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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)...

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Autores principales: Kingsley, Sarah, Xu, Zhaoyi, Jones, Brant, Saleh, Joseph, Orlando, Thomas M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
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.
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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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