Target and untargeted screening of perfluoroalkyl substances in biota using liquid chromatography coupled to quadrupole time of flight mass spectrometry
Perfluoroalkyl substances (PFAS) are known to bioaccumulate and trigger adverse effects in marine birds. This study develops an extraction and analytical methodology for the target/untargeted analysis of PFAS in eggs of Yellow-legged gull (Larus michahellis) and Audouin's gull (Larus audouinii) and blood of Greater flamingo (Phoenicopterus roseus), which are used as bioindicators of organic chemical pollution. Samples were extracted by ultrasonication with acetonitrile and cleaned-up with activated carbon, and analysis was performed by ultra-high-performance liquid chromatography coupled to a quadrupole-time of flight mass spectrometer (UHPLC-Q-TOF) with negative electrospray ionization. Data-independent acquisition (DIA) was performed through full-scan acquisition to obtain MS1 at 6 eV and MS2 at 30 eV. In a first step, quantitative analysis of 25 PFAS was performed using 9 mass-labelled internal standard PFAS and quality parameters of the method developed are provided. Then, an untargeted screening workflow is proposed using the high-resolution PFAS library database from NORMAN to identify new chemicals through accurate mass measurement of MS1 and MS2 signals. The method permitted to detect several PFAS at concentrations ranging from 0.45 to 55.2 ng/g wet weight in gull eggs and from 0.75 to 125 ng/mL wet weight in flamingos' blood, with PFOS, PFOA, PFNA, PFUdA, PFTrDA, PFDoA, PFHxS and PFHpA the main compounds detected. In addition, perfluoro-p-ethylcyclohexylsulfonic acid (PFECHS, CAS number 646-83-3) and 2-(perfluorohexyl)ethanol (6:2 FTOH, CAS number 647-42-7) were tentatively identified. The developed UHPLC-Q-TOF target/untargeted analytical approach increases the scope of PFAS analysis, enabling a better assessment on contaminant exposure and promoting the use of bird species as bioindicators of chemical pollution.
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Language: | English |
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Elsevier
2023-07-19
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Subjects: | Time-of-flight, Bioindicators, Birds, High-resolution mass spectrometry, PFAS, http://metadata.un.org/sdg/3, Ensure healthy lives and promote well-being for all at all ages, |
Online Access: | http://hdl.handle.net/10261/309835 http://dx.doi.org/10.13039/501100004837 https://api.elsevier.com/content/abstract/scopus_id/85159365888 |
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dig-idaea-es-10261-3098352024-05-18T20:39:34Z Target and untargeted screening of perfluoroalkyl substances in biota using liquid chromatography coupled to quadrupole time of flight mass spectrometry Oró-Nolla, Bernat Dulsat-Masvidal, María Bertolero, A. Lopez-Antia, A. Lacorte Bruguera, Silvia Ministerio de Ciencia e Innovación (España) 0000-0002-5912-4732 0000-0002-7677-1333 0000-0002-6834-2600 Time-of-flight Bioindicators Birds High-resolution mass spectrometry PFAS http://metadata.un.org/sdg/3 Ensure healthy lives and promote well-being for all at all ages Perfluoroalkyl substances (PFAS) are known to bioaccumulate and trigger adverse effects in marine birds. This study develops an extraction and analytical methodology for the target/untargeted analysis of PFAS in eggs of Yellow-legged gull (Larus michahellis) and Audouin's gull (Larus audouinii) and blood of Greater flamingo (Phoenicopterus roseus), which are used as bioindicators of organic chemical pollution. Samples were extracted by ultrasonication with acetonitrile and cleaned-up with activated carbon, and analysis was performed by ultra-high-performance liquid chromatography coupled to a quadrupole-time of flight mass spectrometer (UHPLC-Q-TOF) with negative electrospray ionization. Data-independent acquisition (DIA) was performed through full-scan acquisition to obtain MS1 at 6 eV and MS2 at 30 eV. In a first step, quantitative analysis of 25 PFAS was performed using 9 mass-labelled internal standard PFAS and quality parameters of the method developed are provided. Then, an untargeted screening workflow is proposed using the high-resolution PFAS library database from NORMAN to identify new chemicals through accurate mass measurement of MS1 and MS2 signals. The method permitted to detect several PFAS at concentrations ranging from 0.45 to 55.2 ng/g wet weight in gull eggs and from 0.75 to 125 ng/mL wet weight in flamingos' blood, with PFOS, PFOA, PFNA, PFUdA, PFTrDA, PFDoA, PFHxS and PFHpA the main compounds detected. In addition, perfluoro-p-ethylcyclohexylsulfonic acid (PFECHS, CAS number 646-83-3) and 2-(perfluorohexyl)ethanol (6:2 FTOH, CAS number 647-42-7) were tentatively identified. The developed UHPLC-Q-TOF target/untargeted analytical approach increases the scope of PFAS analysis, enabling a better assessment on contaminant exposure and promoting the use of bird species as bioindicators of chemical pollution. The Spanish Ministry of Science and Innovation is acknowledged for financial support [PID2019-105732GB-C21] from MCIN/AEI/10.13039/501100011033. This study was also supported by the “Agencia Estatal de Investigación” from the Spanish Ministry of Science and Innovation and the IDAEA-CSIC, a center of Excellence Severo Ochoa (CEX2018-000794-S). We thank the Ebro Delta Natural Park, especially Francesc Vidal and Toni Curcó, for the opportunity to obtain the samples and the team of veterinaries for the extraction of the samples. Dr. Roser Chaler and Alex García are acknowledged for the support and training in the UHPLC-Q-TOF analysis. Jessica Patrone is acknowledged for her help in sample analysis. Peer reviewed 2023-05-29T08:38:49Z 2023-05-29T08:38:49Z 2023-07-19 artículo http://purl.org/coar/resource_type/c_6501 Journal of Chromatography A 1701: 464066 (2023) 00219673 http://hdl.handle.net/10261/309835 10.1016/j.chroma.2023.464066 http://dx.doi.org/10.13039/501100004837 37207413 2-s2.0-85159365888 https://api.elsevier.com/content/abstract/scopus_id/85159365888 en #PLACEHOLDER_PARENT_METADATA_VALUE# info:eu-repo/grantAgreementMCIN/AEI/10.13039/501100011033 Journal of chromatography. A Postprint https://doi.org/10.1016/j.chroma.2023.464066 Sí open Elsevier |
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Time-of-flight Bioindicators Birds High-resolution mass spectrometry PFAS http://metadata.un.org/sdg/3 Ensure healthy lives and promote well-being for all at all ages Time-of-flight Bioindicators Birds High-resolution mass spectrometry PFAS http://metadata.un.org/sdg/3 Ensure healthy lives and promote well-being for all at all ages |
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Time-of-flight Bioindicators Birds High-resolution mass spectrometry PFAS http://metadata.un.org/sdg/3 Ensure healthy lives and promote well-being for all at all ages Time-of-flight Bioindicators Birds High-resolution mass spectrometry PFAS http://metadata.un.org/sdg/3 Ensure healthy lives and promote well-being for all at all ages Oró-Nolla, Bernat Dulsat-Masvidal, María Bertolero, A. Lopez-Antia, A. Lacorte Bruguera, Silvia Target and untargeted screening of perfluoroalkyl substances in biota using liquid chromatography coupled to quadrupole time of flight mass spectrometry |
description |
Perfluoroalkyl substances (PFAS) are known to bioaccumulate and trigger adverse effects in marine birds. This study develops an extraction and analytical methodology for the target/untargeted analysis of PFAS in eggs of Yellow-legged gull (Larus michahellis) and Audouin's gull (Larus audouinii) and blood of Greater flamingo (Phoenicopterus roseus), which are used as bioindicators of organic chemical pollution. Samples were extracted by ultrasonication with acetonitrile and cleaned-up with activated carbon, and analysis was performed by ultra-high-performance liquid chromatography coupled to a quadrupole-time of flight mass spectrometer (UHPLC-Q-TOF) with negative electrospray ionization. Data-independent acquisition (DIA) was performed through full-scan acquisition to obtain MS1 at 6 eV and MS2 at 30 eV. In a first step, quantitative analysis of 25 PFAS was performed using 9 mass-labelled internal standard PFAS and quality parameters of the method developed are provided. Then, an untargeted screening workflow is proposed using the high-resolution PFAS library database from NORMAN to identify new chemicals through accurate mass measurement of MS1 and MS2 signals. The method permitted to detect several PFAS at concentrations ranging from 0.45 to 55.2 ng/g wet weight in gull eggs and from 0.75 to 125 ng/mL wet weight in flamingos' blood, with PFOS, PFOA, PFNA, PFUdA, PFTrDA, PFDoA, PFHxS and PFHpA the main compounds detected. In addition, perfluoro-p-ethylcyclohexylsulfonic acid (PFECHS, CAS number 646-83-3) and 2-(perfluorohexyl)ethanol (6:2 FTOH, CAS number 647-42-7) were tentatively identified. The developed UHPLC-Q-TOF target/untargeted analytical approach increases the scope of PFAS analysis, enabling a better assessment on contaminant exposure and promoting the use of bird species as bioindicators of chemical pollution. |
author2 |
Ministerio de Ciencia e Innovación (España) |
author_facet |
Ministerio de Ciencia e Innovación (España) Oró-Nolla, Bernat Dulsat-Masvidal, María Bertolero, A. Lopez-Antia, A. Lacorte Bruguera, Silvia |
format |
artículo |
topic_facet |
Time-of-flight Bioindicators Birds High-resolution mass spectrometry PFAS http://metadata.un.org/sdg/3 Ensure healthy lives and promote well-being for all at all ages |
author |
Oró-Nolla, Bernat Dulsat-Masvidal, María Bertolero, A. Lopez-Antia, A. Lacorte Bruguera, Silvia |
author_sort |
Oró-Nolla, Bernat |
title |
Target and untargeted screening of perfluoroalkyl substances in biota using liquid chromatography coupled to quadrupole time of flight mass spectrometry |
title_short |
Target and untargeted screening of perfluoroalkyl substances in biota using liquid chromatography coupled to quadrupole time of flight mass spectrometry |
title_full |
Target and untargeted screening of perfluoroalkyl substances in biota using liquid chromatography coupled to quadrupole time of flight mass spectrometry |
title_fullStr |
Target and untargeted screening of perfluoroalkyl substances in biota using liquid chromatography coupled to quadrupole time of flight mass spectrometry |
title_full_unstemmed |
Target and untargeted screening of perfluoroalkyl substances in biota using liquid chromatography coupled to quadrupole time of flight mass spectrometry |
title_sort |
target and untargeted screening of perfluoroalkyl substances in biota using liquid chromatography coupled to quadrupole time of flight mass spectrometry |
publisher |
Elsevier |
publishDate |
2023-07-19 |
url |
http://hdl.handle.net/10261/309835 http://dx.doi.org/10.13039/501100004837 https://api.elsevier.com/content/abstract/scopus_id/85159365888 |
work_keys_str_mv |
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