LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modes

Groundwater samples may contain thousands of organic pollutants from infiltration of surface water, sewer leakages, and to a minor extent from public water supply network losses. Polar (0 < log D <  - 2.0) and very polar substances (log D <  - 2.0) have been largely beyond the scope of appl...

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Detalles Bibliográficos
Autores: Labad, Francesc, Pérez, Sandra
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2024
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/356556
Acceso en línea:http://hdl.handle.net/10261/356556
https://api.elsevier.com/content/abstract/scopus_id/85191692184
Access Level:acceso abierto
Palabra clave:VAE
Industrial chemicals
LC-HRMS/MS Q Exactive Orbitrap
Pharmaceuticals
http://metadata.un.org/sdg/3
Ensure healthy lives and promote well-being for all at all ages
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spelling LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modesLabad, FrancescPérez, SandraVAEIndustrial chemicalsLC-HRMS/MS Q Exactive OrbitrapPharmaceuticalshttp://metadata.un.org/sdg/3Ensure healthy lives and promote well-being for all at all agesGroundwater samples may contain thousands of organic pollutants from infiltration of surface water, sewer leakages, and to a minor extent from public water supply network losses. Polar (0 < log D <  - 2.0) and very polar substances (log D <  - 2.0) have been largely beyond the scope of applied analytical methodologies in environmental monitoring because of challenges related to their extraction from the sample and subsequent chromatographic separation. In this study, we developed an analytical workflow for 96 pollutants covering a broad polarity range, including pharmaceuticals, industrial chemicals, and artificial sweeteners, potentially seeping through the soil in urban areas. The Besos aquifer located at the Northern-eastern edge of the city of Barcelona was chosen as a study area due to the deterioration of the quality of the aquifers over the past years and the proven presence of numerous pollutants. The methodology consisted of vacuum-assisted evaporation (VAE) followed by chromatographic separation of the sample on two columns with orthogonal retention mechanisms, namely, an HSS T3 column (modified C18) and a BEH amide column (HILIC). The analytes were detected by high-resolution mass spectrometry on a Q Exactive Orbitrap system in data-independent acquisition mode. Taking into consideration the retention as well as the peak shape, a Quality Score (QS) was assigned for each analyte to evaluate the quality of each chromatographic peak of each compound. While 67 compounds, including 19 polar and 48 moderately polar, were satisfactorily retained on an HSS T3, 29 compounds, including 14 highly polar, 14 polar, and one moderately polar, were analyzed in the BEH amide column. The optimized methodology was applied for the analysis of 89 out of 96 validated contaminants with satisfactory recoveries in samples collected from seven wells, providing low LODs (0.02 to 0.45 ng L-1) and LOQs (0.06 to 1.34 ng L-1). A number of highly polar and polar compounds not previously reported to occur in GW, including artificial sweeteners, pharmaceuticals, and industrial chemicals, were detected at concentrations as high as few μ g L-1.Open Access funding provided thanks to the CRUE-CSIC agreement with Springer Nature. This study has been financially supported by the EU through the PRIMA project (INWAT 201980E121) and the JPI project URBANWAT (PCI2019-103616. F.L.R acknowledges “Agencia Estatal de Investigación” from the Spanish Ministry of Science and Innovation and the IDAEA-CSIC, a Centre of Excellence Severo Ochoa (CEX2018-000794-S) for the predoctoral grant.Peer reviewedSpringerConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202420242024info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionhttp://hdl.handle.net/10261/356556https://api.elsevier.com/content/abstract/scopus_id/85191692184reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)InglésEnvironmental science and pollution research internationalhttps://doi.org/10.1007/s11356-024-33471-ySíinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3565562026-05-22T06:33:51Z
dc.title.none.fl_str_mv LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modes
title LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modes
spellingShingle LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modes
Labad, Francesc
VAE
Industrial chemicals
LC-HRMS/MS Q Exactive Orbitrap
Pharmaceuticals
http://metadata.un.org/sdg/3
Ensure healthy lives and promote well-being for all at all ages
title_short LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modes
title_full LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modes
title_fullStr LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modes
title_full_unstemmed LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modes
title_sort LC-MS analysis of polar and highly polar organic pollutants in Barcelona urban groundwater using orthogonal LC separation modes
dc.creator.none.fl_str_mv Labad, Francesc
Pérez, Sandra
author Labad, Francesc
author_facet Labad, Francesc
Pérez, Sandra
author_role author
author2 Pérez, Sandra
author2_role author
dc.contributor.none.fl_str_mv Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv VAE
Industrial chemicals
LC-HRMS/MS Q Exactive Orbitrap
Pharmaceuticals
http://metadata.un.org/sdg/3
Ensure healthy lives and promote well-being for all at all ages
topic VAE
Industrial chemicals
LC-HRMS/MS Q Exactive Orbitrap
Pharmaceuticals
http://metadata.un.org/sdg/3
Ensure healthy lives and promote well-being for all at all ages
description Groundwater samples may contain thousands of organic pollutants from infiltration of surface water, sewer leakages, and to a minor extent from public water supply network losses. Polar (0 < log D <  - 2.0) and very polar substances (log D <  - 2.0) have been largely beyond the scope of applied analytical methodologies in environmental monitoring because of challenges related to their extraction from the sample and subsequent chromatographic separation. In this study, we developed an analytical workflow for 96 pollutants covering a broad polarity range, including pharmaceuticals, industrial chemicals, and artificial sweeteners, potentially seeping through the soil in urban areas. The Besos aquifer located at the Northern-eastern edge of the city of Barcelona was chosen as a study area due to the deterioration of the quality of the aquifers over the past years and the proven presence of numerous pollutants. The methodology consisted of vacuum-assisted evaporation (VAE) followed by chromatographic separation of the sample on two columns with orthogonal retention mechanisms, namely, an HSS T3 column (modified C18) and a BEH amide column (HILIC). The analytes were detected by high-resolution mass spectrometry on a Q Exactive Orbitrap system in data-independent acquisition mode. Taking into consideration the retention as well as the peak shape, a Quality Score (QS) was assigned for each analyte to evaluate the quality of each chromatographic peak of each compound. While 67 compounds, including 19 polar and 48 moderately polar, were satisfactorily retained on an HSS T3, 29 compounds, including 14 highly polar, 14 polar, and one moderately polar, were analyzed in the BEH amide column. The optimized methodology was applied for the analysis of 89 out of 96 validated contaminants with satisfactory recoveries in samples collected from seven wells, providing low LODs (0.02 to 0.45 ng L-1) and LOQs (0.06 to 1.34 ng L-1). A number of highly polar and polar compounds not previously reported to occur in GW, including artificial sweeteners, pharmaceuticals, and industrial chemicals, were detected at concentrations as high as few μ g L-1.
publishDate 2024
dc.date.none.fl_str_mv 2024
2024
2024
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/356556
https://api.elsevier.com/content/abstract/scopus_id/85191692184
url http://hdl.handle.net/10261/356556
https://api.elsevier.com/content/abstract/scopus_id/85191692184
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Environmental science and pollution research international
https://doi.org/10.1007/s11356-024-33471-y
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.publisher.none.fl_str_mv Springer
publisher.none.fl_str_mv Springer
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
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