Ying-Feng Chang , Yu-Chung Wang , Tsung-Yu Huang , Meng-Chi Li , Sin-You Chen , Yu-Xen Lin , Li-Chen Su , Kwei-Jay Lin
{"title":"AI integration into wavelength-based SPR biosensing: Advancements in spectroscopic analysis and detection","authors":"Ying-Feng Chang , Yu-Chung Wang , Tsung-Yu Huang , Meng-Chi Li , Sin-You Chen , Yu-Xen Lin , Li-Chen Su , Kwei-Jay Lin","doi":"10.1016/j.aca.2025.343640","DOIUrl":null,"url":null,"abstract":"<div><h3>Background</h3><div>In recent years, employing deep learning methods in the biosensing area has significantly reduced data analysis time and enhanced data interpretation and prediction accuracy. In some SPR fields, research teams have further enhanced detection capabilities using deep learning techniques. However, the application of deep learning to spectroscopic surface plasmon resonance (SPR) biosensors has not been reported. This study addresses the integration of AI methods to improve the signal-to-noise ratio (SNR) and detection accuracy of wavelength-based portable SPR biosensors.</div></div><div><h3>Results</h3><div>We designed a deep neural network integrated with the spectral subtraction method to extract SPR responses from the proposed portable SPR biosensor. Using difference spectra as the model input, our AI model provided superior noise reduction and enhanced detection capabilities, outperforming traditional spectral feature extraction methods like dip or centroid positioning. Our study achieved a significantly amplified SNR and improved detection resolution to an impressive 10<sup>−7</sup> RIU level. In addition, we employ Shapley Additive Explanations (SHAP) analysis to determine which parts of the input the AI model considers most important when extracting SPR response, thereby increasing the interpretability and transparency of the AI model. The results indicate that the wavelength regions considered most important by our proposed AI model are very close to the full width at half maximum (FWHM) range. This region is also recognized by traditional theory as having a significant impact on the sensitivity of SPR sensing.</div></div><div><h3>Significance</h3><div>Integrating AI into wavelength-based portable SPR biosensing represents a significant advancement in on-site detection technologies, driving potential applications across various monitoring scenarios. Our findings highlight the AI model's effectiveness in reducing noise and enhancing detection accuracy, particularly in measurements involving low-concentration analytes. This innovation holds great promise for fields that demand real-time, high-precision, on-site detection, such as biomedical diagnostics, environmental monitoring, and biochemical analysis, setting the stage for transformative shifts in these critical areas.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1341 ","pages":"Article 343640"},"PeriodicalIF":6.0000,"publicationDate":"2025-01-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Analytica Chimica Acta","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0003267025000340","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Background
In recent years, employing deep learning methods in the biosensing area has significantly reduced data analysis time and enhanced data interpretation and prediction accuracy. In some SPR fields, research teams have further enhanced detection capabilities using deep learning techniques. However, the application of deep learning to spectroscopic surface plasmon resonance (SPR) biosensors has not been reported. This study addresses the integration of AI methods to improve the signal-to-noise ratio (SNR) and detection accuracy of wavelength-based portable SPR biosensors.
Results
We designed a deep neural network integrated with the spectral subtraction method to extract SPR responses from the proposed portable SPR biosensor. Using difference spectra as the model input, our AI model provided superior noise reduction and enhanced detection capabilities, outperforming traditional spectral feature extraction methods like dip or centroid positioning. Our study achieved a significantly amplified SNR and improved detection resolution to an impressive 10−7 RIU level. In addition, we employ Shapley Additive Explanations (SHAP) analysis to determine which parts of the input the AI model considers most important when extracting SPR response, thereby increasing the interpretability and transparency of the AI model. The results indicate that the wavelength regions considered most important by our proposed AI model are very close to the full width at half maximum (FWHM) range. This region is also recognized by traditional theory as having a significant impact on the sensitivity of SPR sensing.
Significance
Integrating AI into wavelength-based portable SPR biosensing represents a significant advancement in on-site detection technologies, driving potential applications across various monitoring scenarios. Our findings highlight the AI model's effectiveness in reducing noise and enhancing detection accuracy, particularly in measurements involving low-concentration analytes. This innovation holds great promise for fields that demand real-time, high-precision, on-site detection, such as biomedical diagnostics, environmental monitoring, and biochemical analysis, setting the stage for transformative shifts in these critical areas.
期刊介绍:
Analytica Chimica Acta has an open access mirror journal Analytica Chimica Acta: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review.
Analytica Chimica Acta provides a forum for the rapid publication of original research, and critical, comprehensive reviews dealing with all aspects of fundamental and applied modern analytical chemistry. The journal welcomes the submission of research papers which report studies concerning the development of new and significant analytical methodologies. In determining the suitability of submitted articles for publication, particular scrutiny will be placed on the degree of novelty and impact of the research and the extent to which it adds to the existing body of knowledge in analytical chemistry.