ABSTRACT
In this study for the first time, high efficient, eco-friendly and novel Dy2O3/ZnO-Au ternary nanocomposites (Dy/ZnO-AuNCs) were prepared in presence of pomegranate fruit (PF) extract as capping and reducing agents (Dy/ZnO-AuNCs@PF). The influence of various parameters such as basic agents, reducing agents, sonication power, and sonication time were performed to reach the optimum condition. The formation of the products was characterized by FT-IR, HRTEM, XRD, FE-SEM, TEM, EDX and DRS techniques. The XRD and TEM analysis showed that the morphology and crystallite size of nanocomposites were spherical morphology and 85-90 nm, respectively. The obtained Dy/ZnO-AuNCs@PF were investigated as a nanocatalyst for degradation of erythrosine (ES) as anionic dye and basic violet 10 (BV10) as cationic dye under UV and visible light irradiations. The Dy/ZnO-AuNCs@PF exhibited higher photodegradation against ES (89.6%) and BV10 (91.3%) than pure Dy2O3 (63.1% for ES, 66.5% for BV10) and Dy2O3/ZnO (64.5% for ES, 70.8% for BV10) under UV irradiation. It was found that gold nanoparticles have significant effect on Dy/ZnO-AuNCs@PF catalytic performance for decomposition of organic pollutants. In addition, Dy/ZnO-AuNCs@PF showed excellent in-vitro antibacterial activity against A. baumannii, S. aureus and P. mirabilis with MIC and MBC values of (5, 80 mg/ml), (5, 40 mg/ml) and (2.5, 20 mg/ml), respectively. Generally, according to its excellent antibacterial and catalytic activity, Dy/ZnO-AuNCs@PF can be used in biomedical and environmental applications.
Subject(s)
Anti-Bacterial Agents/pharmacology , Dysprosium/pharmacology , Gold/pharmacology , Nanocomposites/chemistry , Plant Extracts/pharmacology , Zinc Oxide/pharmacology , Acinetobacter baumannii/drug effects , Anti-Bacterial Agents/chemical synthesis , Anti-Bacterial Agents/chemistry , Catalysis , Dose-Response Relationship, Drug , Dysprosium/chemistry , Fruit/chemistry , Gold/chemistry , Green Chemistry Technology , Microbial Sensitivity Tests , Molecular Structure , Photochemical Processes , Plant Extracts/chemical synthesis , Plant Extracts/chemistry , Pomegranate/chemistry , Proteus mirabilis/drug effects , Staphylococcus aureus/drug effects , Structure-Activity Relationship , Zinc Oxide/chemistryABSTRACT
The molecular structure (hydrogen bonding, bond distances and angles), dipole moment and vibrational spectroscopic data [vibrational frequencies, IR and vibrational circular dichroism (VCD)] of cyclobutanonecdots, three dots, centeredHX (X = F, Cl) complexes were calculated using density functional theory (DFT) and second order Møller-Plesset perturbation theory (MP2) with basis sets ranging from 6-311G, 6-311G(**), 6-311 + + G(**). The theoretical results are discussed mainly in terms of comparisons with available experimental data. For geometric data, good agreement between theory and experiment is obtained for the MP2 and B3LYP levels with basis sets including diffuse functions. Surface potential energy calculations were carried out with scanning HCl and HF near the oxygen atom. The nonlinear hydrogen bonds of 1.81 A and 175 degrees for HCl and 1.71 A and 161 degrees for HF were calculated. In these complexes the C=O and H-X bonds participating in the hydrogen bond are elongated, while others bonds are compressed. The calculated vibrational spectra were interpreted and the band assignments reported are in excellent agreement with experimental IR spectra. The C=O stretching vibrational frequencies of the complexes show red shifts with respect to cyclobutanone.
