New 5-bromo-2-hydroxybenzaldehyde S-ethylisothiosemicarbazone and its mixed-ligand Cu(II) complex with imidazole: synthesis, characterization and DFT calculation

A new Schiff base ligand of 5-bromo-2-hydroxybenzaldehyde S-ethyl-isothiosemicarbazone (H₂L) was synthesized and its mixed-ligand Cu(II) complex was also prepared by reaction of Cu(NO₃)₂·3H₂O with H₂L and imidazole. Their structures were fully characterized by elemental analysis, FT-IR, molar conductivity and UV-Vis methods. The analytical data suggest that the metal, H₂L and imidazole ratios in the Schiff base complex are 1:1:1. Single crystal diffraction was also used to better understand the molecular structure of the Cu(II) complex. The results of physico-chemical analyses of the Schiff base complex reveal the coordination geometry around the central atom is square planar. The H₂L ligand (NNO donor) is coordinated to the metal center as a tridentate bionegatively agent. Another position of the square planar geometry is occupied by the imidazole ligand. Furthermore, computational studies of the new complex were performed by carrying out DFT calculations. Geometry optimization and natural band analysis of the complex is discussed in further detail.      

Determination of Hg(II) in Environmental Water Samples Using DLLME Method Prior to GC-FID

Mercury exists in two forms in environment, inorganic salts and organic compounds. Determination of mercury is very important, due to its health effects. In the present research, diphenylation of mercury using phenylboronic acid as a derivatization reagent was used for the determination of Hg(II) in real water samples. A simple, rapid and cheap method named dispersive liquid–liquid microextraction was used for the extraction of analyte under the following conditions: extraction solvent 16 μL of carbon tetrachloride, disperser solvent 1 mL of ethanol and sample volume 5 mL. Under the optimal conditions, the enrichment factor for diphenylmercury was 931 and the limit of detection calculated on the basis of five replicates was 0.004 μg mL^?1. The repeatability of the method expresses as relative standard deviation was 5.1 (n = 6). The linear range was between 0.01 and 10 μg mL^?1. The performance of the proposed technique was evaluated for the determination of mercury in different environmental water samples.     

Enantioselective synthesis of spiro[4H-pyran-3,3′-oxindole] derivatives catalyzed by cinchona alkaloid thioureas: Significant water effects on the enantioselectivity

An efficient stereoselective three-component reaction for the synthesis of functionalized spiro[4H-pyran-3,3′-oxindole] derivatives was realized through an organocatalyzed domino Knoevenagel/Michael/cyclization reaction using a cinchonidine-derived thiourea as the catalyst. Using water as the additive was found to improve the product ee values significantly. Under the optimized conditions, the reactions between isatins, malononitrile, and 1,3-dicarbonyl compounds yield the desired spirooxindole products in good yields (71–92%) and moderate to high ee values (up to 87% ee).     

Efficient One‐Pot Four‐Component Synthesis and X‐ray Crystallographic Structure of 2‐Pyridone Derivatives

A series of 3‐cyano‐2‐pyridone derivatives were synthesized by one‐pot four‐component condensation reaction involving a benzaldehyde derivative, alkyl cyanoacetate, acyclic or cyclic ketones, and ammonium acetate in reflux condition. The X‐ray structure of the products 5a and 5d confirm symmetric dimers via hydrogen bonding interactions between individual pyridine molecules showing, in addition, also π–π stacking interactions.     

New polypyrrole–carbon nanotubes–silicon dioxide solid‐phase microextraction fiber for the preconcentration and determination of benzene,toluene, ethylbenzene,and o‐xylene using gas liquid chromatography

For the first time, a polypyrrole–carbon nanotubes–silicon dioxide composite film coated on a steel wire was prepared by an electrochemical method. Scanning electron microscopy images showed that this composite film was even and porous. The prepared fiber was used as an absorbent for the headspace solid‐phase microextraction of benzene, toluene, ethylbenzene, and o‐xylene, followed by gas chromatographic analysis. This method presented an excellent performance, which was much better than that of a polypyrrole–carbon nanotube fiber. It was found that under the optimized conditions, the linear ranges were 0.01–200 ng/mL with correlation coefficients >0.9953, the detection limits were 0.005–0.020 ng/mL, the relative standard deviations were 3.9–6.4% for five successive measurements with a single fiber, and the reproducibility was 5.5–8.5% (n = 3). Finally, the developed method was successfully applied to real water samples, and the relative recoveries obtained for the spiked water samples were from 91.0 to 106.7%.     

Ionic‐liquid‐mediated poly(dimethylsiloxane)‐ grafted carbon nanotube fiber prepared by the sol–gel technique for the head space solid‐phase microextraction of methyl tert‐butyl ether using GC

A headspace solid‐phase microextraction method was developed for the preconcentration and extraction of methyl tert‐butyl ether. An ionic‐liquid‐mediated multiwalled carbon nanotube–poly(dimethylsiloxane) hybrid coating, which was prepared by covalent functionalization of multiwalled carbon nanotubes with hydroxyl‐terminated poly(dimethylsiloxane) using the sol–gel technique, was used as solid‐phase microextraction adsorbent. This innovative fiber exhibited a highly porous surface structure, high thermal stability (at least 320°C) and long lifespan (over 210 uses). Potential factors affecting the extraction efficiency were optimized. Under the optimum conditions, the method LOD (S/N = 3) was 0.007 ng/mL and the LOQ (S/N = 10) was 0.03 ng/mL. The calibration curve was linear in the range of 0.03–200 ng/mL. The RSDs for one fiber (repeatability, n = 5) at three different concentrations (0.05, 1, and 150 ng/mL) were 5.1, 4.2, and 4.6% and for the fibers obtained from different batches (reproducibility, n = 3) were 6.5, 5.9, and 6.3%, respectively. The developed method was successfully applied to the determination of methyl tert‐butyl ether in different real water samples on three consecutive days. The relative recoveries for the spiked samples with 0.05, 1, and 150 ng/mL were between 94–104%.     

Influence of polymeric coating on capillary electrophoresis of iron oxide nanoparticles

In this work, electrophoresis was successfully used to separate three different polymer-coated magnetic iron oxide nanoparticles with similar sizes (nominally 50 nm) using high-pH borate buffer system. The coating polymers were dextran, polyethylene glycol, or carboxymethyl dextran. The results showed that the migration time of carboxymethyl dextran coated nanoparticles is the longest due to relatively more negative surface charges. Investigation of the effects of buffer concentration, pH, electric field strength and the capillary temperature, on electrophoretic properties of samples was also carried out. The results showed that pH, electric field strength and the capillary temperature had indirect relations with both of the migration time and the separation resolution of three different polymer-coated nanoparticles while the buffer concentration had a direct relation.     

The Quenching and Sonication Effect on the Mechanical Strength of Silver Nanowires Synthesized Using the Polyol Method

This study aims to determine the effect of fast cooling (quenching) on thermal properties, mechanical strength, morphology and size of the AgNWs. The synthesis of AgNWs was carried out at three different quenching-medium temperatures as follows: at 27 °C (ambient temperature), 0 °C (on ice), and −80 °C (in dry ice) using the polyol method at 130 °C. Furthermore, the AgNWs were sonified for 45 min to determine their mechanical strength. Scanning electron microscopy analysis showed that the quenched AgNWs had decreased significantly; at 27 °C, the AgNWs experienced a change in length from (40 ± 10) to (21 ± 6) µm, at 0 °C from (37 ± 8) to (24 ± 8) µm, and at −80 °C from (34 ± 9) to (29 ± 1) µm. The opposite occurred for their diameter with an increased quenching temperature: at 27 °C from (200 ± 10) to (210 ± 10) nm, at 0 °C from (224 ± 4) to (239 ± 8) nm, and at −80 °C from (253 ± 6) to (270 ± 10) nm. The lower the temperature of the quenching medium, the shorter the length and the higher the mechanical strength of AgNWs. The UV-Vis spectra of the AgNWs showed peak absorbances at 350 and 411 to 425 nm. Thermogravimetric analysis showed that AgNWs quenched at −80 °C have better thermal stability as their mass loss was only 2.88%, while at the quenching temperatures of 27 °C and 0 °C the mass loss was of 8.73% and 4.17%, respectively. The resulting AgNWs will then be applied to manufacture transparent conductive electrodes (TCEs) for optoelectronic applications.     

Fluid Flow Analysis of Integrated Porous Bone Scaffold and Cancellous Bone at Different Skeletal Sites: In Silico Study

The dynamic characteristic of bone is its ability to remodel itself through mechanobiological responses. Bone regeneration is triggered by mechanical cues from physiological activities that generate structural strain and cause bone marrow movement. This phenomenon is crucial for bone scaffold when implanted in the cancellous bone as host tissue. Often, the fluid movement of bone scaffold and cancellous bone is studied separately, which does not represent the actual environment once implanted. In the present study, the fluid flow analysis properties of bone scaffold integrated into the cancellous bone at different skeletal sites are investigated. Three types of porous bone scaffolds categorized based on pore size configurations: 1 mm, 0.8 mm and hybrid (0.8 mm interlaced with 0.5 mm) were used. Three different skeletal sites of femoral bone were selected: neck, lateral condyle and medial condyle. Computational fluid dynamics was utilized to analyze the fluid flow properties of bone scaffold integrated cancellous bone. The results of this study reveal that the localization and maximum value of shear stress in an independent bone scaffold are significantly different compared to the bone scaffold integrated with cancellous bone by about 160% to 448% percentage difference. Low shear stress and high permeability were found across models that have higher Tb.Sp (trabecular separation). Specimen C and femoral lateral condyle showed the highest permeability in their respective category.

     

The integrable Boussinesq equation and it’s breather,lump and soliton solutions

The fourth-order nonlinear Boussinesq water wave equation, which explains the propagation of long waves in shallow water, is explored in this article. We used the Lie symmetry approach to analyze the Lie symmetries and vector fields. Then, by using similarity variables, we obtained the symmetry reductions and soliton wave solutions. In addition, the Kudryashov method and its modification are used to explore the bright and singular solitons while the Hirota bilinear method is effectively used to obtain a form of breather and lump wave solutions. The physical explanation of the extracted solutions was shown with the free choice of different parameters by depicting some 2-D, 3-D, and their corresponding contour plots.