Unlocking the potential of Allium dictyoprasum C.A. Meyer ex Kunth: quantum chemical insights into radical scavenging, chemical composition, phenolic content, and antimicrobial activity.
İbrahim Tegin, Erdal Yabalak, Bülent Hallaç, Nazmiye Sabancı, Mehmet Fidan, Betül Sadık
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引用次数: 0
Abstract
Allium dictyoprasum C.A. Meyer ex Kunth (A. dictyoprasum) underwent comprehensive analysis, encompassing quantum chemical computations to assess its radical scavenging potential, chemical and elemental composition, total phenolic content, and antimicrobial activity. Experimental and theoretical investigations focused on elucidating the radical scavenging properties of polyhydroxy phenolic compounds present in the plant. Quantum chemical calculations were employed to evaluate the antioxidants employed to evaluate selected polyhydroxy phenolic molecules including flavonoids, hydrocinnamic acid derivatives, and hydroxybenzoic acid derivatives from natural sources. Thermochemical parameters of these compounds were calculated by the B3LYP/6-311 G++(d,p) level in both gas and solvent phases to elucidate the radical scavenging mechanism including hydrogen atom transfer (HAT), single electron transfer followed by proton transfer (SET-PT) and sequential proton loss electron transfer (SPLET). Analysis of A. dictyoprasum extracts obtained via various extraction methods revealed the presence of several major compounds, including dimethyl trisulfide, 3,5-Dihydroxy-6-methyl-2,3-dihydro-4 H-pyran-4-one, 2-Methoxy-4-vinylphenol, Dimethyl phthalate, Methyl palmitate, Methyl oleate, Methyl stearate, (9Z)-9-Octadecenamide. Notably, Malic acid and Quinic acid were identified as major compounds, with concentrations of 43.31 and 17.47 mg kg-1 extract, respectively, based on LC-MS/MS analysis. The total phenolic content of the extract was measured as 17.83 mg gallic acid/mL, while its free radical scavenging activity was 80.89% per mg/mL. Elemental analysis revealed significant levels of Mg, K, Na, Fe, and P, with minor concentrations of elements such as Ti, Tl, B, and Be. Furthermore, A. dictyoprasum exhibited notable antibacterial activity against various bacteria strains, surpassing the efficacy of some commercial antibiotics.
期刊介绍:
International Journal of Environmental Health Research ( IJEHR ) is devoted to the rapid publication of research in environmental health, acting as a link between the diverse research communities and practitioners in environmental health. Published articles encompass original research papers, technical notes and review articles. IJEHR publishes articles on all aspects of the interaction between the environment and human health. This interaction can broadly be divided into three areas: the natural environment and health – health implications and monitoring of air, water and soil pollutants and pollution and health improvements and air, water and soil quality standards; the built environment and health – occupational health and safety, exposure limits, monitoring and control of pollutants in the workplace, and standards of health; and communicable diseases – disease spread, control and prevention, food hygiene and control, and health aspects of rodents and insects. IJEHR is published in association with the International Federation of Environmental Health and includes news from the Federation of international meetings, courses and environmental health issues.