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A Mass Spectrometry-Machine Learning Approach for Detecting Volatile Organic Compound Emissions for Early Fire Detection
[Image: see text] Mass spectrometry in parallel with real-time machine learning techniques were paired in a novel application to detect and identify chemically specific, early indicators of fires and near-fire events involving a set of selected materials: Mylar, Teflon, and poly(methyl methacrylate)...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10161216/ https://www.ncbi.nlm.nih.gov/pubmed/37079759 http://dx.doi.org/10.1021/jasms.2c00304 |
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author | Kingsley, Sarah Xu, Zhaoyi Jones, Brant Saleh, Joseph Orlando, Thomas M. |
author_facet | Kingsley, Sarah Xu, Zhaoyi Jones, Brant Saleh, Joseph Orlando, Thomas M. |
author_sort | Kingsley, Sarah |
collection | PubMed |
description | [Image: see text] Mass spectrometry in parallel with real-time machine learning techniques were paired in a novel application to detect and identify chemically specific, early indicators of fires and near-fire events involving a set of selected materials: Mylar, Teflon, and poly(methyl methacrylate) (PMMA). The volatile organic compounds emitted during the thermal decomposition of each of the three materials were characterized using a quadrupole mass spectrometer which scanned the 1–200 m/z range. CO(2), CH(3)CHO, and C(6)H(6) were the main volatiles detected during Mylar thermal decomposition, while Teflon’s thermal decomposition yielded CO(2) and a set of fluorocarbon compounds including CF(4,) C(2)F(4,) C(2)F(6), C(3)F(6,) CF(2)O, and CF(3)O. PMMA produced CO(2) and methyl methacrylate (MMA, C(5)H(8)O(2)). The mass spectral peak patterns observed during the thermal decomposition of each material were unique to that material and were therefore useful as chemical signatures. It was also observed that the chemical signatures remained consistent and detectable when multiple materials were heated together. Mass spectra data sets containing the chemical signatures for each material and mixtures were collected and analyzed using a random forest panel machine learning classification. The classification was tested and demonstrated 100% accuracy for single material spectra and an average of 92.3% accuracy for mixed material spectra. This investigation presents a novel technique for the real-time, chemically specific detection of fire related VOCs through mass spectrometry which shows promise as a more rapid and accurate method for detecting fires or near-fire events. |
format | Online Article Text |
id | pubmed-10161216 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-101612162023-05-06 A Mass Spectrometry-Machine Learning Approach for Detecting Volatile Organic Compound Emissions for Early Fire Detection Kingsley, Sarah Xu, Zhaoyi Jones, Brant Saleh, Joseph Orlando, Thomas M. J Am Soc Mass Spectrom [Image: see text] Mass spectrometry in parallel with real-time machine learning techniques were paired in a novel application to detect and identify chemically specific, early indicators of fires and near-fire events involving a set of selected materials: Mylar, Teflon, and poly(methyl methacrylate) (PMMA). The volatile organic compounds emitted during the thermal decomposition of each of the three materials were characterized using a quadrupole mass spectrometer which scanned the 1–200 m/z range. CO(2), CH(3)CHO, and C(6)H(6) were the main volatiles detected during Mylar thermal decomposition, while Teflon’s thermal decomposition yielded CO(2) and a set of fluorocarbon compounds including CF(4,) C(2)F(4,) C(2)F(6), C(3)F(6,) CF(2)O, and CF(3)O. PMMA produced CO(2) and methyl methacrylate (MMA, C(5)H(8)O(2)). The mass spectral peak patterns observed during the thermal decomposition of each material were unique to that material and were therefore useful as chemical signatures. It was also observed that the chemical signatures remained consistent and detectable when multiple materials were heated together. Mass spectra data sets containing the chemical signatures for each material and mixtures were collected and analyzed using a random forest panel machine learning classification. The classification was tested and demonstrated 100% accuracy for single material spectra and an average of 92.3% accuracy for mixed material spectra. This investigation presents a novel technique for the real-time, chemically specific detection of fire related VOCs through mass spectrometry which shows promise as a more rapid and accurate method for detecting fires or near-fire events. American Chemical Society 2023-04-20 /pmc/articles/PMC10161216/ /pubmed/37079759 http://dx.doi.org/10.1021/jasms.2c00304 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Kingsley, Sarah Xu, Zhaoyi Jones, Brant Saleh, Joseph Orlando, Thomas M. A Mass Spectrometry-Machine Learning Approach for Detecting Volatile Organic Compound Emissions for Early Fire Detection |
title | A Mass Spectrometry-Machine Learning Approach for
Detecting Volatile Organic Compound Emissions for Early Fire Detection |
title_full | A Mass Spectrometry-Machine Learning Approach for
Detecting Volatile Organic Compound Emissions for Early Fire Detection |
title_fullStr | A Mass Spectrometry-Machine Learning Approach for
Detecting Volatile Organic Compound Emissions for Early Fire Detection |
title_full_unstemmed | A Mass Spectrometry-Machine Learning Approach for
Detecting Volatile Organic Compound Emissions for Early Fire Detection |
title_short | A Mass Spectrometry-Machine Learning Approach for
Detecting Volatile Organic Compound Emissions for Early Fire Detection |
title_sort | mass spectrometry-machine learning approach for
detecting volatile organic compound emissions for early fire detection |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10161216/ https://www.ncbi.nlm.nih.gov/pubmed/37079759 http://dx.doi.org/10.1021/jasms.2c00304 |
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