精心设计的酸复合物:生物分析,电化学行为和密度函数理论计算
Khadichakhan Rafikova1, Nermin Meriç2, Nil Ertekin Binbay3
1Satbayev University, Institute of Chemical and Biological Technologies, Almaty, Kazakhstan; Kazakh-British Technical University, School of Chemical Engineering, Almaty, Kazakhstan.
具有铁素组的新型复合物表现出对记忆器件有前途的电化学特性,并表现出显著的抗氧化,抗微生物和DNA结合活性,而复合物2显示出优越的激素清除能力.
科学领域:
- 有机金属化学 有机金属化学
- 材料科学 材料科学 材料科学
- 计算化学计算化学
背景情况:
- 合成了基于铁素的酸和酸复合物.
- 这些复合物使用光谱学方法进行了表征.
研究的目的:
- 研究有机记忆器的电化学特性和潜在应用.
- 评估生物活动,包括抗氧化剂,抗微生物和DNA相互作用.
- 通过理论计算来理解电子转换和化学描述符.
主要方法:
- 循环电压测量用于电化学研究.
- 在用于内存设备制造的TiO2修改的ITO电极上进行固定.
- 时光电压计 (CA) 和开放电路电位电压计 (OCPA) 用于内存功能的验证.
- 密度函数理论 (DFT/CAM-B3LYP) 计算用于理论研究.
- 抗氧化剂,抗微生物,DNA结合和DNA裂变的测试.
主要成果:
- 综合体显示可调节的HOMO/LUMO水平和电化学特性.
- 通过使用基于复杂的基质,成功地证明了记忆功能.
- 综合体2表现出高激素清除活动 (67.5%).
- 复合体显示抗微生物活性对抗阳性和阴性细菌.
- 所有复合体都显示出DNA结合活性,复合体1,2,8特别有效.
结论:
- 合成的复合物具有用于内存应用的有价值的电化学和电子特性.
- 这些复合物表现出显著的生物活性,包括抗氧化剂,抗微生物和DNA结合能力.
- DFT计算提供了对电子结构和转换的洞察,补充了实验发现.
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