Seawater analysis by ambient mass-spectrometry-based seaomics

Autores
Zabalegui, Nicolás; Manzi, Malena; Depoorter, Antoine; Hayeck, Nathalie; Roveretto, Marie; Li, Chunlin; Van Pinxteren, Manuela; Herrmann, Hartmut; George, Christian; Monge, Maria Eugenia
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
An analytical method coupled to multivariate statistical analysis was developed based on transmissionmode direct analysis in real-time quadrupole time-of-flight mass spectrometry (TM-DART-QTOF-MS) to interrogate lipophilic compounds in seawater samples without the need for desalinization. An untargeted metabolomics approach is addressed here as seaomics and was successfully implemented to discriminate the sea surface microlayer (SML) from the underlying water (ULW) samples (n D 22, 10 paired samples) collected during a field campaign at the Cabo Verde islands during September-October 2017. A panel of 11 ionic species detected in all samples allowed sample class discrimination by means of supervised multivariate statistical models. Tentative identification of the species enriched in the SML samples suggests that fatty alcohols, halogenated compounds, and oxygenated boron-containing organic compounds are available at the surface for air-water transfer processes. A subset of SML samples (n D 5) were subjected to on-site experiments during the campaign by using a lab-tofield approach to test their secondary organic aerosol (SOA) formation potency. The results from these experiments and the analytical seaomics strategy provide a proof of a concept that can be used for an approach to identifying organic molecules involved in aerosol formation processes at the air- water interface.
Fil: Zabalegui, Nicolás. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; Argentina
Fil: Manzi, Malena. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; Argentina
Fil: Depoorter, Antoine. Universite Lyon 2; Francia
Fil: Hayeck, Nathalie. Universite Lyon 2; Francia
Fil: Roveretto, Marie. Leibniz Institute for Tropospheric Research ; Alemania
Fil: Li, Chunlin. Leibniz Institute for Tropospheric Research ; Alemania
Fil: Van Pinxteren, Manuela. Leibniz Institute for Tropospheric Research ; Alemania
Fil: Herrmann, Hartmut. Leibniz Institute for Tropospheric Research ; Alemania
Fil: George, Christian. Universite Lyon 2; Francia
Fil: Monge, Maria Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; Argentina
Materia
SEAOMICS
UNTARGETED METABOLOMICS
AMBIENT MASS SPECTROMETRY
DART
SEA SURFACE MICROLAYER
DISSOLVED ORGANIC MATTER
MULTIVARIATE STATISTICAL ANALYSIS
SECONDARY ORGANIC AEROSOL FORMATION
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/138541
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/138541
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Seawater analysis by ambient mass-spectrometry-based seaomicsZabalegui, NicolásManzi, MalenaDepoorter, AntoineHayeck, NathalieRoveretto, MarieLi, ChunlinVan Pinxteren, ManuelaHerrmann, HartmutGeorge, ChristianMonge, Maria EugeniaSEAOMICSUNTARGETED METABOLOMICSAMBIENT MASS SPECTROMETRYDARTSEA SURFACE MICROLAYERDISSOLVED ORGANIC MATTERMULTIVARIATE STATISTICAL ANALYSISSECONDARY ORGANIC AEROSOL FORMATIONhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1An analytical method coupled to multivariate statistical analysis was developed based on transmissionmode direct analysis in real-time quadrupole time-of-flight mass spectrometry (TM-DART-QTOF-MS) to interrogate lipophilic compounds in seawater samples without the need for desalinization. An untargeted metabolomics approach is addressed here as seaomics and was successfully implemented to discriminate the sea surface microlayer (SML) from the underlying water (ULW) samples (n D 22, 10 paired samples) collected during a field campaign at the Cabo Verde islands during September-October 2017. A panel of 11 ionic species detected in all samples allowed sample class discrimination by means of supervised multivariate statistical models. Tentative identification of the species enriched in the SML samples suggests that fatty alcohols, halogenated compounds, and oxygenated boron-containing organic compounds are available at the surface for air-water transfer processes. A subset of SML samples (n D 5) were subjected to on-site experiments during the campaign by using a lab-tofield approach to test their secondary organic aerosol (SOA) formation potency. The results from these experiments and the analytical seaomics strategy provide a proof of a concept that can be used for an approach to identifying organic molecules involved in aerosol formation processes at the air- water interface.Fil: Zabalegui, Nicolás. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; ArgentinaFil: Manzi, Malena. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; ArgentinaFil: Depoorter, Antoine. Universite Lyon 2; FranciaFil: Hayeck, Nathalie. Universite Lyon 2; FranciaFil: Roveretto, Marie. Leibniz Institute for Tropospheric Research ; AlemaniaFil: Li, Chunlin. Leibniz Institute for Tropospheric Research ; AlemaniaFil: Van Pinxteren, Manuela. Leibniz Institute for Tropospheric Research ; AlemaniaFil: Herrmann, Hartmut. Leibniz Institute for Tropospheric Research ; AlemaniaFil: George, Christian. Universite Lyon 2; FranciaFil: Monge, Maria Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; ArgentinaCopernicus Publications2020-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/138541Zabalegui, Nicolás; Manzi, Malena; Depoorter, Antoine; Hayeck, Nathalie; Roveretto, Marie; et al.; Seawater analysis by ambient mass-spectrometry-based seaomics; Copernicus Publications; Atmospheric Chemistry and Physics; 20; 10; 5-2020; 6243-62571680-73161680-7324CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://acp.copernicus.org/articles/20/6243/2020/info:eu-repo/semantics/altIdentifier/doi/10.5194/acp-20-6243-2020info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:57:25Zoai:ri.conicet.gov.ar:11336/138541instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:57:25.958CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Seawater analysis by ambient mass-spectrometry-based seaomics
title Seawater analysis by ambient mass-spectrometry-based seaomics
spellingShingle Seawater analysis by ambient mass-spectrometry-based seaomics
Zabalegui, Nicolás
SEAOMICS
UNTARGETED METABOLOMICS
AMBIENT MASS SPECTROMETRY
DART
SEA SURFACE MICROLAYER
DISSOLVED ORGANIC MATTER
MULTIVARIATE STATISTICAL ANALYSIS
SECONDARY ORGANIC AEROSOL FORMATION
title_short Seawater analysis by ambient mass-spectrometry-based seaomics
title_full Seawater analysis by ambient mass-spectrometry-based seaomics
title_fullStr Seawater analysis by ambient mass-spectrometry-based seaomics
title_full_unstemmed Seawater analysis by ambient mass-spectrometry-based seaomics
title_sort Seawater analysis by ambient mass-spectrometry-based seaomics
dc.creator.none.fl_str_mv Zabalegui, Nicolás
Manzi, Malena
Depoorter, Antoine
Hayeck, Nathalie
Roveretto, Marie
Li, Chunlin
Van Pinxteren, Manuela
Herrmann, Hartmut
George, Christian
Monge, Maria Eugenia
author Zabalegui, Nicolás
author_facet Zabalegui, Nicolás
Manzi, Malena
Depoorter, Antoine
Hayeck, Nathalie
Roveretto, Marie
Li, Chunlin
Van Pinxteren, Manuela
Herrmann, Hartmut
George, Christian
Monge, Maria Eugenia
author_role author
author2 Manzi, Malena
Depoorter, Antoine
Hayeck, Nathalie
Roveretto, Marie
Li, Chunlin
Van Pinxteren, Manuela
Herrmann, Hartmut
George, Christian
Monge, Maria Eugenia
author2_role author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv SEAOMICS
UNTARGETED METABOLOMICS
AMBIENT MASS SPECTROMETRY
DART
SEA SURFACE MICROLAYER
DISSOLVED ORGANIC MATTER
MULTIVARIATE STATISTICAL ANALYSIS
SECONDARY ORGANIC AEROSOL FORMATION
topic SEAOMICS
UNTARGETED METABOLOMICS
AMBIENT MASS SPECTROMETRY
DART
SEA SURFACE MICROLAYER
DISSOLVED ORGANIC MATTER
MULTIVARIATE STATISTICAL ANALYSIS
SECONDARY ORGANIC AEROSOL FORMATION
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv An analytical method coupled to multivariate statistical analysis was developed based on transmissionmode direct analysis in real-time quadrupole time-of-flight mass spectrometry (TM-DART-QTOF-MS) to interrogate lipophilic compounds in seawater samples without the need for desalinization. An untargeted metabolomics approach is addressed here as seaomics and was successfully implemented to discriminate the sea surface microlayer (SML) from the underlying water (ULW) samples (n D 22, 10 paired samples) collected during a field campaign at the Cabo Verde islands during September-October 2017. A panel of 11 ionic species detected in all samples allowed sample class discrimination by means of supervised multivariate statistical models. Tentative identification of the species enriched in the SML samples suggests that fatty alcohols, halogenated compounds, and oxygenated boron-containing organic compounds are available at the surface for air-water transfer processes. A subset of SML samples (n D 5) were subjected to on-site experiments during the campaign by using a lab-tofield approach to test their secondary organic aerosol (SOA) formation potency. The results from these experiments and the analytical seaomics strategy provide a proof of a concept that can be used for an approach to identifying organic molecules involved in aerosol formation processes at the air- water interface.
Fil: Zabalegui, Nicolás. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Química Inorgánica, Analítica y Química Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; Argentina
Fil: Manzi, Malena. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; Argentina
Fil: Depoorter, Antoine. Universite Lyon 2; Francia
Fil: Hayeck, Nathalie. Universite Lyon 2; Francia
Fil: Roveretto, Marie. Leibniz Institute for Tropospheric Research ; Alemania
Fil: Li, Chunlin. Leibniz Institute for Tropospheric Research ; Alemania
Fil: Van Pinxteren, Manuela. Leibniz Institute for Tropospheric Research ; Alemania
Fil: Herrmann, Hartmut. Leibniz Institute for Tropospheric Research ; Alemania
Fil: George, Christian. Universite Lyon 2; Francia
Fil: Monge, Maria Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; Argentina
description An analytical method coupled to multivariate statistical analysis was developed based on transmissionmode direct analysis in real-time quadrupole time-of-flight mass spectrometry (TM-DART-QTOF-MS) to interrogate lipophilic compounds in seawater samples without the need for desalinization. An untargeted metabolomics approach is addressed here as seaomics and was successfully implemented to discriminate the sea surface microlayer (SML) from the underlying water (ULW) samples (n D 22, 10 paired samples) collected during a field campaign at the Cabo Verde islands during September-October 2017. A panel of 11 ionic species detected in all samples allowed sample class discrimination by means of supervised multivariate statistical models. Tentative identification of the species enriched in the SML samples suggests that fatty alcohols, halogenated compounds, and oxygenated boron-containing organic compounds are available at the surface for air-water transfer processes. A subset of SML samples (n D 5) were subjected to on-site experiments during the campaign by using a lab-tofield approach to test their secondary organic aerosol (SOA) formation potency. The results from these experiments and the analytical seaomics strategy provide a proof of a concept that can be used for an approach to identifying organic molecules involved in aerosol formation processes at the air- water interface.
publishDate 2020
dc.date.none.fl_str_mv 2020-05
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/138541
Zabalegui, Nicolás; Manzi, Malena; Depoorter, Antoine; Hayeck, Nathalie; Roveretto, Marie; et al.; Seawater analysis by ambient mass-spectrometry-based seaomics; Copernicus Publications; Atmospheric Chemistry and Physics; 20; 10; 5-2020; 6243-6257
1680-7316
1680-7324
CONICET Digital
CONICET
url http://hdl.handle.net/11336/138541
identifier_str_mv Zabalegui, Nicolás; Manzi, Malena; Depoorter, Antoine; Hayeck, Nathalie; Roveretto, Marie; et al.; Seawater analysis by ambient mass-spectrometry-based seaomics; Copernicus Publications; Atmospheric Chemistry and Physics; 20; 10; 5-2020; 6243-6257
1680-7316
1680-7324
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://acp.copernicus.org/articles/20/6243/2020/
info:eu-repo/semantics/altIdentifier/doi/10.5194/acp-20-6243-2020
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Copernicus Publications
publisher.none.fl_str_mv Copernicus Publications
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.070432

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