Scavenging performance and antioxidant activity of γ-alumina nanoparticles towards DPPH free radical: Spectroscopic and DFT-D studies

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
Mehdi ZamaniMorteza Jabbari

Abstract

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 Brønsted and Lewis acidic sites of γ-alumina was more favored than Brønsted basic sites. The follow...Continue Reading

Citations

Jul 25, 2019·Current Pharmaceutical Design·Xavier-Ravi BaskaranWenbo Liao
Jan 6, 2019·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Zuowei JiJianjun Wei
Jul 12, 2020·Journal of Inorganic Biochemistry·Ilia S Martakov, Oksana G Shevchenko
Apr 10, 2021·Analytica Chimica Acta·Bryan Brummelhaus de MenezesMarcelo Barcellos da Rosa
Jun 29, 2021·International Journal of Biological Macromolecules·Shunli XiaTao Han

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