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Targeted LC-MS Orbitrap Method for the Analysis of Azaarenes, and Nitrated and Oxygenated PAHs in Road Paving Emissions

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Title: Targeted LC-MS Orbitrap Method for the Analysis of Azaarenes, and Nitrated and Oxygenated PAHs in Road Paving Emissions
Authors: Maria Bou Saad, Sylvain Ravier, Amandine Durand, Brice Temime-Roussel, Vincent Gaudefroy, Audrey Pevere, Henri Wortham, Pierre Doumenq
Source: Molecules, Vol 30, Iss 16, p 3397 (2025)
Publisher Information: MDPI AG, 2025.
Publication Year: 2025
Collection: LCC:Organic chemistry
Subject Terms: PAH derivatives, LC-HRMS, trace-level quantification, azaarenes, nitrated PAH, oxygenated PAH, Organic chemistry, QD241-441
Description: Polycyclic aromatic hydrocarbon (PAH) derivatives, specifically azaarenes and nitrated and oxygenated PAHs, are emerging contaminants of concern due to their increased toxicity and persistence compared to the parent PAHs. Despite their toxicity, their simultaneous analysis in complex matrices, such as in fumes emitted from bituminous mixtures, remains challenging due to limitations of conventional analytical techniques. To address this, an advanced methodology was developed using Ultra-High-Performance Liquid Chromatography coupled with High-Resolution Mass Spectrometry (UHPLC-HRMS Orbitrap Eclipse) equipped with an APCI source for the simultaneous identification and quantification of 14 PAH derivatives. Chromatographic and ionization parameters were optimized to ensure maximum sensitivity and selectivity. Following ICH Q2(R2) guidelines, the method was validated, demonstrating excellent linearity (R2 > 0.99), high mass accuracy (≤5 ppm), strong precision (−1 to 0.6 µg L−1 and limits of quantification (LOQs) ranged from 0.26 µg L−1 to 1.87 µg L−1. The validated method was successfully applied to emissions from asphalt pavement materials collected on quartz filters under controlled conditions, enabling the identification and quantification of all 14 targeted compounds. These results confirm the method’s robustness and suitability for trace-level analysis of PAH derivatives in complex environmental matrices.
Document Type: article
File Description: electronic resource
Language: English
ISSN: 1420-3049
Relation: https://www.mdpi.com/1420-3049/30/16/3397; https://doaj.org/toc/1420-3049
DOI: 10.3390/molecules30163397
Access URL: https://doaj.org/article/cd49783a5298448b99eea1123611b1ca
Accession Number: edsdoj.49783a5298448b99eea1123611b1ca
Database: Directory of Open Access Journals
Description
Abstract:Polycyclic aromatic hydrocarbon (PAH) derivatives, specifically azaarenes and nitrated and oxygenated PAHs, are emerging contaminants of concern due to their increased toxicity and persistence compared to the parent PAHs. Despite their toxicity, their simultaneous analysis in complex matrices, such as in fumes emitted from bituminous mixtures, remains challenging due to limitations of conventional analytical techniques. To address this, an advanced methodology was developed using Ultra-High-Performance Liquid Chromatography coupled with High-Resolution Mass Spectrometry (UHPLC-HRMS Orbitrap Eclipse) equipped with an APCI source for the simultaneous identification and quantification of 14 PAH derivatives. Chromatographic and ionization parameters were optimized to ensure maximum sensitivity and selectivity. Following ICH Q2(R2) guidelines, the method was validated, demonstrating excellent linearity (R2 > 0.99), high mass accuracy (≤5 ppm), strong precision (−1 to 0.6 µg L−1 and limits of quantification (LOQs) ranged from 0.26 µg L−1 to 1.87 µg L−1. The validated method was successfully applied to emissions from asphalt pavement materials collected on quartz filters under controlled conditions, enabling the identification and quantification of all 14 targeted compounds. These results confirm the method’s robustness and suitability for trace-level analysis of PAH derivatives in complex environmental matrices.
ISSN:14203049
DOI:10.3390/molecules30163397