HRMS-based suspect screening of pharmaceuticals and their transformation products in multiple environmental compartments: An alternative to target analysis?
dc.contributor.author
dc.date.accessioned
2024-01-24T11:23:08Z
dc.date.available
2024-01-24T11:23:08Z
dc.date.issued
2024-03-05
dc.identifier.issn
0304-3894
dc.identifier.uri
dc.description.abstract
The comprehensive monitoring of pharmaceutically active compounds (PhACs) in the environment is challenging given the myriad of substances continuously discharged, the increasing number of new compounds being produced (and released), or the variety of the associated human metabolites and transformation products (TPs). Approaches such as high-resolution mass spectrometry (HRMS)-based suspect analysis have emerged to overcome the drawbacks of classical target analytical methods, e.g., restricted chemical coverage. In this study, we assess the readiness of HRMS-based suspect screening to replace or rather complement target methodologies by comparing the performance of both approaches in terms of i) detection of PhACs in various environmental samples (water, sediments, biofilm, fish plasma, muscle and liver) in a field study; ii) PhACs (semi)quantification and iii) prediction of their environmental risks. Our findings revealed that target strategies alone significantly underestimate the variety of PhACs potentially impacting the environment. However, relying solely on suspect strategies can misjudge the presence and risk of low-level but potentially risky PhACs. Additionally, semiquantitative approaches, despite slightly overestimating concentrations, can provide a realistic overview of PhACs concentrations. Hence, it is recommended to adopt a combined strategy that first evaluates suspected threats and subsequently includes the relevant ones in the established target methodologies
dc.description.sponsorship
This work was supported by the Spanish Inter-Ministerial Science and Technology Commission through the PLAS-MED project (CICYT, CTM2017-89701-C3), the European Union through the European Regional Development Fund (ERDF), and the Spanish State Research Agency of the Spanish Ministry of Science, and Next Generation EU/PRTR (Project PCI2021_121929: ARENA). J.M. Castaño Ortiz acknowledges the predoctoral grant from AGAUR (2019 FI_B 00881REF). P. Gago-Ferrero acknowledges his Ramón y Cajal fellowship (RYC2019-027913-I) from the AEI-MICI. The authors are grateful for funding from the CERCA Programme, Generalitat de Catalunya. The Ultra-Performance Liquid Chromatograph coupled to a triple Quadrupole hybrid Linear Ion Trap Detector (Acquity UPLC-MS QTRAP 5500, Waters-SCIEX) received support from the CERCAGINYS programme, funded by the Spanish Ministry of Science and Innovation. The authors acknowledge the support of the Economy and Knowledge Department of the Catalan Government through a Consolidated Research Group (ICRA-ENV – 2021 SGR 01282).
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Elsevier
dc.relation.isformatof
Reproducció digital del document publicat a: https://doi.org/10.1016/j.jhazmat.2023.132974
dc.relation.ispartof
Journal of Hazardous Materials, 2024, vol. 465, art. núm. 132974
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Articles publicats (ICRA)
dc.rights
Attribution-NonCommercial-NoDerivatives 4.0 International
dc.rights.uri
dc.subject
dc.title
HRMS-based suspect screening of pharmaceuticals and their transformation products in multiple environmental compartments: An alternative to target analysis?
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/openAccess
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.type.peerreviewed
peer-reviewed
dc.identifier.eissn
1873-3336