AI-Enhanced SERS with Probe Combinations for Concurrent Identification and Quantification of Coexisting Metal Ions in Water.

Journal: Environmental science & technology
Published Date: Aug 5, 2025

Abstract

Efficient and simultaneous detection of coexisting metal ions is essential for preserving water quality and mitigating ecological risks during environmental emergencies. However, traditional methods often fall short, either lacking the sensitivity required for trace-level detection or the ability to quantify multiple ions concurrently. Here, we propose an AI-enhanced surface-enhanced Raman spectroscopy (SERS) approach that combines advanced spectral analysis with tailored probe combinations, enabling precise identification and quantification of four coexisting metal ions, even in complex environmental water. By using chelating agents used in spectrophotometric assays as probes, we constructed a high-dimensional spectral array that generates comprehensive "super profiles" of 84 combinations of coexisting metal ions at various concentrations. A self-attention-based deep learning architecture was applied to leverage this extensive data set, addressing challenges associated with spectral overlap and nonlinear responses. Validation across various environmental samples, including river water, industrial effluents, and domestic sewage, demonstrated exceptional accuracy, with prediction errors for mixtures of four ions consistently below 10%. This work provides a scalable solution for the simultaneous detection of coexisting metal ions, enabling on-site, high-throughput applications in environmental monitoring and advancing water quality management strategies.

Authors

  • Fan Li
    Department of Instrument Science and Engineering, School of SEIEE, Shanghai Jiao Tong University, Shanghai 200240, China.
  • Shengmao Chao
    School of Environmental Science and Engineering, Southwest Jiaotong University, Chengdu 610031, China.
  • Xueqing Wang
    Department of Laboratory Medicine, Shanghai General Hospital, Shanghai Jiao Tong University School of Medicine, Shanghai, 200080, P. R. China.
  • Zhangmei Hu
    School of Environmental Science and Engineering, Southwest Jiaotong University, Chengdu 610031, China.
  • Dongmei Wang
    Department of Gastrointestinal Surgery, Affiliated Changzhou No. 2 People's Hospital of Nanjing Medical University, The Third Affiliated Hospital of Nanjing Medical University, Changzhou Medical Center, Nanjing Medical University, No. 68 Gehu Road, Wujin District, Changzhou City, 213000, Jiangsu, China. dongmeiwang0526@163.com.
  • Changyu Tang
    Chengdu Development Center of Science and Technology, China Academy of Engineering Physics, Chengdu 610200, China.
  • Zhengjun Gong
    Faculty of Geosciences and Environmental Engineering, Southwest Jiaotong University, Chengdu, 610031, China.
  • Han Zhang
    Johns Hopkins University, Baltimore, MD, USA.
  • Meikun Fan
    Faculty of Geosciences and Environmental Engineering, Southwest Jiaotong University, Chengdu, 610031, China. Electronic address: mkfan@swjtu.edu.cn.

Keywords

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