There is growing concern regarding the widespread use of fluoroquinolones (FQs) and their presence in the aqueous environment due to the rapid antibiotic resistance. In this study, wet chemistry experiment and DFT calculation were employed to investigate the adsorption of enrofloxacin (ENR), the most frequently used veterinary FQs, by carbon nanotubes (CNTs). The result revealed that the surface oxidation of CNT greatly modified its surface chemistry and thus had significant effect on ENR adsorption by the electrostatic and H-donor–acceptor interaction. Furthermore, the coexisted cations in environment could both react with ENR to form cation–dipole complex and react with CNT via cation–π interaction, leading to an enhanced adsorption of ENR. These results highlight the important role of surface chemistry in the efficient removal of antibiotics in waters.

中文翻译：

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碳纳米管吸附氟喹诺酮：结合实验和密度泛函理论研究

由于快速的抗药性，人们越来越关注氟喹诺酮类（FQs）的广泛使用及其在水性环境中的存在。在这项研究中，湿化学实验和DFT计算被用来研究碳纳米管（CNTs）吸附最常用的兽医FQs恩诺沙星（ENR）。结果表明，CNT的表面氧化极大地改变了其表面化学性质，因此通过静电和H-供体-受体相互作用对ENR吸附产生了显着影响。此外，环境中共存的阳离子既可以与ENR反应形成阳离子-偶极配合物，又可以通过阳离子-π相互作用与CNT反应，从而增强了ENR的吸附。