Unlocking the potential of Allium dictyoprasum C.A. Meyer ex Kunth: quantum chemical insights into radical scavenging, chemical composition, phenolic content, and antimicrobial activity.
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 inve...
| Publicado en: | International Journal of Environmental Health Research Vol. 35; no. 5; pp. 1125 - 1143 |
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| Autores principales: | , , , , , |
| Formato: | pictorial research tables/charts Journal Article |
| Publicado: |
Taylor & Francis Ltd
May2025
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| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=ccm&AN=184921621&site=ehost-live header: @attributes: shortDbName: ccm uiTerm: 184921621 longDbName: CINAHL Complete uiTag: AN controlInfo: bkinfo: dissinfo: jinfo: jid: 09603123 57L jtl: International Journal of Environmental Health Research issn: 09603123 maglogo: Y pubinfo: dt: May2025 vid: 35 iid: 5 pid: 377 pub: Taylor & Francis Ltd place: Philadelphia, Pennsylvania artinfo: ui: 184921621 178551868 184921621 184921621 10.1080/09603123.2024.2382304 184921621 ppf: 1125 ppct: 18 formats: fmt: – @attributes: type: T – @attributes: type: P tig: atl: Unlocking the potential of Allium dictyoprasum C.A. Meyer ex Kunth: quantum chemical insights into radical scavenging, chemical composition, phenolic content, and antimicrobial activity. aug: au: Tegin, İbrahim Yabalak, Erdal Hallaç, Bülent Sabancı, Nazmiye Fidan, Mehmet Sadık, Betül affil: Faculty of Arts and Science, Department of Chemistry, Siirt University, Siirt, Türkiye sug: subj: Plant Extracts Pharmacodynamics Phenols Analysis Antioxidants Antiinfective Agents Pharmacodynamics Free Radical Scavengers Pharmacodynamics Mycophenolic Acid Finite Element Analysis Theory Mass Spectrometry Phytochemicals Trace Elements ab: 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. HIGHLIGHTS: Quantum chemical calculations of radical scavenging analysis were performed. Thermochemical parameters were calculated by the B3LYP/6–311 G++(d,p) level. Radical scavenging mechanism was evaluated based on HAT, SET-PT and SPLET. Chemical composition of Allium dictyoprasum C.A. Meyer ex Kunth was determined. A. dictyoprasum has a greater antibacterial effects than some commercial antibiotics. pubtype: Academic Journal doctype: pictorial research tables/charts Journal Article ougenre: Article language: English refInfo: holdings: @attributes: islocal: N |
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