Structural Elucidation and Position Identification of Cu(II) ion in Hexaaquazinc(diaquabismalonto)zincate: Single Crystal EPR and Optical Studies

Journal of Cluster Science - Single crystal electron paramagnetic resonance (EPR), powder X-ray diffraction (XRD), Fourier transform-infrared (FT-IR) and UV–Visible (UV–Vis)...     

Synthesis of Novel N‐Morpholinoacetyl‐2,6‐diarylpiperidin‐4‐ones

A series of N‐chloroacetyl‐2,6‐diarylpiperidin‐4‐ones (10–18) obtained from the corresponding 2,6‐diarylpiperidin‐4‐ones upon base‐catalyzed condensation with morpholine afforded N‐morpholinoacetyl‐2,6‐diarylpiperidin‐4‐ones (19–27). The synthesized compounds have been characterized by their elemental, analytical, and spectral data.     

Vinylimidazole‐based asymmetric ion pair comonomers: Synthesis,polymerization studies and formation of ionically crosslinked PMMA

Vinylimidazole‐based asymmetric ion pair comonomers ( IPC s) which are free from nonpolymerizable counter ions have been synthesized, characterized and polymerized by free radical polymerization (FRP), atom transfer radical polymerization (ATRP), and reversible addition‐fragmentation chain transfer (RAFT) mediated polymerizations in solution and by dispersion polymerization in water. The asymmetric nature of IPC s is due to the fact that cationic component of these IPCs is derived from vinylimidazole (VIm) and anionic component is derived from either styrenesulfonate (SS) or 2‐acrylamido‐2‐methyl‐1‐propanesulfonate. Although under ATRP, conversions are either very low or negligible, FRP and RAFT produces polymers with high to moderate monomer conversions but with different solubility characteristics. This investigation provides insight to the polymerization behavior of each component of the asymmetric IPCs and also its effects on composition and solubility characteristics of the resulting polymers. The IPCs studied here are high temperature ionic liquid and thus the polymers synthesized from these IPCs are highly ionic in nature and possess very strong intermolecular interactions which makes some of these IPC based polymers completely insoluble in organic and aqueous solvents. This highly ionic interaction is exploited to synthesize ionically crosslinked PMMA. MMA on copolymerization with 5–6 mol % of IPC yielded copolymer which is insoluble in common organic solvents like THF, DMF, etc., unlike homo PMMA. © 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2013, 51, 3260–3273     

Mechanisms of electrochemical nitrogen gas reduction to ammonia under ambient conditions: a focused review

Journal of Solid State Electrochemistry - Electrocatalytic nitrogen reduction reaction (E-NRR) to ammonia is becoming a major topic of interest in the field of large-scale energy storage from...     

Ceric ammonium nitrate supported HY-zeolite：An efficient catalyst for the synthesis of 1, 8-dioxo-octahydroxanthenes

Ceric ammonium nitrate （CAN） supported HY-zeolite has been used as an efficient catalyst for the one- pot synthesis of 1,8-dioxo-octahydroxanthenes from the readily available 1,3-diketone and aromatic aldehydes under solvent-free conditions. The present methodology is cost-effective in addition to other advantages like high yields of products in shorter reaction time and simple workup procedure without the use of any injurious solvents.     

Synthesis,anticancer evaluation,and docking studies of some novel azo chromene derivatives

We have described a simple, convenient, and high-yielding one-pot synthesis of novel azo chromene derivatives via a three-component reaction of various azo aldehydes with dimedone and malononitrile using 10 mol% of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) as catalyst and ethanol as solvent at reflux condition. All the synthesized compounds have been characterized using Fourier-transform infrared spectroscopy (FT-IR), ¹H NMR, ¹³C NMR, and HR-MS spectra and molecular docking was performed to explore new inhibitors of human placental aromatase cytochrome P450 and cyclooxygenase-2 enzymes. Of all the compounds docked, compound (E)-2-amino-4-(4,4-dimethyl-2,6-dioxocyclohexyl)-6-((3-methoxyphenyl)diazenyl-4H-chromene-3-carbonitrile ( 4o ) showed good binding affinity with the active site of human placental aromatase cytochrome P450 enzyme (PDB: 3EQM) with inhibition constant (Ki) 1.66 nM and compound 4o also showed good binding affinity with the active site of cyclooxygenase-2 enzyme (PDB: 6COX) with inhibition constant (Ki) 367.17 pM. In vitro anti-cancer activity studies against MCF-7 cells were also performed for compounds 4o , anastrozole and celecoxib. Compound 4o showed an effective cytotoxicity at 19.8 μg/ml compared to anastrozole and celecoxib (24.7 and 26.2 μg/ml).     

Design,synthesis, molecular docking,and spectral studies of new class of carbazolyl polyhydroquinoline derivatives as promising antibacterial agents with noncytotoxicity towards human mononuclear cells from peripheral blood

In the present study, we report the design and eco-benign synthesis of new class of carbazolyl-1,4-dihydropyridine (1,4-CDHP) and carbazolyl-1,8-dioxodecahydroacridine (CAD) derivatives via a three-component coupling reaction of substituted carbazole aldehydes, ethyl acetoacetate/dimedone, and ammonium acetate under solvent-free conditions at 112°C to 115°C. We also report an efficient one-pot synthesis of new class of carbazolyl polyhydroquinoline (CPQ) derivatives via a four-component coupling reaction of substituted ethyl acetoacetate, dimedone, ammonium acetate, and carbazole aldehydes in acetonitrile/water medium (3:1) at 73°C to 75°C in moderate yields. All the products were thoroughly characterized by ¹H NMR, ¹³C NMR, Fourier transform infrared (FTIR), mass spectral, and CHN analysis. The synthesized heterocyclic compounds were evaluated for their in vitro antibacterial activity against pathogenic strains of both Gram-negative and Gram-positive bacteria. Minimum inhibitory concentration (MIC) of the active compounds was evaluated by macrodilution method. The CPQ derivative ( 8a ) displayed superior antibacterial activity against Escherichia coli, Pseudomonas aeruginosa, and Salmonella typhi with the MIC values of 16.0 to 32.0 μg/mL in comparison with the reference drug. The mechanism of antibacterial action of the CPQ derivatives was investigated via scanning electron microscope (SEM) studies. The molecular docking studies indicate that the CPQ derivative ( 8a ) binds to the cell wall protein of E coli and P aeruginosa by formation of hydrogen bonds with amino acid residues (TYR328 and GLU249) of the bacterial cell wall protein. The 1,4-CDHP, CAD, and CPQ derivatives were either noncytotoxic or exhibited minimal cytotoxicity towards human mononuclear cells from peripheral blood. All the products were evaluated for Lipinski rule of five (RO5) and were found to have good oral bioavailability.     

Determination of direct orange 8 in effluent using a polypyrrole modified electrode

Electrochemical studies of direct orange 8 were carried out with a bare glassy carbon electrode (GCE) and a polypyrrole-coated GCE in aqueous acetonitrile medium using voltammetric techniques. One reversible couple around 0.3?V due to the redox reaction of the phenol group, one reduction peak around ?0.4?V due to reduction of the azo group and one oxidation peak around 1.0?V due to oxidation of the amino group were observed. Chronocoulometric studies revealed dye adsorption on the GCE. A square-wave stripping method was developed for the determination of the dye at pH 13.0, and a linear calibration equation obtained. The reproducibility in the measurement of peak currents was confirmed from the RSD value 2.8% at 0.001?mg?mL^?1 concentration. A comparison of the stripping voltammetric method with the UV-Vis spectrophotometric method was made. The determination limits are wider and the RSD value is lower in the stripping voltammetric method. The concentration of the dye present in dye effluent was determined using this method.     

Effect of chelating agent (1,10-phenanthroline) on potassium hydrogen phthalate crystals

The influence of a new organic additive, chelating agent 1,10-phenanthroline (Phen) (∼5.0·10⁻³ M L⁻¹) on potassium hydrogen phthalate (KHP) single crystals at 30° is investigated. The crystals were grown from the aqueous solutions of pH ∼4.5 at constant temperature by solvent evaporation technique. The chelating agent leads to an increase in metastable zone width and assists the bulk growth process. The growth rate of crystals in the presence of Phen decreases considerably with an increase in impurity concentration. Not much variation is observed in FTIR and cell parameter values, determined by XRD analysis. It appears that the growth promoting effect (GPE) of Phen is caused by the adsorption of the organic additive on the prism of KHP crystals. Differential scanning calorimetry (DSC) and TG-DTA studies reveal the purity of the sample and no decomposition is observed up to the melting point. Scanning electron microscope (SEM) photographs exhibit the effectiveness of the impurity in changing the surface morphology of KHP crystals. Contrary to expectations, Phen depresses the NLO efficiency of KHP, suggesting that the molecular alignments in the presence of Phen results in cancellation effects disturbing the non-linearity.