{"title":"高通量免校准激光诱导击穿光谱仪","authors":"Tarojiro Matsumura*, Tomoko Takahashi, Kenji Nagata, Yasunobu Ando, Akira Yada, Blair Thornton and Tatsu Kuwatani, ","doi":"10.1021/acsearthspacechem.4c00067","DOIUrl":null,"url":null,"abstract":"<p >Laser-induced breakdown spectroscopy (LIBS) offers a noninvasive, label-free technique for chemical analysis in challenging environments, including for deep-sea mineral resource evaluation and extra-terrestrial geology. We aim to improve the usefulness of LIBS spectral analysis in these applications. We propose an efficient, systematic procedure that uses calibration-free LIBS (CF-LIBS) to quantitatively estimate chemical compositions. This method combines baseline estimation and denoising using sparsity with the spectrum-adapted expectation–conditional maximization algorithm, enabling nonlinear background subtraction and high-throughput peak fitting. In addition, we introduce a Boltzmann plot regression based on Student’s <i>t</i>-distribution that is robust against outliers. These techniques allow the chemical composition of metal and rock samples to be estimated using the CF-LIBS method, demonstrating its potential for use in comprehensive geological surveys in deep-sea and extra-terrestrial environments.</p>","PeriodicalId":15,"journal":{"name":"ACS Earth and Space Chemistry","volume":null,"pages":null},"PeriodicalIF":2.9000,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/epdf/10.1021/acsearthspacechem.4c00067","citationCount":"0","resultStr":"{\"title\":\"High-Throughput Calibration-Free Laser-Induced Breakdown Spectroscopy\",\"authors\":\"Tarojiro Matsumura*, Tomoko Takahashi, Kenji Nagata, Yasunobu Ando, Akira Yada, Blair Thornton and Tatsu Kuwatani, \",\"doi\":\"10.1021/acsearthspacechem.4c00067\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >Laser-induced breakdown spectroscopy (LIBS) offers a noninvasive, label-free technique for chemical analysis in challenging environments, including for deep-sea mineral resource evaluation and extra-terrestrial geology. We aim to improve the usefulness of LIBS spectral analysis in these applications. We propose an efficient, systematic procedure that uses calibration-free LIBS (CF-LIBS) to quantitatively estimate chemical compositions. This method combines baseline estimation and denoising using sparsity with the spectrum-adapted expectation–conditional maximization algorithm, enabling nonlinear background subtraction and high-throughput peak fitting. In addition, we introduce a Boltzmann plot regression based on Student’s <i>t</i>-distribution that is robust against outliers. These techniques allow the chemical composition of metal and rock samples to be estimated using the CF-LIBS method, demonstrating its potential for use in comprehensive geological surveys in deep-sea and extra-terrestrial environments.</p>\",\"PeriodicalId\":15,\"journal\":{\"name\":\"ACS Earth and Space Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2024-06-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://pubs.acs.org/doi/epdf/10.1021/acsearthspacechem.4c00067\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Earth and Space Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acsearthspacechem.4c00067\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Earth and Space Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acsearthspacechem.4c00067","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
激光诱导击穿光谱(LIBS)提供了一种非侵入式、无标记的技术,可用于挑战性环境中的化学分析,包括深海矿物资源评估和地外地质学。我们的目标是提高 LIBS 光谱分析在这些应用中的实用性。我们提出了一种高效、系统的程序,利用免校准 LIBS(CF-LIBS)来定量估算化学成分。该方法将基线估算和利用稀疏性去噪与光谱适应的期望条件最大化算法相结合,实现了非线性背景减除和高通量峰值拟合。此外,我们还引入了一种基于学生 t 分布的波尔兹曼图回归方法,该方法对异常值具有鲁棒性。通过这些技术,可以使用 CF-LIBS 方法估算金属和岩石样本的化学成分,从而证明其在深海和地外环境的综合地质调查中的应用潜力。
Laser-induced breakdown spectroscopy (LIBS) offers a noninvasive, label-free technique for chemical analysis in challenging environments, including for deep-sea mineral resource evaluation and extra-terrestrial geology. We aim to improve the usefulness of LIBS spectral analysis in these applications. We propose an efficient, systematic procedure that uses calibration-free LIBS (CF-LIBS) to quantitatively estimate chemical compositions. This method combines baseline estimation and denoising using sparsity with the spectrum-adapted expectation–conditional maximization algorithm, enabling nonlinear background subtraction and high-throughput peak fitting. In addition, we introduce a Boltzmann plot regression based on Student’s t-distribution that is robust against outliers. These techniques allow the chemical composition of metal and rock samples to be estimated using the CF-LIBS method, demonstrating its potential for use in comprehensive geological surveys in deep-sea and extra-terrestrial environments.
期刊介绍:
The scope of ACS Earth and Space Chemistry includes the application of analytical, experimental and theoretical chemistry to investigate research questions relevant to the Earth and Space. The journal encompasses the highly interdisciplinary nature of research in this area, while emphasizing chemistry and chemical research tools as the unifying theme. The journal publishes broadly in the domains of high- and low-temperature geochemistry, atmospheric chemistry, marine chemistry, planetary chemistry, astrochemistry, and analytical geochemistry. ACS Earth and Space Chemistry publishes Articles, Letters, Reviews, and Features to provide flexible formats to readily communicate all aspects of research in these fields.