Aliev Timur A, Belyaev Vadim E, Pomytkina Anastasiya V, Nesterov Pavel V, Shityakov Sergey, Sadovnichii Roman V, Novikov Alexander S, Orlova Olga Yu, Masalovich Maria S, Skorb Ekaterina V
ITMO University, Lomonosova strasse 9, Saint-Petersburg 191002, Russia.
ACS Appl Mater Interfaces. 2023 Nov 8;15(44):52010-52020. doi: 10.1021/acsami.3c12050. Epub 2023 Oct 24.
The present study is dedicated to the problem of electrochemical analysis of multicomponent mixtures, such as milk. A combination of cyclic voltammetry facilities and machine learning techniques made it possible to create a pattern recognition system for the detection of antibiotic residues in skimmed milk. A multielectrode sensor including copper, nickel, and carbon fiber was fabricated for the collection of electrochemical data. Processes occurring at the electrode surface were discussed and simulated with the help of molecular docking and density functional theory modeling. It was assumed that the antibiotic fingerprint reveals a potential drift of electrodes, owing to complexation with metal ions present in milk. The gradient boosting algorithm showed the best efficiency in training the machine learning model. High accuracy was achieved for the recognition of antibiotics in milk. The elaborated method may be incorporated into existing milking systems at dairy farms for monitoring the residue concentrations of antibiotics.
本研究致力于多组分混合物(如牛奶)的电化学分析问题。循环伏安法设备与机器学习技术相结合,使得创建一个用于检测脱脂牛奶中抗生素残留的模式识别系统成为可能。制造了一种包括铜、镍和碳纤维的多电极传感器,用于收集电化学数据。借助分子对接和密度泛函理论建模,对电极表面发生的过程进行了讨论和模拟。据推测,由于与牛奶中存在的金属离子络合,抗生素指纹显示出电极的电位漂移。梯度提升算法在训练机器学习模型方面表现出最佳效率。在牛奶中抗生素的识别方面实现了高精度。所阐述的方法可纳入奶牛场现有的挤奶系统中,用于监测抗生素的残留浓度。