Synthesis of 2-(4-amino substituted benzylidene) indanone analogues from aromatic nucleophilic substitution (SNAr) reaction

A novel, efficient and convenient procedure has been developed for the synthesis of 2-(4-amino-substituted benzylidene)indanone derivatives. In the first step, the reaction of 4-fluorobenzaldehyde with 5, 6-dimethoxy-2, 3-dihydro-1H-inden-1-one in the presence of NaOH in EtOH was described. In the next step, a variety of aliphatic and aromatic amines were reacted with 2-(4-fluorobenzylidene)-5, 6-dimethoxy-2, 3-dihydro-1H-Inden-1-one via aromatic substitution (S_NAr) reaction to produce 2-(4-aminobenzylidene)-5, 6-dimethoxy-2, 3-dihydro-1H-Inden-1-one derivatives as a novel class of 1-indanones. These products have been successfully prepared in good to excellent yields. ^1?H and ^13?C NMR, FT-IR spectroscopy and CHN analysis supported the proposed structures of the products.     

Determination and mathematical modelling of budesonide solubility in N-methyl-2-pyrrolidone + water mixtures from T = 293.2 to 313.2 K

The solubilities of budesonide (BDS) in binary aqueous mixtures of N-methyl-2-pyrrolidone at temperatures ranging from 293.2 to 313.2 K were determined and mathematically correlated by three cosolvency models, i.e. Jouyban–Acree model, Jouyban–Acree–van’t Hoff model and modified Wilson model. The solubilities were measured using the shake-flask method and the models wereused to fit the solubility data of BDS in the solvent mixtures. The obtained mean relative deviations (MRDs %) for cosolvency models trained using whole data points varied between 5.0% and 31.0%. Solubilities were also predicted by the generally trained version of the Jouyban–Acree model with the MRD of 37.0%. Furthermore, the apparent thermodynamic properties of dissolution process of BDS in all the mixed solvents were calculated according to van’t Hoff and Gibbs equations. Dissolution of BDS in these mixed solvents is an endothermic process.     

Fabrication and development of interfacial polymerized thin-film composite nanofiltration membrane using different surfactants in organic phase; study of morphology and performance

The effects of addition of cationic cetyltrimethylammonium bromide (CTAB), non-ionic (Triton X-100) and anionic sodium dodecyl sulfate (SDS) surfactants in organic phase for preparing the composite nanofiltration membranes were investigated. The interfacial polymerization technique was employed by applying trimesoyl chloride (TMC) and piperazine (PIP) as the reagents for the preparation of poly(piperazineamide) on a UF support. The obtained thin layer membranes were placed in oven for 2 min at 70 °C. Water permeation performance, salt rejection, membrane surface charge, chemical structure and membrane morphology including top surface and cross-section were investigated for characterization of the prepared membranes using IR-ATR, SEM, filtration and zeta potential measurement. The prepared membranes using SDS showed higher flux compared to the other membranes. SEM surface images demonstrate some defects and cracks on the thin layer surface of the membrane prepared with SDS. For membrane containing CTAB, the salt rejection increased in the order of Na₂SO₄ > NaCl > MgCl₂ with variation around 50–90%.     

Isophorone‐based organometallic chromophores: Synthesis,characterization and investigation of electro‐optical properties

A series of hybrid donor–acceptor complexes with a ferrocene moiety and isophorone derivatives were synthesized. Data from ¹H NMR, ¹³C NMR, Fourier transform infrared, atomic absorption and mass spectroscopies and CHN analysis supported the predicted structure of the products. A comparative investigation was performed using UV–visible, cyclic voltammetry and fluorescence measurements. Density functional theory was used to optimize the chromophore structure and calculation of highest occupied and lowest unoccupied molecular orbital energy levels. The ferrocene/isophorone hybrids show useful properties for further development and studies as electro‐optic materials.     

Thermoelectric effects through weakly coupled double quantum dots

The electrical conductance, the thermal conductance, the thermopower and the thermoelectrical figure of merit are analyzed through a double quantum dot system weakly coupled to metal electrodes, by means of density matrix approach. The effects of interdot tunneling, intra- and interdot Coulomb repulsions on the figure of merit are examined. Results show that increase of interdot tunneling gives rise to a reduction in figure of merit. On the other hand, increase of Coulomb repulsion results in enhancement of figure of merit because of reduce of bipolar effect.     

A new approach toward modeling of mixed-gas sorption in glassy polymers based on metaheuristic algorithms

Modeling mixed-gas sorption has always been associated with computational challenges due to the existence of two or more conflicting objective functions. This study aims to use an artificial intelligence approach toward modeling mixed-gas sorption in PIM-1 and TZ-PIM polymeric membranes. Non-dominated sorting genetic algorithm (NSGA-II) has been applied to identify the extended Henry-Langmuir (EHL) isotherm based on CO₂-CH₄ mixed-gas sorption data. Also, the group method of data handling (GMDH) neural network is implemented to obtain a formula for the calculation of equilibrium partial pressure corresponding to three effective parameters, which are easily measurable. The formula provides an accurate estimation from the equilibrium relationship between the partial pressure of each gas in the binary gas mixtures over the PIM-1 and TZ-PIM membranes. Eventually, the calculated coefficients of EHL isotherm and obtained formula for computing the partial pressure of each component are simultaneously applied into the isotherm model to predict the mixed-gas sorption behavior. The results showed that the computed lines well reproduce the experimental data points, proving that the applied artificial intelligence approach offers a suitable approximation for mixed-gas sorption.     

Star-Shaped Ferrocene-Based 1,4-Disubstituted-1,2,3-Triazole Derivatives: Synthesis,Characterization, and Investigation of Linear Optical and Electrochemical Properties

In this study, the star-shaped ferrocene-based 1,4-disubstituted-1,2,3-triazole derivatives were designed and synthesized via Huisgen reaction. For this purpose, the [3 + 2] cycloaddition reaction between multi-(4-azidobutyl) substituted ferrocene derivatives and ethynylferrocene was carried out in the presence of CuSO₄.5H₂O as Cu (I) source and ascorbic acid as reluctant for convert the Cu (II) to Cu (I). The optical and electrochemical properties of the final dendrimer-like ferrocenyl derivatives were evaluated using UV–vis spectroscopy (UV–vis) and cyclic voltammetry (CV) techniques, respectively. The linear relationship between the cathodic and anodic peak currents and the square root of the scan rate was indicated the diffusion-limited mechanism for the redox process. Furthermore, ferrocene-based 1,4-disubstituted-1,2,3-triazole derivatives show good electrochemical behavior (the CV and DPV technique) when immobilized on glassy carbon electrode surface using Nafion. In addition, the quantum chemistry study was performed on the synthesized compounds with the DFT approach. The B3LYP/6-31G(d) method was applied to do TD-DFT calculations due to its good agreement with experimental data for prediction of UV–Vis spectra.     

Electrochemical Sensor Based on Nitrogen Doped Porous Reduced Graphene Oxide to Detection of Ciprofloxacin in Pharmaceutical Samples

Russian Journal of Electrochemistry - Fluoroquinolone ciprofloxacin (Cip) is an antibiotic used to treat some bacterial infections such as bone, joint, respiratory tract, skin, typhoid fever and...