Fei Xie , Jie Gao , Qi Tian , Changyin Li , Rui Zhu , Shufeng Xu , Mu Li , Yungang Zhang
{"title":"基于 UV-DOAS 和光谱升级技术的ppb 级呼出丙酮检测光学传感器。","authors":"Fei Xie , Jie Gao , Qi Tian , Changyin Li , Rui Zhu , Shufeng Xu , Mu Li , Yungang Zhang","doi":"10.1016/j.talanta.2025.127965","DOIUrl":null,"url":null,"abstract":"<div><div>The method of detecting acetone levels in breath presents a promising approach for monitoring diabetes mellitus (DM). Consequently, the detection of acetone in exhaled breath is garnering significant attention. However, using ultraviolet differential optical absorption spectroscopy (UV-DOAS) for detection of the exhaled acetone has rarely been proposed due to the complex composition of exhaled gases and the baseline drift caused by the acetone absorption feature. In this study, we present an optical sensor based on an improved UV-DOAS and spectral upgrading, enabling the detection of exhaled acetone in the sub-200 nm wavelength band for the first time. Firstly, the overall fitting process in the UV-DOAS was improved to segmental fitting to address the issue of baseline drift, resulting in a standard differential absorption spectrum for acetone. Secondly, a spectral upscaling concentration inversion method based on wavelet coefficient matrix is proposed. This helps effectively handle spectral overlaps among oxygen (O<sub>2</sub>), ammonia (NH<sub>3</sub>), and acetone through the additional time-frequency information provided by spectral upscaling. Laboratory-based results demonstrate that our sensor achieves a detection limit of 14.97 ppb∗m, representing exceptional performances. Tests on human exhaled breath samples revealed that the sensor can detect acetone at ppb levels, with concentrations rising alongside increased lipid metabolism. Our optical sensor offers high accuracy and stability, demonstrating significant potential and value for non-invasive early diabetes diagnosis.</div></div>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"292 ","pages":"Article 127965"},"PeriodicalIF":5.6000,"publicationDate":"2025-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"An optical sensor for ppb-level exhaled acetone detection based on UV-DOAS and spectral upscaling\",\"authors\":\"Fei Xie , Jie Gao , Qi Tian , Changyin Li , Rui Zhu , Shufeng Xu , Mu Li , Yungang Zhang\",\"doi\":\"10.1016/j.talanta.2025.127965\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The method of detecting acetone levels in breath presents a promising approach for monitoring diabetes mellitus (DM). Consequently, the detection of acetone in exhaled breath is garnering significant attention. However, using ultraviolet differential optical absorption spectroscopy (UV-DOAS) for detection of the exhaled acetone has rarely been proposed due to the complex composition of exhaled gases and the baseline drift caused by the acetone absorption feature. In this study, we present an optical sensor based on an improved UV-DOAS and spectral upgrading, enabling the detection of exhaled acetone in the sub-200 nm wavelength band for the first time. Firstly, the overall fitting process in the UV-DOAS was improved to segmental fitting to address the issue of baseline drift, resulting in a standard differential absorption spectrum for acetone. Secondly, a spectral upscaling concentration inversion method based on wavelet coefficient matrix is proposed. This helps effectively handle spectral overlaps among oxygen (O<sub>2</sub>), ammonia (NH<sub>3</sub>), and acetone through the additional time-frequency information provided by spectral upscaling. Laboratory-based results demonstrate that our sensor achieves a detection limit of 14.97 ppb∗m, representing exceptional performances. Tests on human exhaled breath samples revealed that the sensor can detect acetone at ppb levels, with concentrations rising alongside increased lipid metabolism. Our optical sensor offers high accuracy and stability, demonstrating significant potential and value for non-invasive early diabetes diagnosis.</div></div>\",\"PeriodicalId\":435,\"journal\":{\"name\":\"Talanta\",\"volume\":\"292 \",\"pages\":\"Article 127965\"},\"PeriodicalIF\":5.6000,\"publicationDate\":\"2025-03-18\",\"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/S0039914025004552\",\"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/S0039914025004552","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
An optical sensor for ppb-level exhaled acetone detection based on UV-DOAS and spectral upscaling
The method of detecting acetone levels in breath presents a promising approach for monitoring diabetes mellitus (DM). Consequently, the detection of acetone in exhaled breath is garnering significant attention. However, using ultraviolet differential optical absorption spectroscopy (UV-DOAS) for detection of the exhaled acetone has rarely been proposed due to the complex composition of exhaled gases and the baseline drift caused by the acetone absorption feature. In this study, we present an optical sensor based on an improved UV-DOAS and spectral upgrading, enabling the detection of exhaled acetone in the sub-200 nm wavelength band for the first time. Firstly, the overall fitting process in the UV-DOAS was improved to segmental fitting to address the issue of baseline drift, resulting in a standard differential absorption spectrum for acetone. Secondly, a spectral upscaling concentration inversion method based on wavelet coefficient matrix is proposed. This helps effectively handle spectral overlaps among oxygen (O2), ammonia (NH3), and acetone through the additional time-frequency information provided by spectral upscaling. Laboratory-based results demonstrate that our sensor achieves a detection limit of 14.97 ppb∗m, representing exceptional performances. Tests on human exhaled breath samples revealed that the sensor can detect acetone at ppb levels, with concentrations rising alongside increased lipid metabolism. Our optical sensor offers high accuracy and stability, demonstrating significant potential and value for non-invasive early diabetes diagnosis.
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.