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What’s in an EEM? : molecular signatures associated with dissolved organic fluorescence in boreal Canada

Stubbins, Aron; Lapierre, Jean-François; Berggren, Martin LU ; Prairie, Yves T.; Dittmar, Thorsten and del Giorgio, Paul A. (2014) In Environmental Science & Technology 48(18). p.10598-10606
Abstract
Dissolved organic matter (DOM) is a master variable in aquatic systems. Modern fluorescence techniques couple measurements of excitation emission matrix (EEM) spectra and parallel factor analysis (PARAFAC) to determine fluorescent DOM (FDOM) components and DOM quality. However, the molecular signatures associated with PARAFAC components are poorly defined. In the current study we characterized river water samples from boreal Québec, Canada, using EEM/PARAFAC analysis and ultrahigh resolution mass spectrometry (FTICR-MS). Spearman’s correlation of FTICR-MS peak and PARAFAC component relative intensities determined the molecular families associated with 6 PARAFAC components. Molecular families associated with PARAFAC components numbered from... (More)
Dissolved organic matter (DOM) is a master variable in aquatic systems. Modern fluorescence techniques couple measurements of excitation emission matrix (EEM) spectra and parallel factor analysis (PARAFAC) to determine fluorescent DOM (FDOM) components and DOM quality. However, the molecular signatures associated with PARAFAC components are poorly defined. In the current study we characterized river water samples from boreal Québec, Canada, using EEM/PARAFAC analysis and ultrahigh resolution mass spectrometry (FTICR-MS). Spearman’s correlation of FTICR-MS peak and PARAFAC component relative intensities determined the molecular families associated with 6 PARAFAC components. Molecular families associated with PARAFAC components numbered from 39 to 572 FTICR-MS derived elemental formulas. Detailed molecular properties for each of the classical humic- and protein-like FDOM components are presented. FTICR-MS formulas assigned to PARAFAC components represented 39% of the total number of formulas identified and 59% of total FTICR-MS peak intensities, and included significant numbers compounds that are highly unlikely to fluoresce. Thus, fluorescence measurements offer insight into the biogeochemical cycling of a large proportion of the DOM pool, including a broad suite of unseen molecules that apparently follow the same gradients as FDOM in the environment. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Environmental Science & Technology
volume
48
issue
18
pages
10598 - 10606
publisher
The American Chemical Society
external identifiers
  • wos:000341801500010
  • scopus:84908526592
ISSN
1520-5851
DOI
10.1021/es502086e
project
BECC
language
English
LU publication?
yes
id
031b5dd8-3e16-4e9f-b1b0-1a3347e40c37 (old id 4648317)
date added to LUP
2014-10-02 17:11:03
date last changed
2017-11-19 03:16:47
@article{031b5dd8-3e16-4e9f-b1b0-1a3347e40c37,
  abstract     = {Dissolved organic matter (DOM) is a master variable in aquatic systems. Modern fluorescence techniques couple measurements of excitation emission matrix (EEM) spectra and parallel factor analysis (PARAFAC) to determine fluorescent DOM (FDOM) components and DOM quality. However, the molecular signatures associated with PARAFAC components are poorly defined. In the current study we characterized river water samples from boreal Québec, Canada, using EEM/PARAFAC analysis and ultrahigh resolution mass spectrometry (FTICR-MS). Spearman’s correlation of FTICR-MS peak and PARAFAC component relative intensities determined the molecular families associated with 6 PARAFAC components. Molecular families associated with PARAFAC components numbered from 39 to 572 FTICR-MS derived elemental formulas. Detailed molecular properties for each of the classical humic- and protein-like FDOM components are presented. FTICR-MS formulas assigned to PARAFAC components represented 39% of the total number of formulas identified and 59% of total FTICR-MS peak intensities, and included significant numbers compounds that are highly unlikely to fluoresce. Thus, fluorescence measurements offer insight into the biogeochemical cycling of a large proportion of the DOM pool, including a broad suite of unseen molecules that apparently follow the same gradients as FDOM in the environment.},
  author       = {Stubbins, Aron and Lapierre, Jean-François and Berggren, Martin and Prairie, Yves T. and Dittmar, Thorsten and del Giorgio, Paul A.},
  issn         = {1520-5851},
  language     = {eng},
  number       = {18},
  pages        = {10598--10606},
  publisher    = {The American Chemical Society},
  series       = {Environmental Science & Technology},
  title        = {What’s in an EEM? : molecular signatures associated with dissolved organic fluorescence in boreal Canada},
  url          = {http://dx.doi.org/10.1021/es502086e},
  volume       = {48},
  year         = {2014},
}