Theoretical Aspects of the Antioxidant Properties of Humic Acids

Autor:	T. A. Yarkova, A. M. Gyul’maliev
Rok vydání:	2021
Předmět:	Primary (chemistry) Antioxidant Hydroquinone General Chemical Engineering medicine.medical_treatment Radical General Chemistry complex mixtures Redox Quantum chemical method chemistry.chemical_compound Fuel Technology chemistry Computational chemistry medicine Basis set
Zdroj:	Solid Fuel Chemistry. 55:236-243
ISSN:	1934-8029 0361-5219
Popis:	The energy characteristics of multistep sequential oxidation processes of the structural fragments of humic acids with oxygen-containing oxidants were calculated by the DFT B3LYP quantum chemical method using the DGDZVP basis set. The activity of the resulting primary and secondary radicals was determined, and effective ways of their neutralization were proposed. It was found that the hydroquinone fragments of humic acids are effective as inhibitors of oxidation reactions. Organic fragments the introduction of which into the structure of humic acids can enhance their antioxidant properties were proposed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::710fd651371aa1af2c41e617995a0c28 https://doi.org/10.3103/s0361521921040091 Zobrazit plný text záznamu Full text from SpringerLink