AI-assisted detection and degradation of antimicrobial drug in aquatic environment based on Bi-functional Bi2MoO6/β-cyclodextrin functionalized activated carbon

IF 8.1 2区 环境科学与生态学 Q1 ENVIRONMENTAL SCIENCES
Chemosphere Pub Date : 2026-10-01 Epub Date: 2026-09-28 DOI:10.1016/j.chemosphere.2026.145087
Neethu Sebastian, Wan-Chin Yu, Deepak Balram, Qianqiao Chen
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Abstract

In this work, we developed a dual-functional platform by integrating β-cyclodextrin (βCD) functionalized activated carbon (AC) with orthorhombic bismuth molybdate (Bi2MoO6) for the electrochemical detection and photocatalytic degradation of metronidazole (MTZ). To enable smart sensing, a neural network model optimized using Bayesian hyperparameter tuning was employed to accurately estimate MTZ concentration from peak current values, thereby achieving precise data-driven quantification. The composite material offers abundant electroactive sites and enhanced electron transfer kinetics, leading to efficient MTZ reduction at the electrode surface. The proposed system exhibited an excellent sensitivity (72.21 μAμM−1cm−2) and a broad linear detection range (0.05–22.5 μM) with a low detection limit of 0.2 nM. It also demonstrated high selectivity, repeatability, reproducibility, and stability. Further, the developed neural network model displayed high prediction accuracy in estimating MTZ concentration, as evidenced by the low root mean square error (0.18), mean absolute error (0.13), and high R2 value (0.99). Ultimately, the successful MTZ detection in environmental samples, including aquaculture water, pond water, river water, and irrigation canal water with satisfactory recovery rates was realized. Additionally, the developed composite material aslo showed superior photocatalytic degradation activity toward MTZ under visible light irradiation. These results highlight the proposed system's strong potential for dual applications in environmental monitoring and photocatalytic remediation of aquatic pollutants.
基于双功能Bi2MoO6/β-环糊精功能化活性炭的人工智能辅助水生环境中抗菌药物的检测与降解
本研究将β-环糊精(βCD)功能化活性炭(AC)与正交钼酸铋(Bi2MoO6)结合,建立了一个双功能平台,用于电化学检测和光催化降解甲硝唑(MTZ)。为了实现智能传感,采用贝叶斯超参数调谐优化的神经网络模型,从峰值电流中准确估计MTZ浓度,从而实现精确的数据驱动量化。复合材料提供了丰富的电活性位点和增强的电子传递动力学,导致电极表面有效的MTZ还原。该系统具有良好的灵敏度(72.21 μAμM-1cm-2)、较宽的线性检测范围(0.05 ~ 22.5 μM)和较低的检测限(0.2 nM)。该方法具有高选择性、可重复性、重现性和稳定性。此外,所建立的神经网络模型对MTZ浓度的预测精度较高,其均方根误差低(0.18),平均绝对误差低(0.13),R2值高(0.99)。最终实现了水产养殖水、池塘水、河流水、灌溉渠水等环境样品中MTZ的成功检测,并取得了满意的回收率。此外,所制备的复合材料在可见光照射下对MTZ也表现出优异的光催化降解活性。这些结果突出了该系统在环境监测和水生污染物光催化修复方面的双重应用潜力。
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来源期刊
Chemosphere
Chemosphere 环境科学-环境科学
CiteScore
15.80
自引率
8.00%
发文量
4975
审稿时长
3.4 months
期刊介绍: Chemosphere, being an international multidisciplinary journal, is dedicated to publishing original communications and review articles on chemicals in the environment. The scope covers a wide range of topics, including the identification, quantification, behavior, fate, toxicology, treatment, and remediation of chemicals in the bio-, hydro-, litho-, and atmosphere, ensuring the broad dissemination of research in this field.
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