Seawater analysis by ambient mass-spectrometry-based seaomics

<p>An analytical method coupled to multivariate statistical analysis was developed based on transmission-mode 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....

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Main Authors: N. Zabalegui, M. Manzi, A. Depoorter, N. Hayeck, M. Roveretto, C. Li, M. van Pinxteren, H. Herrmann, C. George, M. E. Monge
Format: Article
Language:English
Published: Copernicus Publications 2020-05-01
Series:Atmospheric Chemistry and Physics
Online Access:https://www.atmos-chem-phys.net/20/6243/2020/acp-20-6243-2020.pdf
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author N. Zabalegui
N. Zabalegui
M. Manzi
M. Manzi
A. Depoorter
N. Hayeck
N. Hayeck
M. Roveretto
C. Li
C. Li
M. van Pinxteren
H. Herrmann
C. George
M. E. Monge
author_facet N. Zabalegui
N. Zabalegui
M. Manzi
M. Manzi
A. Depoorter
N. Hayeck
N. Hayeck
M. Roveretto
C. Li
C. Li
M. van Pinxteren
H. Herrmann
C. George
M. E. Monge
author_sort N. Zabalegui
collection DOAJ
description <p>An analytical method coupled to multivariate statistical analysis was developed based on transmission-mode 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 (<span class="inline-formula"><i>n</i>=22</span>, 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 (<span class="inline-formula"><i>n</i>=5</span>) were subjected to on-site experiments during the campaign by using a lab-to-field 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.</p>
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spelling doaj.art-fe0f41b0feb649dab55a94ac30d374582022-12-22T02:21:14ZengCopernicus PublicationsAtmospheric Chemistry and Physics1680-73161680-73242020-05-01206243625710.5194/acp-20-6243-2020Seawater analysis by ambient mass-spectrometry-based seaomicsN. Zabalegui0N. Zabalegui1M. Manzi2M. Manzi3A. Depoorter4N. Hayeck5N. Hayeck6M. Roveretto7C. Li8C. Li9M. van Pinxteren10H. Herrmann11C. George12M. E. Monge13Centro de Investigaciones en Bionanociencias (CIBION), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Godoy Cruz 2390, C1425FQD Ciudad Autónoma de Buenos Aires, ArgentinaDepartamento de Química Inorgánica, Analítica y Química Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, C1428EGA Buenos Aires, ArgentinaCentro de Investigaciones en Bionanociencias (CIBION), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Godoy Cruz 2390, C1425FQD Ciudad Autónoma de Buenos Aires, ArgentinaDepartamento de Química Biológica, Facultad de Farmacia y Bioquímica, Universidad de Buenos Aires, Junín 956, C1113AAD Buenos Aires, ArgentinaUniversité de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut de Recherches sur la Catalyse et l'Environnement de Lyon (IRCELYON), 69626 Villeurbanne, FranceUniversité de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut de Recherches sur la Catalyse et l'Environnement de Lyon (IRCELYON), 69626 Villeurbanne, Francenow at: Department of Chemistry, Faculty of Arts and Sciences, American University of Beirut, 1107 2020 Beirut, LebanonUniversité de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut de Recherches sur la Catalyse et l'Environnement de Lyon (IRCELYON), 69626 Villeurbanne, FranceUniversité de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut de Recherches sur la Catalyse et l'Environnement de Lyon (IRCELYON), 69626 Villeurbanne, Francenow at: Department of Earth and Planetary Sciences, Weizmann Institute of Science, 76100 Rehovot, IsraelLeibniz-Institut für Troposphärenforschung e.V. (TROPOS), Atmospheric Chemistry Department (ACD), Permoserstraße 15, 04318 Leipzig, GermanyLeibniz-Institut für Troposphärenforschung e.V. (TROPOS), Atmospheric Chemistry Department (ACD), Permoserstraße 15, 04318 Leipzig, GermanyUniversité de Lyon, Université Claude Bernard Lyon 1, CNRS, Institut de Recherches sur la Catalyse et l'Environnement de Lyon (IRCELYON), 69626 Villeurbanne, FranceCentro de Investigaciones en Bionanociencias (CIBION), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Godoy Cruz 2390, C1425FQD Ciudad Autónoma de Buenos Aires, Argentina<p>An analytical method coupled to multivariate statistical analysis was developed based on transmission-mode 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 (<span class="inline-formula"><i>n</i>=22</span>, 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 (<span class="inline-formula"><i>n</i>=5</span>) were subjected to on-site experiments during the campaign by using a lab-to-field 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.</p>https://www.atmos-chem-phys.net/20/6243/2020/acp-20-6243-2020.pdf
spellingShingle N. Zabalegui
N. Zabalegui
M. Manzi
M. Manzi
A. Depoorter
N. Hayeck
N. Hayeck
M. Roveretto
C. Li
C. Li
M. van Pinxteren
H. Herrmann
C. George
M. E. Monge
Seawater analysis by ambient mass-spectrometry-based seaomics
Atmospheric Chemistry and Physics
title 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_short Seawater analysis by ambient mass-spectrometry-based seaomics
title_sort seawater analysis by ambient mass spectrometry based seaomics
url https://www.atmos-chem-phys.net/20/6243/2020/acp-20-6243-2020.pdf
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