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Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)

[Image: see text] 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...

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Autores principales: Felgate, Stacey L., Craig, Alexander J., Moodie, Lindon W. K., Hawkes, Jeffrey
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10134136/
https://www.ncbi.nlm.nih.gov/pubmed/37052954
http://dx.doi.org/10.1021/acs.analchem.2c05304
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author Felgate, Stacey L.
Craig, Alexander J.
Moodie, Lindon W. K.
Hawkes, Jeffrey
author_facet Felgate, Stacey L.
Craig, Alexander J.
Moodie, Lindon W. K.
Hawkes, Jeffrey
author_sort Felgate, Stacey L.
collection PubMed
description [Image: see text] 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 SUVA(254) 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.
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spelling pubmed-101341362023-04-28 Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522) Felgate, Stacey L. Craig, Alexander J. Moodie, Lindon W. K. Hawkes, Jeffrey Anal Chem [Image: see text] 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 SUVA(254) 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. American Chemical Society 2023-04-13 /pmc/articles/PMC10134136/ /pubmed/37052954 http://dx.doi.org/10.1021/acs.analchem.2c05304 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Felgate, Stacey L.
Craig, Alexander J.
Moodie, Lindon W. K.
Hawkes, Jeffrey
Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)
title Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)
title_full Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)
title_fullStr Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)
title_full_unstemmed Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)
title_short Characterization of a Newly Available Coastal Marine Dissolved Organic Matter Reference Material (TRM-0522)
title_sort characterization of a newly available coastal marine dissolved organic matter reference material (trm-0522)
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10134136/
https://www.ncbi.nlm.nih.gov/pubmed/37052954
http://dx.doi.org/10.1021/acs.analchem.2c05304
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