Selective synthesis of 2,6-triad dimethylnaphthalene isomers by disproportionation of 2-methylnaphthalene over mesoporous MCM-41

2,6-Dimethylnaphthalene (2,6-DMN) is one of the crucial intermediates for the synthesis of polybutylenenaphthalate and polyethylene naphthalate (PEN). The complex synthesis procedure and the high cost of 2,6-DMN production significantly reduce the commercialisation of PEN even though PEN demonstrates superior properties compared with polyethylene terephthalate. 2,6-DMN can be produced by methylation of 2-methylnaphthalene (2-MN) and/or naphthalene, disproportionation of 2-MN, and/or isomerisation of dimethylnaphthalenes (DMNs). In this study, synthesis of 2,6-triad DMN isomers consisting of 2,6-DMN, 1,6-DMN, and 1,5-DMN have been investigated with the disproportionation of 2-MN over unmodified and Zr-modified mesoporous MCM-41 zeolite catalysts. In contrast to other DMN isomers, both 1,5-DMN and 1,6-DMN can be effectively isomerised to be profitable 2,6-DMN. The disproportionation of 2-MN experiments were carried out in a catalytic fixed-bed reactor in the presence of 1 g of catalyst at a temperature range of 350–500 °C and weight hourly space velocity between 1 to 3 h^?1. The results demonstrated that mesoporous MCM-41 zeolite catalyst has a selective pore shape for 2,6-triad DMN isomers, which may allow a decrease in the production cost of 2,6-DMN. Additionally, 2,6-DMN was successfully synthesised by the disproportionation of 2-MN over MCM-41 zeolite catalyst. Furthermore, both the conversion of 2-MN and the selectivity of 2,6-DMN were considerably enhanced by the Zr impregnation on MCM-41.     

Synthesis in water-free DMF, characterization, electrical, and gas sensing properties of bis[2-(2-aminoethylamino)ethanol]copper(II) dibromide

2-(2-Aminoethylamino)ethanol (L) reacts with cupric bromide in dimethylformamide to give a mononuclear complex of Cu(II) [L₂Cu]Br₂, with six-coordinate distorted octahedral geometry, in which two molecules of tridentate (N,N,O) ligand are involved. The structure was confirmed by spectroscopic methods, elemental and thermogravimetric analyses, and magnetic measurements. Optimization of possible configurations indicated the formation of the trans structure of the complex. Experimental results indicate that the investigated complex, bis[2-(2-aminoethylamino)ethanol] copper(II) bromide, behaves as a semiconductor in the studied temperature range of 298–388 K. Gas sensing properties of the film for the volatile organic compounds (VOCs): acetone, tetra-chloromethane, chloroform, ethanol, and methanol, were also investigated as a function of vapor concentration and temperature in dark. The film showed maximum sensitivity to tetrachloromethane and ethanol vapors at room temperature. Responses of the film to the tested gases are reversible.     

Metal complexes of a homopolymer system containing diethanolamine side group: synthesis and dielectrical behaviors

In this work, 4-diethanolaminomethyl styrene (DEAMSt) monomer was prepared by modification of 4-chloromethyl styrene with diethanolamine. The homopolymerization of styrene modificated was carried out by free radical polymerization method at 60?°C in presence of 1,4-dioxane and AIBN. The metal complexes were prepared by reaction of the homopolymer used as ligand P(DEAMSt)L^l and Ni(II), Co(II) metal ions in presence of ethanol and dilute NaOH at 65?°C for 48?h in pH 6.

The structure of modificated monomer, homopolymer used as ligand and polymer-metal complexes were characterized by (FT-IR), ¹H-NMR, ¹³C-NMR, Raman spectroscopy tecniques, elemental analysis, SEM, XRD and magnetic measurements. Their geometric structures according to magnetic measurements of Co(II) and Ni(II) complexes were estimated that have a tetrahedral structure. P(DEAMSt)L^l polymer has a transition state between amorphous and crystalline, whereas metal complexes (Co(II) and Ni(II) are with a large crystal structure. The molecular weight of P(DEAMSt)L¹ homopolymer was determined by gel permeation chromatography (GPC). The glass transition temperature (Tg) of homopolymer was measured by differantial scanning calorimeter (DSC). The thermal behaviors of both ligand and polymer-metal complexes were investigated by thermogravimetric analysis (TGA) and (DTA). The results obtained were compared with each other. Then, the dielectrical measurements (dielectric constant, dielectric loss and conductivity) of the ligand and polymer-metal complexes were investigated as a function of temperature and frequency. The activation energies (Ea) of the ligand and metal complexes were determined from the conductivity measurements.     

MHD mixed convection in a nanofluid filled vertical lid-driven cavity having a flexible fin attached to its upper wall

Journal of Thermal Analysis and Calorimetry - In this study, fluid flow and heat transfer in a vertical lid-driven CuO–water nanofluid filled square cavity with a flexible fin attached to its...     

Simultaneous Determination of Chromium Species in Water and Plant Samples at Trace Levels by Ion Chromatography–Inductively Coupled Plasma-Mass Spectrometry

Ion chromatography–inductively coupled plasma-mass spectrometry (IC–ICP-MS) was used for the identification and quantification of chromium species. Chromium(III) and chromium(VI) were separated and determined by IC–ICP-MS. The separation was achieved using an anion exchange column with 0.55?M HNO₃ as mobile phase. It was a particular goal of this work to exclusively use nitric acid for elution in order to reduce interferences in the ICP-MS system. Analytical figures of merit were calculated under the optimum conditions by developing calibration plots in a concentration range of 0.50–250?µg/L for both species. The detection limits for Cr(III) and Cr(VI) were 0.09 and 0.03?µg/L, respectively. Spiked recovery tests were used to evaluate the applicability of the analytical method in environmental samples, and the recoveries ranged between 97 and 103% for both analytes. The accuracy of the method for total chromium content was validated through the analysis of a spring water-certified reference material (UME 1201), and the obtained results were in good agreement with the certified value. Lettuce seedlings were cultivated to evaluate the intake levels of these species. In addition, the bioaccessibility of Cr(III) and Cr(VI) from the lettuce seedlings in simulated gastric and intestinal fluids media was examined.     

Synthesis, characterization and biological evaluation of a novel Cu(II) complex with the mixed ligands 2,6-pyridinedicarboxylic acid and 2-aminopyridine

A novel bridged binuclear Cu(II) complex with mixed ligands, di-μ-(2-aminopyridine(N,N′))-bis[(2,6-pyridinedicarboxylate)aquacopper(II)] tetrahydrate, formulated as [Cu(μ-ap)(dipic)(H₂O)]₂·4H₂O (1) (dipic = 2,6-pyridinedicarboxylate, ap = 2-aminopyridine), has been synthesized and characterized by elemental, spectral (IR and UV–Vis.), thermal analysis, magnetic measurements and single crystal X-ray diffraction analysis. The central Cu(II) ion resides on a centre of symmetry in a distorted square-pyramid coordination environment comprising of two N atoms, one from dipic and one from the ap ring, two carboxylate O atoms from dipic, and one O atom from water. Intermolecular N–HO and O–HO hydrogen bonds and π–π stacking interactions seem to be effective in the stabilization of the crystal structure. The free ligands and the complex were also evaluated for their antimicrobial and radical scavenging activities (DPPH = 1,1-diphenyl-2-picrylhydrazyl hydrate) using in vitro microdilution methods. Antimicrobial screening of the free ligands and their complex showed that the free ligands and the complex possess antifungal activity against Candida sp.     

In Vitro and In Silico Study of Analogs of Plant Product Plastoquinone to Be Effective in Colorectal Cancer Treatment

Plants have paved the way for the attainment of molecules with a wide-range of biological activities. However, plant products occasionally show low biological activities and/or poor pharmacokinetic properties. In that case, development of their derivatives as drugs from the plant world has been actively performed. As plant products, plastoquinones (PQs) have been of high importance in anticancer drug design and discovery; we have previously evaluated and reported the potential cytotoxic effects of a series of PQ analogs. Among these analogs, PQ2, PQ3 and PQ10 were selected for National Cancer Institute (NCI) for in vitro screening of anticancer activity against a wide range of cancer cell lines. The apparent superior anticancer potency of PQ2 on the HCT-116 colorectal cancer cell line than that of PQ3 and PQ10 compared to other tested cell lines has encouraged us to perform further mechanistic studies to enlighten the mode of anti-colorectal cancer action of PQ2. For this purpose, its apoptotic effects on the HCT-116 cell line, DNA binding capacity and several crucial pharmacokinetic properties were investigated. Initially, MTT assay was conducted for PQ2 at different concentrations against HCT-116 cells. Results indicated that PQ2 exhibited significant cytotoxicity in HCT-116 cells with an IC₅₀ value of 4.97 ± 1.93 μM compared to cisplatin (IC₅₀ = 26.65 ± 7.85 μM). Moreover, apoptotic effects of PQ2 on HCT-116 cells were investigated by the annexin V/ethidium homodimer III staining method and PQ2 significantly induced apoptosis in HCT-116 cells compared to cisplatin. Based on the potent DNA cleavage capacity of PQ2, molecular docking studies were conducted in the minor groove of the double helix of DNA and PQ2 presented a key hydrogen bonding through its methoxy moiety. Overall, both in vitro and in silico studies indicated that effective, orally bioavailable drug-like PQ2 attracted attention for colorectal cancer treatment. The most important point to emerge from this study is that appropriate derivatization of a plant product leads to unique biologically active compounds.