Department of Materials Science and Engineering, University of California, Irvine, CA 92697-2585.
Department of Chemical and Biomolecular Engineering, University of California, Irvine, CA 92697-2580.
Proc Natl Acad Sci U S A. 2023 Feb 14;120(7):e2210061120. doi: 10.1073/pnas.2210061120. Epub 2023 Feb 6.
Heavy metal contamination due to industrial and agricultural waste represents a growing threat to water supplies. Frequent and widespread monitoring for toxic metals in drinking and agricultural water sources is necessary to prevent their accumulation in humans, plants, and animals, which results in disease and environmental damage. Here, the metabolic stress response of bacteria is used to report the presence of heavy metal ions in water by transducing ions into chemical signals that can be fingerprinted using machine learning analysis of vibrational spectra. Surface-enhanced Raman scattering surfaces amplify chemical signals from bacterial lysate and rapidly generate large, reproducible datasets needed for machine learning algorithms to decode the complex spectral data. Classification and regression algorithms achieve limits of detection of 0.5 pM for As and 6.8 pM for Cr, 100,000 times lower than the World Health Organization recommended limits, and accurately quantify concentrations of analytes across six orders of magnitude, enabling early warning of rising contaminant levels. Trained algorithms are generalizable across water samples with different impurities; water quality of tap water and wastewater was evaluated with 92% accuracy.
由于工业和农业废物造成的重金属污染对供水构成了日益严重的威胁。为了防止有毒金属在人类、植物和动物体内积累,从而导致疾病和环境破坏,有必要经常广泛监测饮用水和农业用水源中的有毒金属。在这里,细菌的代谢应激反应被用来通过将离子转化为可以使用机器对振动光谱进行分析的化学信号来报告水中重金属离子的存在。表面增强拉曼散射表面放大了细菌裂解物的化学信号,并迅速生成了机器学习算法解码复杂光谱数据所需的大型、可重复的数据集。分类和回归算法对砷的检测限为 0.5 pM,对铬的检测限为 6.8 pM,比世界卫生组织建议的限值低 100,000 倍,并且可以准确地定量分析物在六个数量级范围内的浓度,从而可以及早发现污染物水平的上升。经过训练的算法可以推广到具有不同杂质的水样中;自来水电导率和废水的水质评估准确率达到 92%。