Scavenging performance and antioxidant activity of γ-alumina nanoparticles towards DPPH free radical: Spectroscopic and DFT-D studies
| Autor: | Ali Moradi Delfani, Mehdi Zamani, Morteza Jabbari |
|---|---|
| Rok vydání: | 2018 |
| Předmět: |
Absorption spectroscopy
Chemistry DPPH Nanoparticle 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Analytical Chemistry Absorbance chemistry.chemical_compound Adsorption Density functional theory 0210 nano-technology Brønsted–Lowry acid–base theory Instrumentation Spectroscopy Natural bond orbital Nuclear chemistry |
| Zdroj: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 201:288-299 |
| ISSN: | 1386-1425 |
| Popis: | The radical scavenging performance and antioxidant activity of γ-alumina nanoparticles towards 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical were investigated by spectroscopic and computational methods. The radical scavenging ability of γ-alumina nanoparticles in the media with different polarity (i.e. i-propanol and n-hexane) was evaluated by measuring the DPPH absorbance in UV–Vis absorption spectra. The structure and morphology of γ-alumina nanoparticles before and after adsorption of DPPH were studied using XRD, FT-IR and UV–Vis spectroscopic techniques. The adsorption of DPPH free radical on the clean and hydrated γ-alumina (1 1 0) surface was examined by dispersion corrected density functional theory (DFT-D) and natural bond orbital (NBO) calculations. Also, time-dependent density functional theory (TD-DFT) was used to predict the absorption spectra. The adsorption was occurred through the interaction of radical nitrogen N and NO2 groups of DPPH with the acidic and basic sites of γ-alumina surface. The high potential for the adsorption of DPPH radical on γ-alumina nanoparticles was investigated. Interaction of DPPH with Bronsted and Lewis acidic sites of γ-alumina was more favored than Bronsted basic sites. The following order for the adsorption of DPPH over the different active sites of γ-alumina was predicted: Bronsted base |
| Databáze: | OpenAIRE |
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