An intelligent spectral identification approach for the simultaneous detection of endocrine-disrupting chemicals in aquatic environments
With the rapid progression of industrialization, the application and release of endocrine disruptors (EDCs), including bisphenol A (BPA), octylphenol and nonylphenol have significantly increased, presenting substantial health hazards. Conventional analytical techniques, such as high-performance liqu...
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Veröffentlicht in: | Environmental research 2025-01, Vol.264 (Pt 2), p.120368, Article 120368 |
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creator | Yao, Liulu Fu, Zhizhi Duan, Qiannan Wu, Mingzhe Song, Fan Wang, Haoyu Qin, Yiheng Bai, Yonghui Zhou, Chi Quan, Xudong Lee, Jianchao |
description | With the rapid progression of industrialization, the application and release of endocrine disruptors (EDCs), including bisphenol A (BPA), octylphenol and nonylphenol have significantly increased, presenting substantial health hazards. Conventional analytical techniques, such as high-performance liquid chromatography and gas chromatography-mass spectrometry, are highly sophisticated but suffer from complex procedures and high costs. To overcome these limitations, this study introduces an innovative spectral methodology for the simultaneous detection of multiple aquatic multicomponent EDCs. By leveraging chemical machine vision, specifically with convolutional neural network (CNN) models, we employed a long-path holographic spectrometer for rapid, cost-effective identification of BPA, 4-tert-octylphenol, and 4-nonylphenol in aqueous samples. The CNN, refined with the ResNet-50 architecture, demonstrated superior predictive performance, achieving detection limits as low as 3.34, 3.71 and 4.36 μg/L, respectively. The sensitivity and quantification capability of our approach were confirmed through the analysis of spectral image Euclidean distances, while its universality and resistance properties were validated by assessments of environmental samples. This technology offers significantly advantages over conventional techniques in terms of efficiency and cost, offering a novel solution for EDC monitoring in aquatic environments. The implications of this research extend beyond improved detection speed and cost reduction, presenting new methodologies for analyzing complex chemical systems and contributing to environmental protection and public health.
[Display omitted]
•Innovative tech: Precise, simultaneous Spectral-AI detection of BPA, 4-NP, 4-t-OP.•Fast response: Rapid EDC detection within 40 s boosts monitoring efficiency.•Sub-PPM Sensitivity: Detection at the PPM level for the EDC concentrations.•Sample Adaptability: Reliable analysis for environmental samples.•Strategic Innovation: Enhances environmental management and monitoring strategies. |
doi_str_mv | 10.1016/j.envres.2024.120368 |
format | Article |
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[Display omitted]
•Innovative tech: Precise, simultaneous Spectral-AI detection of BPA, 4-NP, 4-t-OP.•Fast response: Rapid EDC detection within 40 s boosts monitoring efficiency.•Sub-PPM Sensitivity: Detection at the PPM level for the EDC concentrations.•Sample Adaptability: Reliable analysis for environmental samples.•Strategic Innovation: Enhances environmental management and monitoring strategies.</description><identifier>ISSN: 0013-9351</identifier><identifier>ISSN: 1096-0953</identifier><identifier>EISSN: 1096-0953</identifier><identifier>DOI: 10.1016/j.envres.2024.120368</identifier><identifier>PMID: 39547564</identifier><language>eng</language><publisher>Netherlands: Elsevier Inc</publisher><subject>Benzhydryl Compounds - analysis ; Chemical machine vision ; Convolutional neural network ; Deep learning ; Endocrine Disruptors - analysis ; Endocrine-disrupting chemicals ; Environmental Monitoring - methods ; Neural Networks, Computer ; Phenols - analysis ; Spectral analysis ; Water Pollutants, Chemical - analysis</subject><ispartof>Environmental research, 2025-01, Vol.264 (Pt 2), p.120368, Article 120368</ispartof><rights>2024 Elsevier Inc.</rights><rights>Copyright © 2024 Elsevier Inc. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c241t-5b6c78bd75aaa7bb0d222861bcbb3d49e5fa3d7b4cde48b791b208efc10790753</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.envres.2024.120368$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/39547564$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Yao, Liulu</creatorcontrib><creatorcontrib>Fu, Zhizhi</creatorcontrib><creatorcontrib>Duan, Qiannan</creatorcontrib><creatorcontrib>Wu, Mingzhe</creatorcontrib><creatorcontrib>Song, Fan</creatorcontrib><creatorcontrib>Wang, Haoyu</creatorcontrib><creatorcontrib>Qin, Yiheng</creatorcontrib><creatorcontrib>Bai, Yonghui</creatorcontrib><creatorcontrib>Zhou, Chi</creatorcontrib><creatorcontrib>Quan, Xudong</creatorcontrib><creatorcontrib>Lee, Jianchao</creatorcontrib><title>An intelligent spectral identification approach for the simultaneous detection of endocrine-disrupting chemicals in aquatic environments</title><title>Environmental research</title><addtitle>Environ Res</addtitle><description>With the rapid progression of industrialization, the application and release of endocrine disruptors (EDCs), including bisphenol A (BPA), octylphenol and nonylphenol have significantly increased, presenting substantial health hazards. Conventional analytical techniques, such as high-performance liquid chromatography and gas chromatography-mass spectrometry, are highly sophisticated but suffer from complex procedures and high costs. To overcome these limitations, this study introduces an innovative spectral methodology for the simultaneous detection of multiple aquatic multicomponent EDCs. By leveraging chemical machine vision, specifically with convolutional neural network (CNN) models, we employed a long-path holographic spectrometer for rapid, cost-effective identification of BPA, 4-tert-octylphenol, and 4-nonylphenol in aqueous samples. The CNN, refined with the ResNet-50 architecture, demonstrated superior predictive performance, achieving detection limits as low as 3.34, 3.71 and 4.36 μg/L, respectively. The sensitivity and quantification capability of our approach were confirmed through the analysis of spectral image Euclidean distances, while its universality and resistance properties were validated by assessments of environmental samples. This technology offers significantly advantages over conventional techniques in terms of efficiency and cost, offering a novel solution for EDC monitoring in aquatic environments. The implications of this research extend beyond improved detection speed and cost reduction, presenting new methodologies for analyzing complex chemical systems and contributing to environmental protection and public health.
[Display omitted]
•Innovative tech: Precise, simultaneous Spectral-AI detection of BPA, 4-NP, 4-t-OP.•Fast response: Rapid EDC detection within 40 s boosts monitoring efficiency.•Sub-PPM Sensitivity: Detection at the PPM level for the EDC concentrations.•Sample Adaptability: Reliable analysis for environmental samples.•Strategic Innovation: Enhances environmental management and monitoring strategies.</description><subject>Benzhydryl Compounds - analysis</subject><subject>Chemical machine vision</subject><subject>Convolutional neural network</subject><subject>Deep learning</subject><subject>Endocrine Disruptors - analysis</subject><subject>Endocrine-disrupting chemicals</subject><subject>Environmental Monitoring - methods</subject><subject>Neural Networks, Computer</subject><subject>Phenols - analysis</subject><subject>Spectral analysis</subject><subject>Water Pollutants, Chemical - analysis</subject><issn>0013-9351</issn><issn>1096-0953</issn><issn>1096-0953</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2025</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNp9kUtr3DAUhUVJ6EzS_oNStOzGUz0sPzaFEPIoBLpp1kKP6xkNtuRI8kD_QX92NTjNMitx0Xfu4dyD0BdKdpTQ5vtxB_4UIe0YYfWOMsKb7gPaUtI3FekFv0BbQiivei7oBl2ldCwjFZx8RBvei7oVTb1Ff288dj7DOLo9-IzTDCZHNWJny-gGZ1R2wWM1zzEoc8BDiDgfACc3LWNWHsKSsIVcZGcuDBi8DSY6D5V1KS5zdn6PzQGmsmtMxQ2rl6VsNYU8uRj8VJzSJ3Q5lG_4_Ppeo-f7u9-3j9XTr4eftzdPlWE1zZXQjWk7bVuhlGq1JpYx1jVUG625rXsQg-K21bWxUHe67almpIPBUNL2pBX8Gn1b95Y8LwukLCeXTMm_RpGcsq7vCBFNQesVNTGkFGGQc3STin8kJfLcgTzKtQN57kCuHRTZ11eHRU9g30T_j16AHysAJefJQZTJOPAGrIvljNIG977DP4C_nqM</recordid><startdate>20250101</startdate><enddate>20250101</enddate><creator>Yao, Liulu</creator><creator>Fu, Zhizhi</creator><creator>Duan, Qiannan</creator><creator>Wu, Mingzhe</creator><creator>Song, Fan</creator><creator>Wang, Haoyu</creator><creator>Qin, Yiheng</creator><creator>Bai, Yonghui</creator><creator>Zhou, Chi</creator><creator>Quan, Xudong</creator><creator>Lee, Jianchao</creator><general>Elsevier Inc</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20250101</creationdate><title>An intelligent spectral identification approach for the simultaneous detection of endocrine-disrupting chemicals in aquatic environments</title><author>Yao, Liulu ; Fu, Zhizhi ; Duan, Qiannan ; Wu, Mingzhe ; Song, Fan ; Wang, Haoyu ; Qin, Yiheng ; Bai, Yonghui ; Zhou, Chi ; Quan, Xudong ; Lee, Jianchao</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c241t-5b6c78bd75aaa7bb0d222861bcbb3d49e5fa3d7b4cde48b791b208efc10790753</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2025</creationdate><topic>Benzhydryl Compounds - analysis</topic><topic>Chemical machine vision</topic><topic>Convolutional neural network</topic><topic>Deep learning</topic><topic>Endocrine Disruptors - analysis</topic><topic>Endocrine-disrupting chemicals</topic><topic>Environmental Monitoring - methods</topic><topic>Neural Networks, Computer</topic><topic>Phenols - analysis</topic><topic>Spectral analysis</topic><topic>Water Pollutants, Chemical - analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yao, Liulu</creatorcontrib><creatorcontrib>Fu, Zhizhi</creatorcontrib><creatorcontrib>Duan, Qiannan</creatorcontrib><creatorcontrib>Wu, Mingzhe</creatorcontrib><creatorcontrib>Song, Fan</creatorcontrib><creatorcontrib>Wang, Haoyu</creatorcontrib><creatorcontrib>Qin, Yiheng</creatorcontrib><creatorcontrib>Bai, Yonghui</creatorcontrib><creatorcontrib>Zhou, Chi</creatorcontrib><creatorcontrib>Quan, Xudong</creatorcontrib><creatorcontrib>Lee, Jianchao</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Environmental research</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yao, Liulu</au><au>Fu, Zhizhi</au><au>Duan, Qiannan</au><au>Wu, Mingzhe</au><au>Song, Fan</au><au>Wang, Haoyu</au><au>Qin, Yiheng</au><au>Bai, Yonghui</au><au>Zhou, Chi</au><au>Quan, Xudong</au><au>Lee, Jianchao</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>An intelligent spectral identification approach for the simultaneous detection of endocrine-disrupting chemicals in aquatic environments</atitle><jtitle>Environmental research</jtitle><addtitle>Environ Res</addtitle><date>2025-01-01</date><risdate>2025</risdate><volume>264</volume><issue>Pt 2</issue><spage>120368</spage><pages>120368-</pages><artnum>120368</artnum><issn>0013-9351</issn><issn>1096-0953</issn><eissn>1096-0953</eissn><abstract>With the rapid progression of industrialization, the application and release of endocrine disruptors (EDCs), including bisphenol A (BPA), octylphenol and nonylphenol have significantly increased, presenting substantial health hazards. Conventional analytical techniques, such as high-performance liquid chromatography and gas chromatography-mass spectrometry, are highly sophisticated but suffer from complex procedures and high costs. To overcome these limitations, this study introduces an innovative spectral methodology for the simultaneous detection of multiple aquatic multicomponent EDCs. By leveraging chemical machine vision, specifically with convolutional neural network (CNN) models, we employed a long-path holographic spectrometer for rapid, cost-effective identification of BPA, 4-tert-octylphenol, and 4-nonylphenol in aqueous samples. The CNN, refined with the ResNet-50 architecture, demonstrated superior predictive performance, achieving detection limits as low as 3.34, 3.71 and 4.36 μg/L, respectively. The sensitivity and quantification capability of our approach were confirmed through the analysis of spectral image Euclidean distances, while its universality and resistance properties were validated by assessments of environmental samples. This technology offers significantly advantages over conventional techniques in terms of efficiency and cost, offering a novel solution for EDC monitoring in aquatic environments. The implications of this research extend beyond improved detection speed and cost reduction, presenting new methodologies for analyzing complex chemical systems and contributing to environmental protection and public health.
[Display omitted]
•Innovative tech: Precise, simultaneous Spectral-AI detection of BPA, 4-NP, 4-t-OP.•Fast response: Rapid EDC detection within 40 s boosts monitoring efficiency.•Sub-PPM Sensitivity: Detection at the PPM level for the EDC concentrations.•Sample Adaptability: Reliable analysis for environmental samples.•Strategic Innovation: Enhances environmental management and monitoring strategies.</abstract><cop>Netherlands</cop><pub>Elsevier Inc</pub><pmid>39547564</pmid><doi>10.1016/j.envres.2024.120368</doi></addata></record> |
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subjects | Benzhydryl Compounds - analysis Chemical machine vision Convolutional neural network Deep learning Endocrine Disruptors - analysis Endocrine-disrupting chemicals Environmental Monitoring - methods Neural Networks, Computer Phenols - analysis Spectral analysis Water Pollutants, Chemical - analysis |
title | An intelligent spectral identification approach for the simultaneous detection of endocrine-disrupting chemicals in aquatic environments |
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