RESUMEN

In recent years, the discovery of suitable catalyst to oxidation of sulfur monoxide (SO) in normal temperature is a major concern in the industry. In this study, in first step; the boron nitride nanocone (BNNC) with Ge were doped and the surface of Ge-BNNC by using of the O2 molecule were activated. In second step; oxidation of SO on surface of Ge-BNNC through the Langmuir Hinshelwood (LH) and Eley Rideal (ER) mechanisms was investigated. Calculated data reveal that surface of O2-Ge-BNNC oxide the SO molecule with Ge-BNNC-O-O* + SO → Ge-BNNC-O-O*-SO → Ge-BNNC-O* + SO2 and Ge-BNNC-O* + SO → Ge-BNNC + SO2 reactions. It can be concluded, the energy barrier of LH mechanism to oxidation of SO on Ge-BNNC is lower than ER mechanism. Finally, the Ge-BNNC is acceptable catalyst with low price and high performance to oxidation of SO in normal temperature.

RESUMEN

The ZnS quantum dots decorated SnO2 nanosheets were prepared by a hydrothermal synthesis method. The characteristic structure of ZnS QDs/SnO2 nanocomposites was analyzed using several instruments such as X-ray diffraction, transmittance electron microscopy, atomic force microscopy, X-ray photoelectron and UV-vis and photoluminescence spectroscopy. The average diameters of SnO2 nanosheets and ZnS QDs/SnO2 nanocomposites were 12.5 and 3.6 nm, respectively. The merits of sono-photo-Fenton treatment process were investigated using degradation of Roxithromycin. The process involved ultrasound and UV irradiation, and hydrogen peroxide generated in situ. The treatment performance of the US/UV/catalyst process was superior to the constituent processes and synergistic mechanisms in the US/UV/catalyst process were the result of the promotion of hydroxyl radical generation. For the constituent processes, the US/catalyst system showed to the best efficiency with used catalyst compared to the conventional Fenton reaction. It was also observed that the addition of catalyst to the test solution undergoing UV irradiation substantially improved Roxithromycin and clarithromycin degradation. The best experimental conditions for efficient CLA and RXM degradation in the US/UV/catalyst/H2O2 system were pH0 3, hydrogen peroxide concentration of 6 mmol L-1, ZnS QDs/SnO2 nanocomposites dose of 0.3 g L-1 and ultrasonic power of 75 W. The antibacterial experiment was investigated under visible light illumination and the ZnS QDs/SnO2 nanocomposite showed good efficiency as antibacterial.

Asunto(s)

Antibacterianos/química , Peróxido de Hidrógeno/química , Hierro/química , Macrólidos/química , Nanocompuestos/química , Puntos Cuánticos/química , Catálisis , Concentración de Iones de Hidrógeno , Microscopía Electrónica de Rastreo , Microscopía Electrónica de Transmisión , Espectroscopía de Fotoelectrones , Fotólisis/efectos de los fármacos , Fotólisis/efectos de la radiación , Sonicación , Sulfuros/química , Compuestos de Estaño/química , Rayos Ultravioleta , Difracción de Rayos X , Compuestos de Zinc/química

RESUMEN

The adsorption of H2Se molecule on AlN-NCS and AlP-NCS surfaces were investigated by using of DFT calculations. The potentials of Cl-functionalized AlN-NCS and AlP-NCS for H2Se adsorption were examined. All processes of H2Se-adsorption on considered nanocone sheets were exothermic reactions. The calculated |Ead| amount of complex H2Se with AlP-NCS was higher than AlN-NCS. The functionalization of considered nanocone sheets with Cl atom increase |Ead| amount of H2Se. Results reveal that, obtained Ead amounts of considered nanocone sheets have linear relationships with corresponding orbital energy amounts. Finally, the novel nanocone sheets with higher efficiency to adsorption of H2Se can be proposed.

RESUMEN

A novel high selective colorimetric chemosensor was introduced based on a nano diphenyl-based Schiff base (H2L), 2,2'-((1E,1'E)-(((hexylazanediyl)bis(4,1-phenylene))bis(methanylylidene))bis(azanylylidene))bis(4-methylphenol) that synthesized using sonochemical method. H2L was characterized by FT-IR, MS, TGA, 1H NMR, 13C NMR, SEM and elemental analysis techniques, then fabricated as the portable strips for sensing copper (II) ions in aqueous media. The binding interaction between H2L and various metal ions was investigated by UV-Vis spectroscopic that showed favorable coordination toward Cu2+ ion. H2L exhibited binding-induced color changes from yellow to pink and practically no interference in the presence of other metal ions, i.e., Cr2+, Mn2+, Fe2+, Co2+, Ni2+, Zn2+, Cd2+, Hg2+, Pb2+, Mg2+ and Ca2+. The chemsensor showd the color change from yellow to pink in presence of copper (II) ion in aqueous media due to binging of H2L and Cu (II). This sensor can determine the copper (II) at in the rang of 7.5 × 10-8-1.8 × 10-5 mol L-1 with a correlation equation: Absorbance = 0.0450[Cu2+] × 10-6 + 0.71 and R2 = 0.975 and low detection limit of 1.89 × 10-8 mol L-1. Density functional theory (DFT) calculations were carried out at the B3LYP levels of theory with B3LYP/6-311+G(d,p) and LANL2DZ/6-311+G(d,p) basis sets for chemosensor and its copper complex respectively. The optimized geometry, harmonic vibrational frequencies, 1H NMR and 13C NMR chemical, Molecular orbital (M.O.), Mulliken population analysis (MPA), contour of Electrostatic Potential (ESP) and Molecular Electrostatic Potential (MEP) map of H2L were calculated which show good agreement with behavior of sensor for detection of Cu2+ ion.