Chenrui Zhan, Zisheng Ju, Binrui Xie, Jiwen Chen, Qiang Ma, Ming Li
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Thus, by combining the two, the parameters for the EEMD signal reconstruction can be optimized in an adaptive manner, obtaining the optimized coefficients. Compared to the previous EEMD feature enhancement approach, the LSTM-EEMD method not only significantly improves the coefficient of determination (R<sup>2</sup>) and relative standard deviation (RSD) of the data, enhancing the linear range, but also achieves fully adaptive processing throughout the workflow, greatly boosting the efficiency. By leveraging a miniature mass spectrometer, data for N-acetyl-l-aspartic acid (NAA), 2-Hydroxyglutarate (2-HG), and γ-Aminobutyric acid (GABA) in actual blood samples have been obtained. The experimental results demonstrate that the LSTM-EEMD method can markedly enhance the accuracy and usability of the biological sample data in practical testing, providing new perspectives and possibilities for research and applications in the relevant domain.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":null,"pages":null},"PeriodicalIF":5.6000,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Signal processing for miniature mass spectrometer based on LSTM-EEMD feature digging.\",\"authors\":\"Chenrui Zhan, Zisheng Ju, Binrui Xie, Jiwen Chen, Qiang Ma, Ming Li\",\"doi\":\"10.1016/j.talanta.2024.126904\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>Miniature mass spectrometers exhibit immense application potential in on-site detection due to their small size and low cost. However, their detection accuracy is severely affected by factors such as sample pre-processing and environmental conditions. In this study, we propose a data processing method based on long short-term memory-ensemble empirical mode decomposition (LSTM-EEMD) to improve the quality of on-site detection data from miniature mass spectrometers. The EEMD method can clearly decompose the different physical feature components in the small-scale spectrometer signals, while the LSTM method can adaptively learn the internal feature relationships of the signals. Thus, by combining the two, the parameters for the EEMD signal reconstruction can be optimized in an adaptive manner, obtaining the optimized coefficients. Compared to the previous EEMD feature enhancement approach, the LSTM-EEMD method not only significantly improves the coefficient of determination (R<sup>2</sup>) and relative standard deviation (RSD) of the data, enhancing the linear range, but also achieves fully adaptive processing throughout the workflow, greatly boosting the efficiency. By leveraging a miniature mass spectrometer, data for N-acetyl-l-aspartic acid (NAA), 2-Hydroxyglutarate (2-HG), and γ-Aminobutyric acid (GABA) in actual blood samples have been obtained. The experimental results demonstrate that the LSTM-EEMD method can markedly enhance the accuracy and usability of the biological sample data in practical testing, providing new perspectives and possibilities for research and applications in the relevant domain.</p>\",\"PeriodicalId\":435,\"journal\":{\"name\":\"Talanta\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":5.6000,\"publicationDate\":\"2025-01-01\",\"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.2024.126904\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/9/23 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.2024.126904","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/9/23 0:00:00","PubModel":"Epub","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Signal processing for miniature mass spectrometer based on LSTM-EEMD feature digging.
Miniature mass spectrometers exhibit immense application potential in on-site detection due to their small size and low cost. However, their detection accuracy is severely affected by factors such as sample pre-processing and environmental conditions. In this study, we propose a data processing method based on long short-term memory-ensemble empirical mode decomposition (LSTM-EEMD) to improve the quality of on-site detection data from miniature mass spectrometers. The EEMD method can clearly decompose the different physical feature components in the small-scale spectrometer signals, while the LSTM method can adaptively learn the internal feature relationships of the signals. Thus, by combining the two, the parameters for the EEMD signal reconstruction can be optimized in an adaptive manner, obtaining the optimized coefficients. Compared to the previous EEMD feature enhancement approach, the LSTM-EEMD method not only significantly improves the coefficient of determination (R2) and relative standard deviation (RSD) of the data, enhancing the linear range, but also achieves fully adaptive processing throughout the workflow, greatly boosting the efficiency. By leveraging a miniature mass spectrometer, data for N-acetyl-l-aspartic acid (NAA), 2-Hydroxyglutarate (2-HG), and γ-Aminobutyric acid (GABA) in actual blood samples have been obtained. The experimental results demonstrate that the LSTM-EEMD method can markedly enhance the accuracy and usability of the biological sample data in practical testing, providing new perspectives and possibilities for research and applications in the relevant domain.
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.