膜
电子转移
密度泛函理论
活性氧
辐照
生物物理学
抗菌活性
化学
材料科学
光化学
物理
细菌
生物化学
核物理学
计算化学
生物
遗传学
作者
Zeying Liu,Zixuan Chen,Huaxia Xie,Yali Cui,Hong‐Jian Feng,Kai Hua
标识
DOI:10.1016/j.apsusc.2023.157147
摘要
The antibacterial effect induced by photocatalysis of UV-irradiated TiO2 has been widely studied. The present work reveals that Ag+ implanted TiO2 film shows significantly enhanced antibacterial activity without the application of UV light. Density functional calculations show that the existence of the implanted Ag+ tends to change the electric field leading to a gradient band alignment of TiO2 near the interface, favoring the charge transfer from the TiO2 side to the membrane of the bacteria. Our density functional calculations clearly demonstrate the strong evidence of charge transfer channeling from the conduction band of Ag+ implanted TiO2 to the bacteria membrane which produces large amount of reactive oxygen species (ROS, including O2•–, H2O2 and •OH). The ROS lead to bacteria death by inducing physiological changes such as membrane break, leakage of intracellular components, protein denaturation and DNA lesions. This work unravels the antibacterial mechanism of Ag+ implanted TiO2, and contributes furtherly to the rational design and modification of biomaterials by Ag+ implantation.
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