reduction method, cupric ions (Cu²⁺) reducing capacity, and ferrous ions (Fe²⁺)-binding activities were separately performed. Furthermore, ascorbic acid, BHT, and α-tocopherol were used as the standard compounds. Additionally, the main phenolic compounds that are responsible for antioxidant abilities of ethanol and water extracts of kınkor (Ferulago stellata) were determined by liquid chromatography-high-resolution mass spectrometry (LC-HRMS). Ethanol and water extracts of kınkor (Ferulago stellata) demonstrated effective antioxidant abilities when compared to standards. Moreover, ethanol extract of kınkor (Ferulago stellata) demonstrated IC₅₀ values of 1.772 μg/mL against acetylcholinesterase (AChE), 33.56 ± 2.96 μg/mL against α-glycosidase, and 0.639 μg/mL against α-amylase enzyme respectively.     

A study on composite catalytic membrane manufacturing based on sodium alginate and lipase to be used in a pervaporation reactor

Research on Chemical Intermediates - A lipase-immobilized dense sodium alginate membrane was prepared and used for the esterification of ethyl alcohol and lactic acid in a pervaporation reactor...     

A Robust Analytical Approach for the Identification of Specific Protein Carbonylation Sites: Metal-Catalyzed Oxidations of Human Serum Albumin

The formation of protein carbonyls in the metal-catalyzed oxidation of human serum albumin (HSA) is characterized using a new analytical approach that involves tagging the modification site with multiple hydrazide reagents. Protein carbonyl formation at lysine and arginine residues was catalyzed with copper and iron ions, and the resulting oxidation patterns in HSA are contrasted. A total of 18 modification sites were identified with iron-ion catalysis and 14 with copper-ion catalysis. However, with the more stringent requirement of identification with at least two tagging reagents, the number of validated modification sites drops to 10 for iron and nine for copper. Of the 14 total validated sites, there were only five in common for the two metal ions. The results illustrate the value of using multiple tagging agents and highlight the selective and specific nature of metal-catalyzed protein oxidations.     

137Cs and 40K activity concentration measurements and elemental analysis in lichen samples collected from the Giresun province of northeastern Turkey

About 21 years after the Chernobyl accident, ¹³⁷Cs and ⁴⁰K activity concentration measurements using gamma-ray spectroscopy and elemental analysis using energy dispersive X-ray spectroscopy were performed in five different lichen species collected from the Giresun province of northeastern Turkey. Being a symbiosis of algae and fungi, lichens are mostly used for environmental measurements since the fungal partner is responsible for the uptake of necessary nutrients or harmful substances, such as heavy metals of radionuclides. The gamma activity results showed that ¹³⁷Cs, an artificial radionuclide released from the Chernobyl power plant accident, is still eminent in the environment of the province. The mean activity concentrations of ¹³⁷Cs and ⁴⁰K ranged from 24 to 254 with the mean value of 102 Bq kg^?1 and from 345 to 2103 with the mean value of 1143 Bq kg^?1 in dry weight. The results of the elemental analyses showed potassium, calcium, titanium, iron, tin, and barium in different concentrations.     

Diffusion energies of oxygen diffusing into polystyrene (PS)/poly (N‐isopropylacrylamide) composites

Diffusion coefficient of oxygen penetrating into polystyrene (PS) latex/poly (N‐isopropylacrylamide) (PNIPAM) microgel composite films were measured using Fluorescence technique. Three different (5, 15, and 40 wt%) PS content films were prepared from PS/PNIPAM mixtures. Diffusivity of PS/PNIPAM composite films were studied by diffusion measurements which were performed over the temperature range of 24–70°C. Pyrene was used as the fluorescent probe. The diffusion coefficients (D) of oxygen were determined using the Stern–Volmer fluorescence quenching method combined with Fickian transport and were computed as a function of temperature for each PS content film. The results showed that D values were strongly dependent on both temperature and PS content in the film. Diffusion energies were measured and found to be dependent on the composition of the composite films. Copyright © 2011 John Wiley & Sons, Ltd.