Sulfamethoxazole (SMX) and its antibiotic resistance genes (ARGs) are potential threats to public health. Microwave catalytic technology is an efficient environmental remediation technology, and a reasonable design of the catalyst enables the system to achieve an ideal remediation effect under low microwave power. In this study, a microwave catalyst (FeCO-2) that activates molecular oxygen (O2) was designed on the basis of rational theoretical organization. Density functional theory (DFT) calculations were used to predict the catalytic performance of FeCO-2 in the microwave field. The mechanism of active substance generation and successful construction of the MW/FeCO-2 catalytic system were verified by experimental studies. The abundance of Fe-O bonds alters the electronic structure of the iron carbide material (Fe@C), adjusts the conduction band potential of the material, reduces the reaction energy barrier, facilitates exciton dissociation under microwave, and facilitate O2 activation. The application of the MW/FeCO-2 system was verified with secondary effluent from a farm wastewater treatment process: 90.62 % SMX and over 86.77 % of ARGs were removed within 15 min. This study provides a new technique to efficiently simultaneously eliminate antibiotics and their resistance genes. In addition, this study provides ideas for the construction of a microwave catalytic system and explains the mechanism of the microwave catalytic process.

中文翻译：

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通过增加 Fe-O 键来消除抗生素及其耐药基因，从而降低分子氧活化能垒


磺胺甲噁唑 （SMX） 及其抗生素耐药基因 （ARG） 是对公共卫生的潜在威胁。微波催化技术是一种高效的环境修复技术，催化剂的合理设计使系统在低微波功率下能够达到理想的修复效果。本研究在理性理论组织的基础上设计了一种激活分子氧 （O2） 的微波催化剂 （FeCO-2）。密度泛函理论 （DFT） 计算用于预测 FeCO-2 在微波场中的催化性能。通过实验研究验证了 MW/FeCO-2 催化体系的活性物质生成机制和成功构建的机制。Fe-O 键的丰度改变了碳化铁材料 （Fe@C） 的电子结构，调整了材料的导带电位，降低了反应能垒，促进了微波下的激子解离，并促进了 O2 活化。MW/FeCO-2 系统的应用通过农场废水处理过程的二次流出物得到验证：在 15 分钟内去除了 90.62% 的 SMX 和超过 86.77% 的 ARGs。本研究提供了一种新技术，可以有效地同时消除抗生素及其耐药基因。此外，本研究为微波催化体系的构建提供了思路，并解释了微波催化过程的机理。