Numerical solution of nonlinear partial quadratic integro‐differential equations of fractional order via hybrid of block‐pulse and parabolic functions

In this paper, an effective numerical approach based on a new two‐dimensional hybrid of parabolic and block‐pulse functions (2D‐PBPFs) is presented for solving nonlinear partial quadratic integro‐differential equations of fractional order. Our approach is based on 2D‐PBPFs operational matrix method together with the fractional integral operator, described in the Riemann–Liouville sense. The main characteristic behind this approach is to reduce such problems to those of solving systems of algebraic equations, which greatly simplifies the problem. By using Newton's iterative method, this system is solved, and the solution of fractional nonlinear partial quadratic integro‐differential equations is achieved. Convergence analysis and an error estimate associated with the proposed method is obtained, and it is proved that the numerical convergence order of the suggested numerical method is O(h³) . The validity and applicability of the method are demonstrated by solving three numerical examples. Numerical examples are presented in the form of tables and graphs to make comparisons with the exact solutions much easier.     

New ent-kaurane diterpenoid dimer from Pulicaria inuloides

A new naturally occurring ent-kaurane diterpenoid dimer, 15β, 15′β-oxybis (ent-kaur-16-en-19-oic acid) (1) along with six known compounds, 15β-hydroxy-ent-kaur-16-en-19-oic acid (2), 15β-hydroxy-ent-kaur-16-en-19-oate-β-d-glucopyranoside (3), 6-hydroxykaempferol-3, 7-dimethyl ether (4), quercetagetin 3, 7, 3′-trimethyl ether (5), β-sitosterol (6) and β-sitosterol glucoside (daucosterol) (7) were isolated from the aerial parts of Pulicaria inuloides DC. Compounds 2–5 were isolated for the first time from genus Pulicaria. The structures of compounds 1–7 were established on the basis of extensive 1D and 2D NMR spectroscopic techniques in combination with ESI-MS. The antimicrobial activity of the isolated compounds was evaluated against Staphylococcus aureus, Escherichia coli and Candida albicans. Sulphorhodamine B cytotoxic assay against HepG2 (liver cancer) cell line and ABTS antioxidant assay were carried out.     

Inclusion complexes of cryptophane-E with dichloromethane and chloroform: A thermodynamic and kinetic study using the 1D-EXSY NMR method

Complexation equilibria and kinetics of exchange of chloroform and dichloromethane molecules between the cavity of cryptophane-E and bulk solution were investigated using NMR methods. Using one-dimensional magnetization transfer (1D-EXSY type sequence), chemical exchange rates were measured in different temperature ranges, limited by the equilibrium constant values of the complexes and the boiling points of the guest substances. From the kinetic data, activation energies were calculated using the Arrhenius equation. From the temperature-dependence of the association constant data, the enthalpy and entropy of complexation were estimated and compared with values for similar complexes of other cryptophanes.     

Determination of ticagrelol in rat plasma and tablets by micellar electrokinetic chromatography coupled with large volume sample stacking: Application to a pharmacokinetic study

A method using micellar electrokinetic chromatography coupled with large-volume sample stacking for the determination of ticagrelol was developed and validated. The analysis was performed in a fused silica capillary (41.5 cm effective length, 50 μm diameter) with ultraviolet detection at 195 nm. The background electrolytes were 30 mM phosphate buffer of pH 3.0 with 120 mM sodium dodecylsulfate and 10 % (v/v) acetonitrile (120 s X 50 mbar; 20°C; -18 kV) and 30 mM borate buffer of pH 8.5 with 75 mM sodium dodecylsulfate (120 s X 50 mbar; 20°C; 25 kV); under acidic and alkaline conditions, respectively. The method was found to be reliable with respect to specificity, linearity of the calibration line (R² > 0.99), repeatability (relative standard deviation 2.56%–3.34%), and accuracy (recovery in the range 101.21%–102.67%). The limits of detection and quantitation were 0.032, 0.071, and 0.087, 0.188 μg/mL, respectively. The method was successfully applied for the determination of ticagrelol concentrations in rat plasma and tablets with good recoveries and reproducibility. The presented method proved to be suitable for monitoring ticagrelor in rat plasma.     

Design and synthesis of new 2-substituted-5-[2-(2-halobenzyloxy)phenyl]-1,3,4-oxadiazoles as anticonvulsant agents

A new series of 2-substituted-5-[2-(2-halobenzyloxy)phenyl]-1,3,4-oxadiazoles was designed and synthesized as anticonvulsant agents. Electroshock and pentylenetetrazole-induced lethal convulsion tests showed that the introduction of an amino group at position 2 of 1,3,4-oxadiazole ring and a fluoro substituent at ortho position of benzyloxy moiety had the best anticonvulsant activity. Our results showed that this effect is mediated through benzodiazepine receptors mechanism.     

Preparation of immobilized hexamine on Fe3O4/SiO2 core/shell nanoparticles: a novel catalyst for solvent-free synthesis of bis(indolyl)methanes

Research on Chemical Intermediates - Hexamethylenetetramine covalently immobilized on silica-coated magnetic nanoparticles is prepared and characterized by XRD, FT-IR, SEM, and VSM. According to...     

All-solid-state Cr(III)-selective potentiometric sensor based on Cr(III)-imprinted polymer nanomaterial/MWCNTs/carbon nanocomposite electrode

A novel potentiometric sensor, based on carbon paste electrode (CPE), modified with ion-imprinted polymer (IIP) and multi-walled carbon nanotubes (MWCNTs), is introduced for detection of chromium (III). The IIP nanomaterial was synthesised and characterised by using scanning electron microscopy and Fourier Transform Infrared. The modification of the CPE with the IIP (as a ionophore) resulted in an all-solid-state Cr(III)-selective sensor. However, the presence of appropriate amount of MWCNTs in the electrode composition was found to be necessary to observe Nernstian response. The optimised electrode composition was 76.7% graphite, 14.3% binder, 5% IIP, and 4% CNT. The proposed sensor exhibited Nernstian slope of 20.2 ± 0.2 mV decade^?1 in the working concentration range of 1.0 × 10^?6?1.0 × 10^?1 mol L^?1 (52 µg L^?1–5.2 g L^?1), with a detection limit of 5.9 × 10^?7 mol L^?1 (30.68 µg L^?1) and a fast response time of less than 40 s. It displayed a stable potential response in the pH range of 2–5. It exhibited also high selectivity over some interfering ions. The proposed sensor was successfully applied for the determination of Cr(III) in real samples (sea, river water and soil).     

Application of chemometric methods in modeling of competitive multidye biosorption from ternary system

Simultaneous biosorption properties of three cationic dyes (Methylene blue, Crystal violet and Safranin) on Sargassum glaucescens were studied. In the most of previous papers in the field of dye biosorption, one dye or dyes with nearly separate spectra were used and dye concentration was determined by Beer’s law at different λ _max. Significant of this study is application of dyes with highly overlapped spectra (as many real situations) that their concentrations can be determined by chemometric methods. Plackett–Burman design was applied to identify the most significant factors, Box–Behnken design was used to determine optimal conditions, and principal component-wavelet neural network was used for the simultaneous determination of dye concentrations in ternary solutions. The optimum biosorption conditions were determined as dye concentration 10^?4 mol L^?1, biosorbent dosage 0.1 g L^?1 and biosorbent particle size 0.188 µm. At this condition, maximum biosorption capacity was 0.80 mmol g^?1. The biosorption process was slightly slower in the ternary system comparing with single system which was related to competition phenomena between dyes. It was found that the overall biosorption data were described by the pseudo-second-order kinetic model. Fourteen isotherm models were applied to experimental data, and it was concluded that Hill model had the best correlation.     

Chloro/bromotrimethylsilane-Cu(NO3)2·3H2O: Safe and efficient reagent system for the decarboxylative ipso-nitration and dibromination of cinnamic acids

Further synthetic potential of halotrimethylsilane-nitrate salt mixture is revealed. A mixture of TMSX-Cu(NO₃)₂·3H₂O system is found to be an efficient reagent system for both the decarboxylative nitration (ipso-nitration) when X = Cl, and dibromination of cinnamic acids, with X = Br, under mild conditions. The reactions are safe and simple, affording the corresponding products (E)-β-nitrostyrenes, and anti-2,3-dibromo-3-phenylpropanoic acids in high yields with high selectivity in a relatively short time. Use of hazardous and toxic nitrating systems such as acetyl nitrate and brominating agents such as molecular bromine can be avoided.