Advanced Molecular Techniques Provide New Rigorous Tools for Characterizing Organic Matter Quality in Complex Systems
Abstract
We report that carbon flux rates are widely understood to be substrate controlled; however, characterizing substrate quality continues to be a challenge. We suggest that, while optical measurements have their place, they are not the only, or the best, tool for characterizing organic matter quality. Nominal oxidation state of the carbon provides a thermodynamically relevant measure, which could be used as a metric of organic matter quality. Lastly, calculating nominal oxidation state of the carbon requires a suite of advanced complementary analysis but is then trivial to calculate from the resulting data sets.
- Authors:
-
[1];
[2]
- Florida State Univ., Tallahassee, FL (United States)
- Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
- Publication Date:
- Research Org.:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Biological and Environmental Research (BER)
- OSTI Identifier:
- 1490394
- Alternate Identifier(s):
- OSTI ID: 1454626
- Report Number(s):
- PNNL-SA-138120
Journal ID: ISSN 2169-8953
- Grant/Contract Number:
- AC05-76RL01830; SC0010580; SC0012088
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Geophysical Research. Biogeosciences
- Additional Journal Information:
- Journal Volume: 123; Journal Issue: 6; Journal ID: ISSN 2169-8953
- Publisher:
- American Geophysical Union
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 54 ENVIRONMENTAL SCIENCES
Citation Formats
Wilson, Rachel M., and Tfaily, Malak M. Advanced Molecular Techniques Provide New Rigorous Tools for Characterizing Organic Matter Quality in Complex Systems. United States: N. p., 2018.
Web. doi:10.1029/2018JG004525.
Wilson, Rachel M., & Tfaily, Malak M. Advanced Molecular Techniques Provide New Rigorous Tools for Characterizing Organic Matter Quality in Complex Systems. United States. https://doi.org/10.1029/2018JG004525
Wilson, Rachel M., and Tfaily, Malak M. Wed .
"Advanced Molecular Techniques Provide New Rigorous Tools for Characterizing Organic Matter Quality in Complex Systems". United States. https://doi.org/10.1029/2018JG004525. https://www.osti.gov/servlets/purl/1490394.
@article{osti_1490394,
title = {Advanced Molecular Techniques Provide New Rigorous Tools for Characterizing Organic Matter Quality in Complex Systems},
author = {Wilson, Rachel M. and Tfaily, Malak M.},
abstractNote = {We report that carbon flux rates are widely understood to be substrate controlled; however, characterizing substrate quality continues to be a challenge. We suggest that, while optical measurements have their place, they are not the only, or the best, tool for characterizing organic matter quality. Nominal oxidation state of the carbon provides a thermodynamically relevant measure, which could be used as a metric of organic matter quality. Lastly, calculating nominal oxidation state of the carbon requires a suite of advanced complementary analysis but is then trivial to calculate from the resulting data sets.},
doi = {10.1029/2018JG004525},
journal = {Journal of Geophysical Research. Biogeosciences},
number = 6,
volume = 123,
place = {United States},
year = {Wed May 30 00:00:00 EDT 2018},
month = {Wed May 30 00:00:00 EDT 2018}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Cited by: 23 works
Citation information provided by
Web of Science
Web of Science
Figures / Tables:
Figure 1: Regressions of average molecular weight (M.W.) based on FTICRMS (left panel) versus the optical proxy spectral slope and double bond equivalences (DBE minus O; right panel) versus the optical proxy SUVA254 for pore water samples collected from a Sphagnum-dominated bog and Carex-dominated fen site in Stordalen mire, Sweden,more »
All figures and tables
(2 total)
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
In silico fragmentation for computer assisted identification of metabolite mass spectra
journal, March 2010
- Wolf, Sebastian; Schmidt, Stephan; Müller-Hannemann, Matthias
- BMC Bioinformatics, Vol. 11, Issue 1
Spectrofluorometric characterization of dissolved organic matter for indication of precursor organic material and aromaticity
journal, January 2001
- McKnight, Diane M.; Boyer, Elizabeth W.; Westerhoff, Paul K.
- Limnology and Oceanography, Vol. 46, Issue 1
MassBank: a public repository for sharing mass spectral data for life sciences
journal, July 2010
- Horai, Hisayuki; Arita, Masanori; Kanaya, Shigehiko
- Journal of Mass Spectrometry, Vol. 45, Issue 7
Advanced Solvent Based Methods for Molecular Characterization of Soil Organic Matter by High-Resolution Mass Spectrometry
journal, April 2015
- Tfaily, Malak M.; Chu, Rosalie K.; Tolić, Nikola
- Analytical Chemistry, Vol. 87, Issue 10
Radiocarbon evidence for the importance of surface vegetation on fermentation and methanogenesis in contrasting types of boreal peatlands: IMPORTANCE OF SURFACE VEGETATION
journal, December 2008
- Chanton, J. P.; Glaser, P. H.; Chasar, L. S.
- Global Biogeochemical Cycles, Vol. 22, Issue 4
High-frequency in situ optical measurements during a storm event: Assessing relationships between dissolved organic matter, sediment concentrations, and hydrologic processes
journal, January 2009
- Saraceno, John Franco; Pellerin, Brian A.; Downing, Bryan D.
- Journal of Geophysical Research, Vol. 114
The Chemical Nature of Humic acid
journal, January 1971
- Haworth, R. D.
- Soil Science, Vol. 111, Issue 1
Exact Masses and Chemical Formulas of Individual Suwannee River Fulvic Acids from Ultrahigh Resolution Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectra
journal, March 2003
- Stenson, Alexandra C.; Marshall, Alan G.; Cooper, William T.
- Analytical Chemistry, Vol. 75, Issue 6
Radiocarbon and stable carbon isotopic evidence for transport and transformation of dissolved organic carbon, dissolved inorganic carbon, and CH 4 in a northern Minnesota peatland
journal, December 2000
- Chasar, L. S.; Chanton, J. P.; Glaser, P. H.
- Global Biogeochemical Cycles, Vol. 14, Issue 4
The contentious nature of soil organic matter
journal, November 2015
- Lehmann, Johannes; Kleber, Markus
- Nature, Vol. 528, Issue 7580
Graphical Method for Analysis of Ultrahigh-Resolution Broadband Mass Spectra of Natural Organic Matter, the Van Krevelen Diagram
journal, October 2003
- Kim, Sunghwan; Kramer, Robert W.; Hatcher, Patrick G.
- Analytical Chemistry, Vol. 75, Issue 20
Stability of peatland carbon to rising temperatures
journal, December 2016
- Wilson, R. M.; Hopple, A. M.; Tfaily, M. M.
- Nature Communications, Vol. 7, Article No. 13723
Anaerobic Methane Oxidation Driven by Microbial Reduction of Natural Organic Matter in a Tropical Wetland
journal, March 2017
- Valenzuela, Edgardo I.; Prieto-Davó, Alejandra; López-Lozano, Nguyen E.
- Applied and Environmental Microbiology, Vol. 83, Issue 11
Using in-situ optical sensors to study dissolved organic carbon dynamics of streams and watersheds: A review
journal, January 2017
- Ruhala, Sydney S.; Zarnetske, Jay P.
- Science of The Total Environment, Vol. 575
Sequential extraction protocol for organic matter from soils and sediments using high resolution mass spectrometry
journal, June 2017
- Tfaily, Malak M.; Chu, Rosalie K.; Toyoda, Jason
- Analytica Chimica Acta, Vol. 972
METLIN: A Technology Platform for Identifying Knowns and Unknowns
journal, January 2018
- Guijas, Carlos; Montenegro-Burke, J. Rafael; Domingo-Almenara, Xavier
- Analytical Chemistry, Vol. 90, Issue 5
Humic Substances in Soils: Are They Really Chemically Distinct?
journal, August 2006
- Kelleher, Brian. P.; Simpson, Andre. J.
- Environmental Science & Technology, Vol. 40, Issue 15
Seasonal variability of organic matter composition in an Alaskan glacier outflow: insights into glacier carbon sources
journal, May 2014
- Spencer, Robert G. M.; Vermilyea, Andrew; Fellman, Jason
- Environmental Research Letters, Vol. 9, Issue 5
Investigating dissolved organic matter decomposition in northern peatlands using complimentary analytical techniques
journal, July 2013
- Tfaily, Malak M.; Hamdan, Rasha; Corbett, Jane E.
- Geochimica et Cosmochimica Acta, Vol. 112
Mining mass spectrometry data: Using new computational tools to find novel organic compounds in complex environmental mixtures
journal, August 2017
- Longnecker, Krista; Kujawinski, Elizabeth B.
- Organic Geochemistry, Vol. 110
The carbon balance of North American wetlands
journal, December 2006
- Bridgham, Scott D.; Megonigal, J. Patrick; Keller, Jason K.
- Wetlands, Vol. 26, Issue 4
Characterization of marine and terrestrial DOM in seawater using excitation-emission matrix spectroscopy
journal, January 1996
- Coble, Paula G.
- Marine Chemistry, Vol. 51, Issue 4
Absorption spectral slopes and slope ratios as indicators of molecular weight, source, and photobleaching of chromophoric dissolved organic matter
journal, May 2008
- Helms, John R.; Stubbins, Aron; Ritchie, Jason D.
- Limnology and Oceanography, Vol. 53, Issue 3
Molecular Structure in Soil Humic Substances: The New View
journal, December 2005
- Sutton, Rebecca; Sposito, Garrison
- Environmental Science & Technology, Vol. 39, Issue 23
Are oxygen limitations under recognized regulators of organic carbon turnover in upland soils?
journal, January 2016
- Keiluweit, Marco; Nico, Peter S.; Kleber, Markus
- Biogeochemistry, Vol. 127, Issue 2-3
Molecular-level characterization of reactive and refractory dissolved natural organic nitrogen compounds by atmospheric pressure photoionization coupled to Fourier transform ion cyclotron resonance mass spectrometry: Characterization of natural organic nitrogen by APPI FTICRMS
journal, March 2013
- Osborne, Daniel M.; Podgorski, David C.; Bronk, Deborah A.
- Rapid Communications in Mass Spectrometry, Vol. 27, Issue 8
Changes in dissolved organic matter quality in a peatland and forest headwater stream as a function of seasonality and hydrologic conditions
journal, January 2017
- Broder, Tanja; Knorr, Klaus-Holger; Biester, Harald
- Hydrology and Earth System Sciences, Vol. 21, Issue 4
Phosphorus availability regulates intracellular nucleotides in marine eukaryotic phytoplankton: Phosphorus availability regulates intracellular nucleotides
journal, June 2017
- Kujawinski, Elizabeth B.; Longnecker, Krista; Alexander, Harriet
- Limnology and Oceanography Letters, Vol. 2, Issue 4
On the Nature of Lignin 1
journal, June 1936
- Waksman, Selman A.; Cordon, T. C.
- Journal of the American Chemical Society, Vol. 58, Issue 6
Evaluation of Specific Ultraviolet Absorbance as an Indicator of the Chemical Composition and Reactivity of Dissolved Organic Carbon
journal, October 2003
- Weishaar, James L.; Aiken, George R.; Bergamaschi, Brian A.
- Environmental Science & Technology, Vol. 37, Issue 20
Quality and reactivity of dissolved organic matter in a Mediterranean river across hydrological and spatial gradients
journal, December 2017
- Ejarque, Elisabet; Freixa, Anna; Vazquez, Eusebi
- Science of The Total Environment, Vol. 599-600
Persistence of soil organic matter as an ecosystem property
journal, October 2011
- Schmidt, Michael W. I.; Torn, Margaret S.; Abiven, Samuel
- Nature, Vol. 478, Issue 7367
Ionization and Fragmentation of Humic Substances in Electrospray Ionization Fourier Transform-Ion Cyclotron Resonance Mass Spectrometry
journal, September 2002
- Stenson, Alexandra C.; Landing, William M.; Marshall, Alan G.
- Analytical Chemistry, Vol. 74, Issue 17
Multimodal MSI in Conjunction with Broad Coverage Spatially Resolved MS 2 Increases Confidence in Both Molecular Identification and Localization
journal, December 2017
- Veličković, Dušan; Chu, Rosalie K.; Carrell, Alyssa A.
- Analytical Chemistry, Vol. 90, Issue 1
Hydrogenation of organic matter as a terminal electron sink sustains high CO2:CH4 production ratios during anaerobic decomposition
journal, October 2017
- Wilson, Rachel M.; Tfaily, Malak M.; Rich, Virginia I.
- Organic Geochemistry, Vol. 112
Degradation of natural organic matter: A thermodynamic analysis
journal, April 2011
- LaRowe, Douglas E.; Van Cappellen, Philippe
- Geochimica et Cosmochimica Acta, Vol. 75, Issue 8
Radiocarbon evidence for the substrates supporting methane formation within northern Minnesota peatlands
journal, September 1995
- Chanton, Jeffrey P.; Bauer, James E.; Glaser, Paul A.
- Geochimica et Cosmochimica Acta, Vol. 59, Issue 17
Seasonal Dynamics of Dissolved Methane in Lakes of the Mackenzie Delta and the Role of Carbon Substrate Quality
journal, February 2018
- Cunada, C. L.; Lesack, L. F. W.; Tank, S. E.
- Journal of Geophysical Research: Biogeosciences, Vol. 123, Issue 2
Quantifying fluxes and characterizing compositional changes of dissolved organic matter in aquatic systems in situ using combined acoustic and optical measurements: In situ measurements for DOC fluxes and characterization
journal, January 2009
- Downing, Bryan D.; Boss, Emmanuel; Bergamaschi, Brian A.
- Limnology and Oceanography: Methods, Vol. 7, Issue 1
Long-term trends and synchrony in dissolved organic matter characteristics in Wisconsin, USA, lakes: Quality, not quantity, is highly sensitive to climate: TRENDS IN DOM CHARACTERISTICS
journal, March 2017
- Jane, Stephen F.; Winslow, Luke A.; Remucal, Christina K.
- Journal of Geophysical Research: Biogeosciences, Vol. 122, Issue 3
The carbon versus mass diagram to visualize and exploit FTICR-MS data of natural organic matter
journal, January 2010
- Reemtsma, Thorsten
- Journal of Mass Spectrometry
Data-Constrained Projections of Methane Fluxes in a Northern Minnesota Peatland in Response to Elevated CO 2 and Warming : Data-Constrained Forecast of CH
journal, November 2017
- Ma, Shuang; Jiang, Jiang; Huang, Yuanyuan
- Journal of Geophysical Research: Biogeosciences, Vol. 122, Issue 11
Organic matter transformation in the peat column at Marcell Experimental Forest: Humification and vertical stratification: Organic matter dynamics
journal, April 2014
- Tfaily, Malak M.; Cooper, William T.; Kostka, Joel E.
- Journal of Geophysical Research: Biogeosciences, Vol. 119, Issue 4
Works referencing / citing this record:
Examination of molecular space and feasible structures of bioactive components of humic substances by FTICR MS data mining in ChEMBL database
journal, August 2019
- Orlov, Alexey A.; Zherebker, Alexander; Eletskaya, Anastasia A.
- Scientific Reports, Vol. 9, Issue 1
Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.