Development of Nontargeted Workflow of Occupational Exposure by Infrared Ion Spectroscopy and Silicone Wristbands' Passive Sampling
A new approach using orthogonal analytical techniques is developed for chemical identification. High resolution mass spectrometry and infrared ion spectroscopy are applied through a 5-level confidence paradigm to demonstrate the effectiveness of nontargeted workflow for the identification of hazardous organophosphates. Triphenyl phosphate is used as a surrogate organophosphate for occupational exposure, and silicone wristbands are used to represent personal samplers. Spectral data of a target compound is combined with spectral data of the sodium adduct and quantum chemical calculations to achieve a confirmed identification. Here, we demonstrate a nontargeted workflow that identifies organophosphate exposure and provides a mechanism for selecting validated methods for quantitative analyses.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - year:2024 |
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| Enthalten in: |
Journal of the American Society for Mass Spectrometry - (2024) vom: 02. Apr. |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Kelly, John T [VerfasserIn] |
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| Links: |
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| Themen: |
Exposure |
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| Anmerkungen: |
Date Revised 02.04.2024 published: Print-Electronic Citation Status Publisher |
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| doi: |
10.1021/jasms.3c00400 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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NLM37053686X |
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| 520 | |a A new approach using orthogonal analytical techniques is developed for chemical identification. High resolution mass spectrometry and infrared ion spectroscopy are applied through a 5-level confidence paradigm to demonstrate the effectiveness of nontargeted workflow for the identification of hazardous organophosphates. Triphenyl phosphate is used as a surrogate organophosphate for occupational exposure, and silicone wristbands are used to represent personal samplers. Spectral data of a target compound is combined with spectral data of the sodium adduct and quantum chemical calculations to achieve a confirmed identification. Here, we demonstrate a nontargeted workflow that identifies organophosphate exposure and provides a mechanism for selecting validated methods for quantitative analyses | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a exposure | |
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| 700 | 1 | |a Houthuijs, Kas |e verfasserin |4 aut | |
| 700 | 1 | |a Martens, Jonathan |e verfasserin |4 aut | |
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