Mehdi Feizpour , Halewijn Van den Bosche , Lilit Melikyan , Thomas Demuyser , Piet Cools , Hugo Thienpont , Tatevik Sarukhanyan , Heidi Ottevaere
{"title":"利用cnn驱动的一维光谱二维分类在sers集成微流体中进行细菌鉴定","authors":"Mehdi Feizpour , Halewijn Van den Bosche , Lilit Melikyan , Thomas Demuyser , Piet Cools , Hugo Thienpont , Tatevik Sarukhanyan , Heidi Ottevaere","doi":"10.1016/j.talanta.2025.128325","DOIUrl":null,"url":null,"abstract":"<div><div>Bacterial sensing involves complex and variable samples that require advanced handling and analytical methods. To address these challenges, machine learning—especially deep learning—and SERS-based microfluidics have shown great promise. While previous studies have majorly focused on 1D spectral classification, the use of 2D representations of SERS spectra has not yet been explored, particularly for on-chip bacterial identification. In this work, we introduce a novel framework that combines SERS-enabled microfluidics with optimized 2D convolutional neural networks (2D-CNNs) for bacterial classification. SERS integration inside microfluidic chips was achieved through direct laser writing, enabling custom active areas and efficient on-chip measurements. We systematically evaluated nine distinct 1D-to-2D spectral transformations, with spectrogram and continuous wavelet transform yielding test accuracies of 99 % and 97 %, respectively, on controlled datasets. Using transfer learning, we achieved 100 % accuracy on the on-chip dataset, demonstrating the model's adaptability to new data. In contrast, other transformations, like pairwise distance and autocorrelation, performed below 93 %, indicating their limited ability to capture subtle spectral features. This framework offers high sample control, parallelization, and the potential for expanding the bacteria database, making it ideal for low-data-volume situations such as rare infections. Further development and testing across strains, environments, and practical challenges can further improve our approach's reliability for real-world diagnostics.</div></div>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"295 ","pages":"Article 128325"},"PeriodicalIF":5.6000,"publicationDate":"2025-05-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Bacterial identification in SERS-integrated microfluidics using CNN-driven 2D classification of 1D spectra\",\"authors\":\"Mehdi Feizpour , Halewijn Van den Bosche , Lilit Melikyan , Thomas Demuyser , Piet Cools , Hugo Thienpont , Tatevik Sarukhanyan , Heidi Ottevaere\",\"doi\":\"10.1016/j.talanta.2025.128325\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Bacterial sensing involves complex and variable samples that require advanced handling and analytical methods. To address these challenges, machine learning—especially deep learning—and SERS-based microfluidics have shown great promise. While previous studies have majorly focused on 1D spectral classification, the use of 2D representations of SERS spectra has not yet been explored, particularly for on-chip bacterial identification. In this work, we introduce a novel framework that combines SERS-enabled microfluidics with optimized 2D convolutional neural networks (2D-CNNs) for bacterial classification. SERS integration inside microfluidic chips was achieved through direct laser writing, enabling custom active areas and efficient on-chip measurements. We systematically evaluated nine distinct 1D-to-2D spectral transformations, with spectrogram and continuous wavelet transform yielding test accuracies of 99 % and 97 %, respectively, on controlled datasets. Using transfer learning, we achieved 100 % accuracy on the on-chip dataset, demonstrating the model's adaptability to new data. In contrast, other transformations, like pairwise distance and autocorrelation, performed below 93 %, indicating their limited ability to capture subtle spectral features. This framework offers high sample control, parallelization, and the potential for expanding the bacteria database, making it ideal for low-data-volume situations such as rare infections. Further development and testing across strains, environments, and practical challenges can further improve our approach's reliability for real-world diagnostics.</div></div>\",\"PeriodicalId\":435,\"journal\":{\"name\":\"Talanta\",\"volume\":\"295 \",\"pages\":\"Article 128325\"},\"PeriodicalIF\":5.6000,\"publicationDate\":\"2025-05-16\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Talanta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S003991402500815X\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Talanta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S003991402500815X","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Bacterial identification in SERS-integrated microfluidics using CNN-driven 2D classification of 1D spectra
Bacterial sensing involves complex and variable samples that require advanced handling and analytical methods. To address these challenges, machine learning—especially deep learning—and SERS-based microfluidics have shown great promise. While previous studies have majorly focused on 1D spectral classification, the use of 2D representations of SERS spectra has not yet been explored, particularly for on-chip bacterial identification. In this work, we introduce a novel framework that combines SERS-enabled microfluidics with optimized 2D convolutional neural networks (2D-CNNs) for bacterial classification. SERS integration inside microfluidic chips was achieved through direct laser writing, enabling custom active areas and efficient on-chip measurements. We systematically evaluated nine distinct 1D-to-2D spectral transformations, with spectrogram and continuous wavelet transform yielding test accuracies of 99 % and 97 %, respectively, on controlled datasets. Using transfer learning, we achieved 100 % accuracy on the on-chip dataset, demonstrating the model's adaptability to new data. In contrast, other transformations, like pairwise distance and autocorrelation, performed below 93 %, indicating their limited ability to capture subtle spectral features. This framework offers high sample control, parallelization, and the potential for expanding the bacteria database, making it ideal for low-data-volume situations such as rare infections. Further development and testing across strains, environments, and practical challenges can further improve our approach's reliability for real-world diagnostics.
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.