ABSTRACT
A novel solid-state polyvinylchloride (PVC) membrane potentiometric dopamine-selective microsensor was constructed based upon dopamine-imprinted polymer used as the ionophore in the membrane structure. The optimum membrane composition was determined as 4% (w/w) MIP, 69% (w/w) bis(2-ethylhexyl) sebacate (DOS), 26% (w/w) PVC, and 1% (w/w) potassiumtetrakis(4-chlorophenyl) borate (KTpClPB). The detection limit of the microsensor was determined to be 3.71×10-7 mol.L-1. The microsensor exhibited a super-Nernstian response for dopamine over the concentration range of 10-6-10-1 mol.L-1, with a short response time (<15 s) and a slope of 60.3±1.3 mV per decade (R2: 0.9998) over seven weeks. The microsensor was effectively performed in a pH range of 4.0-8.0 and a temperature range of 5-30 °C. The microsensor has been successfully demonstrated for the rapid, accurate, selective and reproducible determination of dopamine in pharmaceutical formulations with the recovery of 104.3-104.8%. The obtained results were in good harmony with the UV-Vis results at a confidence level of 95%.
Subject(s)
Polymers , Polyvinyl Chloride , Dopamine , Ionophores/chemistry , Polyvinyl Chloride/chemistry , Potentiometry/methodsABSTRACT
A mixed ligand Cd(II) complex [Cd(IsoPht)(TEA)H2O]·3H2O was synthesized for the first time by using isophthalic acid (H2IsoPht) and tetradentate triethanolamine (TEA) and characterized by X-ray single-crystal diffraction, FT-IR, and thermogravimetric analysis (TGA). This novel complex crystallizes in the triclinic system with P-1 space group and distorted monocapped trigonal prismatic geometry. The Cd(II) has seven coordinates with bidentate Isopht, a TEA in the tetradentate mode, and an aqua ligand. The fluorescence properties of the Cd(II) complex and TEA ligand were investigated at room temperature. The present Cd(II) complex was also tested for its antimicrobial activity by in vitro agar diffusion method against some Gram-positive and Gram-negative bacteria and a fungus.
Subject(s)
Anti-Bacterial Agents/pharmacology , Antifungal Agents/pharmacology , Coordination Complexes/pharmacology , Fungi/drug effects , Gram-Negative Bacteria/drug effects , Gram-Positive Bacteria/drug effects , Anti-Bacterial Agents/chemical synthesis , Anti-Bacterial Agents/chemistry , Antifungal Agents/chemical synthesis , Antifungal Agents/chemistry , Cadmium/chemistry , Cadmium/pharmacology , Coordination Complexes/chemical synthesis , Coordination Complexes/chemistry , Crystallography, X-Ray , Ethanolamines/chemistry , Ethanolamines/pharmacology , Microbial Sensitivity Tests , Models, Molecular , Phthalic Acids/chemistry , Phthalic Acids/pharmacologyABSTRACT
A novel trinuclear copper(II) complex [Cu3(µ-Cl)2Cl4(1-Vim)6] with monodentate 1-vinylimidazole (1-Vim) and chloro ligands has been prepared and experimentally characterized by elemental analysis, thermogravimetry (TGA, DTG, DTA), X-ray single crystal diffractometry, TOF-MS and FT-IR spectroscopies. The electronic and structural properties of the complex were further investigated by DFT/TD-DFT methods. Density functional hybrid method (B3LYP) was applied throughout the calculations. The calculated UV-Vis results based on TD-DFT approach were simulated and compared with experimental spectrum. Based on the data obtained, DFT calculations have been found in reasonable accordance with experimental data.
ABSTRACT
A dinuclear centrosymmetric copper(II) complex with the formula [Cu(2)(mu-maa)(4)(maaH)(2)] has been synthesized and experimentally characterized by IR, electronic spectroscopy, and X-ray single-crystal diffractometry. Starting from experimental X-ray geometry and using antiferromagnetic singlet ground state, gas phase geometry optimization was performed by density functional hybrid (B3LYP) method with 6-31G(d) and LANL2DZ basis sets. Gas-phase vibrational frequencies and single point energy (SPE) calculations have been carried out at the geometry-optimized structure. Molecular electrostatic potential calculated at the optimized geometry and natural bond orbital analysis data have been extracted from SPE output. The gas-phase electronic transitions of the title complex were investigated by the time dependent-density functional theory (TD-DFT) approach with the same theory employing LANL2DZ basis set. Also the calculated UV-Vis based upon TD-DFT results and IR spectra were simulated for comparison with the experimental ones.
Subject(s)
Copper/chemistry , Electrons , Methacrylates/chemistry , Models, Molecular , Crystallography, X-Ray , Kinetics , Spectrophotometry, Infrared , Spectrophotometry, Ultraviolet , Static Electricity , VibrationABSTRACT
The crystal structure of the title compound, [Co(CO(3))(C(12)H(8)N(2))(2)]NO(3)·H(2)O, consists of Co(III) complex cations, nitrate anions and uncoordinated water mol-ecules. The Co(III) cation is chelated by a carbonate anion and two phenanthroline ligands in a distorted octa-hedral coordination geometry. A three-dimensional supra-molecular structure is formed by O-Hâ¯O and C-Hâ¯O hydrogen bonding, C-Hâ¯π and aromatic π-π stacking [centroid-centroid distance = 3.995â (1)Å] inter-actions.
