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Orbitrap molecular fingerprint of dissolved organic matter in natural waters and its relationship with NDMA formation potential
Univ Girona, Catalan Inst Water Res, ICRA, H2O Bldg,Sci & Technol Pk, Girona 17003, Spain.
Univ Girona, Catalan Inst Water Res, ICRA, H2O Bldg,Sci & Technol Pk, Girona 17003, Spain.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Analytical Chemistry.
Univ Girona, Catalan Inst Water Res, ICRA, H2O Bldg,Sci & Technol Pk, Girona 17003, Spain;Catalan Inst Res & Adv Studies, ICREA, Barcelona 08010, Spain.
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2019 (English)In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 670, p. 1019-1027Article in journal (Refereed) Published
Abstract [en]

N-nitrosodimethylamine (NDMA) is a disinfection byproduct that has been classified as probable human carcinogen by the US Environmental Protection Agency. According to the published literature, natural dissolved organic matter (DOM) can be a source of NDMA precursors in drinking water. New advances in chemical characterization of DOM with high resolution mass spectrometry (HRMS) are allowing researchers to understand these ultra-complex mixtures. The objective of this study is to investigate analytical methodologies based on HRMS to explore NDMA formation from natural waters. To this aim, different waters from drinking water reservoirs in Spain containing NDMA precursors (quantified by means of NDMA formation potential) in concentrations between 17 and 60 ng/L have been studied. The workflow includes DOM solid-phase extraction and Orbitrap analysis with and without chromatographic separation. Here, we show that the molecular composition of DOM across the studied drinking water reservoirs is correlated with the NDMA formation potential. In particular, we found that NDMA formation potential is associated with compounds with high hydrogen saturation (H/C >= 1.5), corresponding also to reservoirs with higher background nutrient concentrations and wastewater indicators. Further chromatographic fractionation did not allow better definition of these possible precursors as they were present in different fractions of the chromatogram, suggesting that they were isomerically complex. 

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 2019. Vol. 670, p. 1019-1027
Keywords [en]
Van Krevelen, Non-target analysis, NDMA precursors, Organic matter, Orbitrap
National Category
Analytical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-382806DOI: 10.1016/j.scitotenv.2019.03.280ISI: 000464681800100PubMedID: 31018417OAI: oai:DiVA.org:uu-382806DiVA, id: diva2:1314177
Available from: 2019-05-07 Created: 2019-05-07 Last updated: 2019-05-07Bibliographically approved

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