{"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}
引用次数: 0
Abstract
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.