RT Journal Article
T1 Screening for Polar Chemicals in Water by Trifunctional Mixed-Mode Liquid Chromatography–High Resolution Mass Spectrometry
A1 Montes Goyanes, Rosa
A1 Aguirre, Josu
A1 Vidal, Xandro
A1 Cela Torrijos, Rafael
A1 Quintana Álvarez, José Benito
A1 Rodil Rodríguez, María del Rosario
K1 Chromatography
K1 Environmental pollution
K1 Mathematical methods
K1 Organic compounds
K1 Pharmaceuticals
AB The presence of persistent and mobile organic contaminants (PMOC) in aquatic environments is a matter of high concern due to their capability of crossing through natural and anthropogenic barriers, even reaching drinking water. Most analytical methods rely on reversed-phase liquid chromatography (RPLC), which is quite limited for the detection of very polar chemicals. Thus, many of these PMOCs may have not been recognized as water pollutants yet, due to the lack of analytical methods capable to detect them. Mixed-mode LC (MMLC), providing the combination of RP and ion-exchange functionalities is explored in this work with a trifunctional column, combining RPLC, anion and cation exchange, which allows the simultaneous determination of analytes with extremely different properties. A nondiscriminant sample concentration step followed by a MMLC-high resolution mass spectrometry method was developed for a group of 37 very polar model chemicals with different acid/base functionalities. The overall method performance was satisfactory with a mean limit of detection of 50 ng/L, relative standard deviation lower than 20% and overall recoveries (including matrix effects) higher than 60% for 54% of model compounds. Then, the method was applied to 15 real water samples, by a suspect screening approach. For those detected PMOC with standard available, a preliminary estimation of concentrations was also performed. Thus, 22 compounds were unequivocally identified in a range of expected concentrations from 6 ng/L to 540 μg/L. Some of them are well-known PMOC, such as acesulfame, perfluorobutanoic acid or metformin, but other novel pollutants were also identified, as for example di-o-tolylguanidine or trifluoromethanesulfonic acid, which had not or were scarcely studied in water so far.
PB American Chemical Society ACS
YR 2017
FD 2017-05-01
LK http://hdl.handle.net/10347/32006
UL http://hdl.handle.net/10347/32006
LA eng
NO Rosa Montes, Josu Aguirre, Xandro Vidal, Rosario Rodil, Rafael Cela, and José Benito Quintana Environmental Science & Technology 2017 51 (11), 6250-6259
NO This is the postprint (accepted manuscript) version of the article published in Environmental Science and Technology https://doi.org/10.1021/acs.est.6b05135
NO This work was financed by MINECO−Spanish Ministry of Economy and Competitiveness (project JPIW2013-117), in the frame of the collaborative international consortium (WATER-JPI2013-PROMOTE) of the Water Challenges for a Changing World Joint Programming Initiative (Water JPI) Pilot Call. Authors also acknowledge the support of Xunta de Galicia(GRC2013-020) and FEDER/ERDF.
DS Minerva
RD 8 jun 2026