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Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Analytical Chemistry. (Hawkes)ORCID iD: 0000-0002-9955-4948
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Analytical Chemistry. Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Medicinal Chemistry, Drug Design and Discovery. (Hawkes)
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Medicinal Chemistry, Drug Design and Discovery.ORCID iD: 0000-0002-9500-4535
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - BMC, Analytical Chemistry. (Hawkes)ORCID iD: 0000-0003-0664-2242
2023 (English)In: Analytical Chemistry, ISSN 0003-2700, E-ISSN 1520-6882, Vol. 95, no 16, p. 6559-6567Article in journal (Refereed) Published
Abstract [en]

Recent methodological advances have greatly increased our ability to characterize aquatic dissolved organic matter (DOM) using high-resolution instrumentation, including nuclear magnetic resonance (NMR) and mass spectrometry (HRMS). Reliable DOM reference materials are required for further method development and data set alignment but do not currently exist for the marine environment. This presents a major limitation for marine biogeochemistry and related fields, including natural product discovery. To fill this resource gap, we have prepared a coastal marine DOM reference material (TRM-0522) from 45 m deep seawater obtained ∼1 km offshore of Sweden’s west coast. Over 3000 molecular formulas were assigned by direct infusion HRMS, confirming sample diversity, and the distribution of formulas in van Krevelen space was typical for a marine sample, with the majority of formulas in the region H/C 1–1.5 and O/C 0.3–0.7. The extracted DOM pool was more nitrogen (N)- and sulfur (S)-rich than a typical terrestrial reference material (SRFA). MZmine3 processing of ultrahigh-performance liquid chromatography (UPLC)-HRMS/MS data revealed 494 resolvable features (233 in negative mode; 261 in positive mode) over a wide range of retention times and masses. NMR data indicated low contributions from aromatic protons and, generally speaking, low lignin, humic, and fulvic substances associated with terrestrial samples. Instead, carboxylic-rich aliphatic molecules were the most abundant components, followed by carbohydrates and aliphatic functionalities. This is consistent with a very low specific UV absorbance SUVA254 value of 1.52 L mg C–1 m–1. When combined with comparisons with existing terrestrial reference materials (Suwannee River fulvic acid and Pony Lake fulvic acid), these results suggest that TRM-0522 is a useful and otherwise unavailable reference material for use in marine DOM biogeochemistry.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2023. Vol. 95, no 16, p. 6559-6567
National Category
Analytical Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-509049DOI: 10.1021/acs.analchem.2c05304ISI: 000972241600001PubMedID: 37052954OAI: oai:DiVA.org:uu-509049DiVA, id: diva2:1787711
Funder
Swedish Research Council Formas, 2021-00543Carl Tryggers foundation , CTS20:170Available from: 2023-08-14 Created: 2023-08-14 Last updated: 2023-10-05Bibliographically approved

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Felgate, StaceyCraig, Alexander J.Moodie, Lindon W. K.Hawkes, Jeffrey A.

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