探索腐蚀行为,抗微生物评估,分子对接和DFT计算的硫化碳联体及其金属复合物
Howida S Mandour1, Lobna A Khorshed2, Amr M Abdou3
1Physical Chemistry Department, National Research Centre, 33 El Bohoth St., Dokki, P.O. 12622, Giza, Egypt. Hmandour77@gmail.com.
Scientific reports
|May 13, 2025
概括
一种新型的二氧化碳联体 (HL) 有效地抑制了HCl中的铜腐蚀,达到94%以上的效率. 它的金属复合物也显示出对特定菌株有前途的抗菌活性,理论研究解释了这些相互作用.
科学领域:
- 材料科学 材料科学 材料科学
- 电化学 电化学 电化学
- 药用化学 医学化学
背景情况:
- 铜等金属的腐蚀带来了重大的经济和安全挑战.
- 开发有效和环保的腐蚀抑制剂对于工业应用至关重要.
- 了解新型化合物的电化学特性和生物活性对于各种应用至关重要.
研究的目的:
- 为了评估一个 thiosemicarbazone连接体 (HL) 的功效作为一个腐蚀抑制剂的铜在盐酸.
- 为了研究由化碳联体衍生的金属复合物的电化学特性和抗菌活性.
- 通过理论研究阐明化合物与金属表面之间的相互作用机制.
主要方法:
- 电化学测量包括开放电路潜力 (OCP),电极动态极化 (PDP) 和电化学阻抗光谱 (EIS).
- 使用扫描电子显微镜 (SEM) 和能量分散式X射线光谱 (EDS) 的表面分析.
- 循环电压测量 (CV) 用于金属复合物,体外抗菌活性测试,以及密度功能理论 (DFT) 计算与分子对接.
主要成果:
- 硫化碳联体 (HL) 在1M HCl中对铜 (高达94.66%) 显示出高的腐蚀抑制效率.
- SEM和EDS分析证实了铜表面形成了一层保护性吸附层.
- 金属复合物 (Ni(II),Co(II),Cd(II)) 对S. pneumonia,S. Typhimurium和E. coli表现出显著的抗菌活性,DFT支持观察到的相互作用.
结论:
- 硫化甲连接体 (HL) 是一个强大的腐蚀抑制剂,用于铜在酸性介质.
- 合成的金属复合物具有显著的抗菌性质,特别是对抗阴性细菌.
- 理论研究为这些化合物的腐蚀抑制和生物活性机制提供了宝贵的见解.
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