İbrahim Tegin, Erdal Yabalak, Bülent Hallaç, Nazmiye Sabancı, Mehmet Fidan, Betül Sadık
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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 <i>A. dictyoprasum</i> 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<sup>-1</sup> 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, <i>A. dictyoprasum</i> exhibited notable antibacterial activity against various bacteria strains, surpassing the efficacy of some commercial antibiotics.</p>","PeriodicalId":14039,"journal":{"name":"International Journal of Environmental Health Research","volume":null,"pages":null},"PeriodicalIF":2.2000,"publicationDate":"2024-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Unlocking the potential of <i>Allium dictyoprasum</i> C.A. 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引用次数: 0
摘要
对 Allium dictyoprasum C.A. Meyer ex Kunth(A. dictyoprasum)进行了全面分析,包括量子化学计算,以评估其自由基清除潜力、化学和元素组成、总酚含量和抗菌活性。实验和理论研究的重点是阐明该植物中多羟基酚类化合物的自由基清除特性。量子化学计算用于评估抗氧化剂,评估所选的多羟基酚分子,包括天然来源的黄酮类化合物、氢化肉桂酸衍生物和羟基苯甲酸衍生物。通过 B3LYP/6-311 G++(d,p)水平计算了这些化合物在气相和溶剂相中的热化学参数,以阐明其自由基清除机理,包括氢原子转移(HAT)、单电子转移后质子转移(SET-PT)和顺序质子损耗电子转移(SPLET)。通过各种提取方法获得的 A. dictyoprasum 提取物分析表明,其中存在几种主要化合物,包括二甲基三硫醚、3,5-二羟基-6-甲基-2,3-二氢-4 H-吡喃-4-酮、2-甲氧基-4-乙烯基苯酚、邻苯二甲酸二甲酯、棕榈酸甲酯、油酸甲酯、硬脂酸甲酯、(9Z)-9-十八烯酰胺。值得注意的是,根据 LC-MS/MS 分析,苹果酸和奎宁酸被确定为主要化合物,浓度分别为 43.31 和 17.47 mg kg-1 提取物。经测定,提取物的总酚含量为 17.83 毫克没食子酸/毫升,其自由基清除活性为 80.89%/毫克/毫升。元素分析显示,Mg、K、Na、Fe 和 P 含量较高,Ti、Tl、B 和 Be 等元素含量较低。此外,A. dictyoprasum 对各种细菌菌株具有显著的抗菌活性,超过了一些商业抗生素的功效。
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 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.