Jan Suchánek , Michal Dostál , Václav Nevrlý , Pavel Kubát , Hana Chaloupecká , Zdeněk Zelinger
{"title":"利用量子级联激光器进行悬臂增强光声光谱分析的化学计量学方法","authors":"Jan Suchánek , Michal Dostál , Václav Nevrlý , Pavel Kubát , Hana Chaloupecká , Zdeněk Zelinger","doi":"10.1016/j.jms.2024.111889","DOIUrl":null,"url":null,"abstract":"<div><p>Cantilever-enhanced Photoacoustic Spectroscopy in combination with Wavelength Modulation Spectroscopy was used for the multicomponent analysis of gases. Distributed feedback Quantum Cascade Laser tunable in the region of ∼ 1045 – 1048 cm<sup>−1</sup> was used as the excitation source. Principal component analysis (PCA) and Partial Least Squares (PLS) (the pls package in the statistical software R) methods were applied to a mixture of selected substances (methanol and ethanol) in the gas phase to both simulated (<span>www.spectraplot.com</span><svg><path></path></svg>) and experimentally acquired spectra, PCA predicting the number of substances and PLS its concentrations.</p></div>","PeriodicalId":16367,"journal":{"name":"Journal of Molecular Spectroscopy","volume":"400 ","pages":"Article 111889"},"PeriodicalIF":1.4000,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Chemometrics approach to Cantilever enhanced photoacoustic spectroscopy with Quantum Cascade lasers\",\"authors\":\"Jan Suchánek , Michal Dostál , Václav Nevrlý , Pavel Kubát , Hana Chaloupecká , Zdeněk Zelinger\",\"doi\":\"10.1016/j.jms.2024.111889\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Cantilever-enhanced Photoacoustic Spectroscopy in combination with Wavelength Modulation Spectroscopy was used for the multicomponent analysis of gases. Distributed feedback Quantum Cascade Laser tunable in the region of ∼ 1045 – 1048 cm<sup>−1</sup> was used as the excitation source. Principal component analysis (PCA) and Partial Least Squares (PLS) (the pls package in the statistical software R) methods were applied to a mixture of selected substances (methanol and ethanol) in the gas phase to both simulated (<span>www.spectraplot.com</span><svg><path></path></svg>) and experimentally acquired spectra, PCA predicting the number of substances and PLS its concentrations.</p></div>\",\"PeriodicalId\":16367,\"journal\":{\"name\":\"Journal of Molecular Spectroscopy\",\"volume\":\"400 \",\"pages\":\"Article 111889\"},\"PeriodicalIF\":1.4000,\"publicationDate\":\"2024-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Molecular Spectroscopy\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S002228522400016X\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Molecular Spectroscopy","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S002228522400016X","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
Chemometrics approach to Cantilever enhanced photoacoustic spectroscopy with Quantum Cascade lasers
Cantilever-enhanced Photoacoustic Spectroscopy in combination with Wavelength Modulation Spectroscopy was used for the multicomponent analysis of gases. Distributed feedback Quantum Cascade Laser tunable in the region of ∼ 1045 – 1048 cm−1 was used as the excitation source. Principal component analysis (PCA) and Partial Least Squares (PLS) (the pls package in the statistical software R) methods were applied to a mixture of selected substances (methanol and ethanol) in the gas phase to both simulated (www.spectraplot.com) and experimentally acquired spectra, PCA predicting the number of substances and PLS its concentrations.
期刊介绍：
The Journal of Molecular Spectroscopy presents experimental and theoretical articles on all subjects relevant to molecular spectroscopy and its modern applications. An international medium for the publication of some of the most significant research in the field, the Journal of Molecular Spectroscopy is an invaluable resource for astrophysicists, chemists, physicists, engineers, and others involved in molecular spectroscopy research and practice.
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