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检查氧基位置对来自素基希夫基的铜复合物的抗菌活性的影响:实验和计算分析
Damar Nurwahyu Bima1, Solihatul Nada Firdaus1, Adi Darmawan1
1Department of Chemistry, Diponegoro University, Tembalang, Semarang, 50275, Indonesia.
Chemosphere
|January 5, 2025
概括
希夫基铜复合体表现出增强的抗菌活性. 基团的位置影响协调和生物活性,自由基团增强了对大肠杆菌和金黄色杆菌的有效性.
科学领域:
- 协调化学 协调化学
- 药用化学 医学化学
- 计算化学计算化学
背景情况:
- 希夫基是多功能联结体,在医学中具有潜在的应用.
- 在希夫不金属复合体中替代物定位的作用尚未完全理解.
- 铜复合物以其抗微生物特性而闻名.
研究的目的:
- 为了研究基组定位对希夫基铜复合体形成的影响.
- 评估合成的希夫基及其铜复合体对大肠杆菌和金黄色杆菌的抗菌疗效.
- 为了阐明有关基组位置的结构-活性关系.
主要方法:
- 希夫基的合成HL1 (由ortho-vanillin衍生) 和L2 (由para-vanillin衍生).
- 使用福里埃变换红外 (FT-IR) 和核磁共振 (NMR) 谱学的表征.
- 与铜离子复合,形成CuL1和CuL2复合体.
- 晶体分析和密度函数理论 (DFT) 研究结构和电子特性.
- 在体外抗菌检测对大肠杆菌和黄金杆菌的抗菌检测.
主要成果:
- 希夫基HL1和L2已成功合成和表征.
- CuL1充当了双联体 (N,O捐赠体),而L2则形成了 CuL2与自由基团.
- 与自由配体相比,CuL1和CuL2复合体都显示出增强的抗菌活性.
- CuL2对两种细菌菌株都表现出优越的生物活性,这可能是由于自由基组.
- 对于两种铜复合体,DFT研究支持扭曲的正方形平面几何.
结论:
- 基组的位置显著影响希夫基协调和抗菌活性.
- 复合铜增强了希夫基的抗菌潜力.
- 在CuL2中存在自由基团,有助于其增加生物活性.
- 这些发现强调了定制的希夫基铜复合体作为抗菌剂的潜力.
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