葱花C.A.Meyer前Kunth(A.双目)进行了综合分析,包括量子化学计算来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植物中存在的多羟基酚类化合物的自由基清除性能。使用量子化学计算来评估用于评估选定的多羟基酚类分子包括类黄酮的抗氧化剂,氢化肉桂酸衍生物,和天然来源的羟基苯甲酸衍生物。通过B3LYP/6-311G++(d,p)气相和溶剂相中的水平,以阐明自由基清除机制,包括氢原子转移(HAT),单电子转移,其次是质子转移(SET-PT)和顺序质子损失电子转移(SPLET)。通过各种提取方法获得的A.dictyoprasum提取物的分析表明存在几种主要化合物,包括二甲基三硫,3,5-二羟基-6-甲基-2,3-二氢-4H-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)-9-十八酰胺。值得注意的是,苹果酸和奎宁酸被确定为主要化合物,浓度为43.31和17.47mgkg-1的提取物,分别,基于LC-MS/MS分析。提取物的总酚含量测量为17.83mg没食子酸/mL,其自由基清除活性为80.89%/mg/mL。元素分析显示镁的显著水平,K,Na,Fe,P,元素浓度较低,如Ti,Tl,B,和是。此外,A.dictyoprasum表现出显著的抗菌活性对各种菌株,超过一些商业抗生素的功效。
进行自由基清除分析的量子化学计算。热化学参数通过B3LYP/6-311G++(d,P)水平。基于HAT评估自由基清除机制,SET-PT和SPLET。确定了葛兰的化学成分。与某些商业抗生素相比,葛兰具有更大的抗菌作用。
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.
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.