Role of cetyltrimethyl ammonium bromide, crystal violet and humic acid in the degradation of diclofenac under simulated sunlight irradiation

The photodegradation of diclofenac in the absence/presence of cetyltrimethyl ammonium bromide,crystal violet and humic acid under simulated sunlight has been studied.Under the study conditions,it is apparent that cetyltrimethyl ammonium bromide and crystal violet concentrations inhibit effects on the photodegradation of diclofenac.Humic acid has no distinct effect on the photodegradation of diclofenac.Crystal violet has an obvious antagonistic action for humic acid and a similar antagonistic action between cetyltrimethyl ammonium bromide and crystal violet.Cetyltrimethyl ammonium bromide and humic acid have synergistic effect.An antagonistic action is present between cetyltrimethyl ammonium bromide,crystal violet and humic acid.Moreover,a simple linear model which describes the obtained results is shown.     

InCl3‐Driven Regioselective Synthesis of Functionalized/Annulated Quinolines: Scope and Limitations

The efficient, regioselective synthesis of functionalized/annulated quinolines was achieved by the coupling of 2‐aminoaryl ketones with alkynes/active methylenes/α‐oxoketene dithioacetals promoted by InCl₃ in refluxing acetonitrile as well as under solvent‐free conditions in excellent yields. This transformation presumably proceeded through the hydroamination–hydroarylation of alkynes, and the Friedländer annulation of active methylene compounds and α‐oxoketene dithioacetals with 2‐aminoarylketones. In addition, simple reductive and oxidative cyclization of 2‐nitrobenzaldehyde and 2‐aminobenzylalcohol, respectively, afforded substituted quinolines. Systematic optimization of the reaction parameters allowed us to identify two‐component coupling (2CC) conditions that were tolerant of a wide range of functional groups, thereby providing densely functionalized/annulated quinolines. This approach tolerates the synthesis of various bioactive quinoline frameworks from the same 2‐aminoarylketones under mild conditions, thus making this strategy highly useful in diversity‐oriented synthesis (DOS). The scope and limitations of the alkyne‐, activated methylene‐, and α‐oxoketene dithioacetal components on the reaction were also investigated.     

Thermal Ammonia Activation by Cationic Transition‐Metal Hydrides of the First Row – Small but Mighty

The thermal reactions of cationic 3d transition‐metal hydrides MH⁺ (M=Sc–Zn, except V and Cu) with ammonia have been studied by gas‐phase experiments and computational methods. There are three primary reaction channels: 1) H₂ elimination by N? H bond activation, 2) ligand exchange under the formation of M(NH₃)⁺, and 3) proton transfer to yield NH₄⁺. Computational studies of these three reaction channels have been performed for the couples MH⁺/NH₃ (M=Sc–Zn) to elucidate mechanistic aspects and characteristic reaction patterns of the first row. For N? H activation, σ‐bond metathesis was found to be operative.     

Coordination properties of N,O-carboxymethyl chitosan (NOCC). Synthesis and equilibrium studies of some metal ion complexes. Ternary complexes involving Cu(II) with (NOCC) and some biorelevant ligand

In the present study, the acid-base equilibria of N,O-carboxymethy chitosan abbreviated as (NOCC), is investigated. The complex formation equilibria with the metal ions Cu^(II), Ni^(II), Co^(II), Mn^(II), and Zn^(II) are investigated potentiometrically. The stability constant values of the binary and ternary complexes formed in solution were determined and the binding centers of the ligands were assigned. The relationships between the properties of the studied central metal ions as ionic radius, electronegativity, atomic number, and ionization potential, and the stability constants of the formed complexes were investigated in an effort to give information about the nature of chemical bonding in complexes and make possible the calculation of unknown stability constants. Cu^(II), Ni^(II), and U^(VI) complexes with NOCC are isolated as solid complexes and characterized by conventional chemical and physical methods. The structures of the isolated solid complexes are proposed on the basis of the spectral and magnetic studies. The ternary copper(II) complexes involving NOCC and various biologically relevant ligands containing different functional groups, as amino acids and DNA constituents are investigated. The stability constants of the complexes are determined and the concentration distribution diagrams of the complexes are evaluated.     

Theoretical investigation of the Anti-Parkinson drug rasagiline and its salts: conformations and infrared spectra

The conformational analysis of rasagiline [N-propargyl-1(R)-aminoindan] was performed by the density functional theory (DFT) B3LYP method using the 6–31++G (d,p) basis set. A single point energy calculations based on the B3LYP optimized geometries were also performed at MP2/6-31++G (d, p) level. The vibrational frequencies of the most stable conformer of rasagiline was calculated at the B3LYP level and vibrational assignments were made for normal modes on the basis of scaled quantum mechanical force field (SQM) method. The influence of mesylate and ethanedisulfonate salts on the geometry of rasagiline free base and its normal modes are also discussed.      

Phenylethanoid glycosides isolated from Paraboea paniculata

Phytochemical studies of the leaves and rhizomes of Paraboea pa niculata (Gesneriaceae) are reported for the first time. Three phenylethanoid glycosides were isolated and characterized as 3,4-dihydroxyphenethyl-(3"-O-beta-D-apiofuranosyl)-beta-D-glucopyranoside, calceoralarioside E, and acteoside. These isolates exhibited weak cytotoxic activity against the K-562 cell line with a 50% of cell killing rate of 40.18 microM, 27.05 microM, and 27.24 microM, respectively. In the DPPH free radical scavenging assay, their IC50 values were determined as 75.89 microM, 25.00 microM, and 26.04 microM, respectively.     

Synthesis, Spectroscopic and Thermal Studies of Zinc(II) Complexes with the Symmetrical Bidentate Schiff-Base Ligand (2,3-MeO-ba)2en: Crystal Structure of Zn((2,3-MeO-ba)2en)I2

Abstract  

Two zinc(II) complexes [ZnI₂((2,3-MeO-ba)₂en)] (1) and [ZnCl₂((2,3-MeO-ba)₂en)] (2), with the symmetrical bidentate Schiff-base ligand (2,3-MeO-ba)₂en [N,N′-bis(2,3-dimethoxybenzylidene)-1,2-diaminoethane] have been synthesized and characterized by elemental analyses (CHN), FT-IR and ¹H-NMR spectroscopy. The thermal behaviors of these complexes were studied using thermogravimetry in order to evaluate their thermal stability and thermal decomposition pathways. The crystal structure of [ZnI₂((2,3-MeO-ba)₂en)] (1) was determined from single-crystal X-ray diffraction. The coordination polyhedron about the zinc(II) center in the complex 1 is best described as a distorted tetrahedron.     

Crystal Structure of 2-Cyclohexylethyl α-d-Mannopyranoside

Abstract  

The crystal structure of 2-cyclohexylethyl α-d-mannopyranoside (C₁₄H₂₆O₆, Mr = 290.35) has been determined by single crystal X-ray diffraction analysis. The compound crystallizes in the monoclinic crystal system with space group C2 and unit cell parameters: a = 14.2420(2), b = 6.0320(1), c = 17.8065(3) ?, β = 102.131(2)° and Z = 4. The final reliability index is 0.0256 for 2,654 observed reflections. The one molecule of 2-cyclohexylethyl α-d-mannopyranoside is localized in independent part of unit cell. The molecules of 2-cyclohexylethyl α-d-mannopyranoside are linked through O–H···O hydrogen bond into bilayer.     

Hydrogen Bonded Supramolecular Network from a Mixed Valence Cobalt System: Synthesis and Crystal Structure of [Co(H2O)6][Co(pydc)2(en)]2·14H2O

Abstract  

The [Co(H₂O)₆][Co(pydc)₂(en)]₂·14H₂O (1) compound (H₂pydc = Pyridine-2,3-dicarboxylic acid and en = ethylenediamine) was synthesized and characterized by elemental analysis, magnetic and spectroscopic measurements (UV–Vis and IR spectra) and single crystal X-ray diffraction technique. There are two coordination spheres with different charges inside this aqueous compound of ionic character. The cationic part is composed of Co(II) encircled by six aqua ligand. Whereas the anionic part contains two anions complex unit each with −1 charge and have Co(III) ions in the centre. As a result different coordination spheres have cobalt ions with different states. The crystallographic analysis revealed that 1 consists of both discrete one-cationic and two-anionic entities, [Co(H₂O)₆]²⁺ and [Co(pydc)₂(en)]₂⁻ and fourteen crystal water molecules. Two water molecules within the water cluster act as hydrogen-bonding acceptors, whereas one water molecule acts as a hydrogen-bonding donor to form a discrete water trimer. These water molecules have stabilized the crystal structure by strong hydrogen bonding interactions.