Jingjing Wang, Jiahui Liang, Fei Chen, Runheng Yu, Zhihui Tian, Yang Zhao, Weiguang Ma, Lei Dong, Jiaxuan Li, Wangbao Yin, Liantuan Xiao, Suotang Jia, Lei Zhang
{"title":"激光诱导击穿光谱结合机器学习快速定量大肠杆菌浓度。","authors":"Jingjing Wang, Jiahui Liang, Fei Chen, Runheng Yu, Zhihui Tian, Yang Zhao, Weiguang Ma, Lei Dong, Jiaxuan Li, Wangbao Yin, Liantuan Xiao, Suotang Jia, Lei Zhang","doi":"10.1016/j.talanta.2025.128522","DOIUrl":null,"url":null,"abstract":"<p><p>The rapid and accurate quantification of bacterial concentrations is essential for food safety monitoring, environmental surveillance, and clinical diagnostics. Traditional methods are often limited by lengthy procedures, complex operations, or high costs. This study developed a novel approach combing laser-induced breakdown spectroscopy (LIBS) with machine learning for rapid bacterial concentration analysis. Using Escherichia coli (E. coli) as a model organism, we systematically optimized key LIBS parameters including delay time, substrate material, and laser repetition rate to achieve optimal spectral quality. Three machine learning algorithms - support vector regression (SVR), gradient boosting regression (GBR), and kernel ridge regression (KRR) - were comparatively evaluated. The SVR model demonstrated superior performance with a coefficient of determination (R<sup>2</sup>) of 0.99, along with root mean square error (RMSE) of 7.3 × 10<sup>5</sup> cells/mL and mean absolute error (MAE) of 4.2 × 10<sup>5</sup> cells/mL, respectively. Method validation showed recovery rates ranging from 100.03 % to 100.83 %, with relative standard deviations (RSD) less than 2 %. The t-test confirmed no significant difference between the spiked concentrations and the detected concentrations (p > 0.05), indicating that the method possesses excellent accuracy and precision. This multi-feature integration approach effectively addressed the nonlinear correlation between spectral line intensity and bacterial concentration in LIBS quantification. The method offers significant advantages including minimal sample preparation and rapid analysis speed. These findings establish a reliable and efficient technique for microbial quantification with promising applications in food production facilities, healthcare settings, and ecological studies.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"296 ","pages":"128522"},"PeriodicalIF":6.1000,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Laser-induced breakdown spectroscopy coupled with machine learning for rapid quantification of Escherichia coli concentration.\",\"authors\":\"Jingjing Wang, Jiahui Liang, Fei Chen, Runheng Yu, Zhihui Tian, Yang Zhao, Weiguang Ma, Lei Dong, Jiaxuan Li, Wangbao Yin, Liantuan Xiao, Suotang Jia, Lei Zhang\",\"doi\":\"10.1016/j.talanta.2025.128522\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The rapid and accurate quantification of bacterial concentrations is essential for food safety monitoring, environmental surveillance, and clinical diagnostics. Traditional methods are often limited by lengthy procedures, complex operations, or high costs. This study developed a novel approach combing laser-induced breakdown spectroscopy (LIBS) with machine learning for rapid bacterial concentration analysis. Using Escherichia coli (E. coli) as a model organism, we systematically optimized key LIBS parameters including delay time, substrate material, and laser repetition rate to achieve optimal spectral quality. Three machine learning algorithms - support vector regression (SVR), gradient boosting regression (GBR), and kernel ridge regression (KRR) - were comparatively evaluated. The SVR model demonstrated superior performance with a coefficient of determination (R<sup>2</sup>) of 0.99, along with root mean square error (RMSE) of 7.3 × 10<sup>5</sup> cells/mL and mean absolute error (MAE) of 4.2 × 10<sup>5</sup> cells/mL, respectively. Method validation showed recovery rates ranging from 100.03 % to 100.83 %, with relative standard deviations (RSD) less than 2 %. The t-test confirmed no significant difference between the spiked concentrations and the detected concentrations (p > 0.05), indicating that the method possesses excellent accuracy and precision. This multi-feature integration approach effectively addressed the nonlinear correlation between spectral line intensity and bacterial concentration in LIBS quantification. The method offers significant advantages including minimal sample preparation and rapid analysis speed. These findings establish a reliable and efficient technique for microbial quantification with promising applications in food production facilities, healthcare settings, and ecological studies.</p>\",\"PeriodicalId\":435,\"journal\":{\"name\":\"Talanta\",\"volume\":\"296 \",\"pages\":\"128522\"},\"PeriodicalIF\":6.1000,\"publicationDate\":\"2026-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Talanta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1016/j.talanta.2025.128522\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/6/27 0:00:00\",\"PubModel\":\"Epub\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Talanta","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1016/j.talanta.2025.128522","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/6/27 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Laser-induced breakdown spectroscopy coupled with machine learning for rapid quantification of Escherichia coli concentration.
The rapid and accurate quantification of bacterial concentrations is essential for food safety monitoring, environmental surveillance, and clinical diagnostics. Traditional methods are often limited by lengthy procedures, complex operations, or high costs. This study developed a novel approach combing laser-induced breakdown spectroscopy (LIBS) with machine learning for rapid bacterial concentration analysis. Using Escherichia coli (E. coli) as a model organism, we systematically optimized key LIBS parameters including delay time, substrate material, and laser repetition rate to achieve optimal spectral quality. Three machine learning algorithms - support vector regression (SVR), gradient boosting regression (GBR), and kernel ridge regression (KRR) - were comparatively evaluated. The SVR model demonstrated superior performance with a coefficient of determination (R2) of 0.99, along with root mean square error (RMSE) of 7.3 × 105 cells/mL and mean absolute error (MAE) of 4.2 × 105 cells/mL, respectively. Method validation showed recovery rates ranging from 100.03 % to 100.83 %, with relative standard deviations (RSD) less than 2 %. The t-test confirmed no significant difference between the spiked concentrations and the detected concentrations (p > 0.05), indicating that the method possesses excellent accuracy and precision. This multi-feature integration approach effectively addressed the nonlinear correlation between spectral line intensity and bacterial concentration in LIBS quantification. The method offers significant advantages including minimal sample preparation and rapid analysis speed. These findings establish a reliable and efficient technique for microbial quantification with promising applications in food production facilities, healthcare settings, and ecological studies.
期刊介绍:
Talanta provides a forum for the publication of original research papers, short communications, and critical reviews in all branches of pure and applied analytical chemistry. Papers are evaluated based on established guidelines, including the fundamental nature of the study, scientific novelty, substantial improvement or advantage over existing technology or methods, and demonstrated analytical applicability. Original research papers on fundamental studies, and on novel sensor and instrumentation developments, are encouraged. Novel or improved applications in areas such as clinical and biological chemistry, environmental analysis, geochemistry, materials science and engineering, and analytical platforms for omics development are welcome.
Analytical performance of methods should be determined, including interference and matrix effects, and methods should be validated by comparison with a standard method, or analysis of a certified reference material. Simple spiking recoveries may not be sufficient. The developed method should especially comprise information on selectivity, sensitivity, detection limits, accuracy, and reliability. However, applying official validation or robustness studies to a routine method or technique does not necessarily constitute novelty. Proper statistical treatment of the data should be provided. Relevant literature should be cited, including related publications by the authors, and authors should discuss how their proposed methodology compares with previously reported methods.