Comparing molecular composition of dissolved organic matter in soil and stream water: Influence of land use and chemical characteristics

Seifert, Anne-Gret; Roth, Vanessa-Nina; Dittmar, Thorsten; Gleixner, Gerd; Breuer, Lutz; Houska, Tobias; Marxsen, Jürgen

doi:10.1016/j.scitotenv.2016.07.033

Cited by 83 publications

(49 citation statements)

References 60 publications

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“…Besides soil properties, fertilization is altering the pedogenic DOM composition by influencing the abundance as well as the activity of soil microorganisms. Especially nitrate is promoting microbial decomposition of DOM, which is indicated by positive correlations between nitrate content and aromaticity of the water extractable organic matter (WEOM) found in soils (Seifert et al, 2016). Furthermore, Fang et al (2014) observed an increase in aromaticity and molecular complexity of WEOM caused by mineral fertilization of an alpine meadow, while organic fertilization experiments conducted on forest soils did not affect WEOM compositions, according to a study by Ohno and Bro (2006).…”

Section: Introductionmentioning

confidence: 92%

Short-term effects of fertilization on dissolved organic matter (DOM) in soil leachate

Tiefenbacher

Weigelhofer

Klik

et al. 2020

Preprint

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Abstract. Besides the importance of dissolved organic matter (DOM) in soil biogeochemical processes, there is still a debate on how agricultural intensification affects the composition and concentration of dissolved organic matter leached from soils into adjacent aquatic ecosystems. In order to investigate the immediate response of DOM leaching to fertilization, we conducted a short-term (45 day) lysimeter experiment with undisturbed silt loam and loamy sand soil cores. Mineral (calcium ammonium nitrate) or organic (pig slurry) fertilizer was applied on the soil surface with a concentration equivalent to 130 kg N ha−1. After fertilization, soil leachate was collected in 6-days intervals. Dissolved organic carbon concentrations (DOC) were measured with gas chromatography, while shifts in DOM composition were analysed using absorbance and excitation- emission fluorescence indices from peak-picking as well as from PARAFAC analysis. During the first 12 days, fertilization of a silt loam reduced DOC concentrations in the leachate and shifted its composition towards more microbial- like compounds. Additionally, the discrepancy in DOM composition between fertilizer and control treatments of a silt loam increased with time. However, in loamy sand only mineral fertilization affected organic matter leaching and decreased DOC concentrations in the leachate during the first 12 days. Furthermore, mineral fertilization of the loamy sand led to DOM compounds with low molecular size in the first 12 days. Our results show that fertilization tends to increase microbial transformed DOM, while it reduces leached DOC concentrations. Furthermore, the magnitude of fertilization on DOC concentrations and DOM composition was highly depending on the soil texture they originate from. However, in our set-up, the experimental soil units were restricted to a soil depth of 16 cm (Ap horizon). At ecosystem level, a sufficiently long soil passage might mitigate the impact of fertilization on soil DOM.

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Section: Introductionmentioning

confidence: 92%

Short-term effects of fertilization on dissolved organic matter (DOM) in soil leachate

Tiefenbacher

Weigelhofer

Klik

et al. 2020

Preprint

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“…Ultrahigh resolution mass spectrometry like Fourier-transform mass spectrometry (FTMS) coupled to soft ionization techniques as electrospray ionization (ESI, ESI-FTMS) uniquely enables, for example, the identification of thousands of intact (non-fragmented) individual molecular formulae from complex mixtures like DOM (Hertkorn et al, 2008). The observed structural heterogeneity in terms of molecular formulae, which is larger in terrestrial DOM than in marine DOM, encodes source materials, transforming processes and their controling environmental and biological factors (Kellerman et al, 2014;Marín-Spiotta et al, 2014;Roth et al, 2014;Seifert et al, 2016;Bailey et al, 2017;Ward et al, 2017;Zark and Dittmar, 2018). Unfortunately, the advances in our understanding of the molecular DOM "code" are small as the access to ultrahigh resolution mass spectrometry is limited.…”

Section: Introductionmentioning

confidence: 99%

Molecular Signals of Heterogeneous Terrestrial Environments Identified in Dissolved Organic Matter: A Comparative Analysis of Orbitrap and Ion Cyclotron Resonance Mass Spectrometers

et al. 2018

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Terrestrial dissolved organic matter (DOM) interlinks large carbon reservoirs of soils, sediments, and marine environments but remains largely uncharacterized on the molecular level. Fourier transform mass spectrometry (FTMS) has proven to be a powerful technique to reveal DOM chemodiversity and potential information encrypted therein. State-of-the-art FT-ICR MS (ion cyclotron resonance) instruments are yet inaccessible for most researchers. To evaluate the performance of the most recent Orbitrap analyzer as a more accessible alternative, we compared our method to an established 15 T FT-ICR MS on a diverse suite of 17 mainly terrestrial DOM samples regarding (1) ion abundance patterns, (2) differential effects of DOM type on information loss, and (3) derived biogeochemical information. We show that the Orbitrap provides similar information as FT-ICR MS, especially for compound masses below 400 m/z, and is mainly limited by its actual resolving power rather than its sensitivity. Ecosystems that are dominated by inputs of plant-derived material, like DOM from soil, bog, lake, and rivers, showed remarkably low average mass to charge ratios, making them also suitable for Orbitrap measurements. The additional information gained from FT-ICR MS was highest in heteroatom-rich (N, S, P) samples from systems dominated by internal cycling, like DOM from groundwater and the deep sea. Here FT-ICR MS detected 37% more molecular formulae and 11% higher ion abundance. However, the overall information content, which was analyzed by multivariate statistical methods, was comparable for both data sets. Mass spectra-derived biogeochemical trends, for example, the decrease of DOM aromaticity during the passage through terrestrial environments, were retrieved by both instruments. We demonstrate the growing potential of the Orbitrap as an alternative FTMS analyzer in the context of challenging analyses of DOM complexity, origin, and fate.

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“…In the catchment, the mean annual precipitation is 588 mm, and the mean annual temperature is 10.5 • C for the hydrological year 1 November 2013-31 October 2014 (Seifert et al, 2016) The weekly trace gas measurements began in November 2013 and range so far until December 2015. GHG exchange fluxes were measured manually with non-steady-state opaque chambers, each covering a basal area of 0.12 m 2 .…”

Section: Study Areamentioning

confidence: 99%

Constraining a complex biogeochemical model for CO<sub>2</sub> and N<sub>2</sub>O emission simulations from various land uses by model–data fusion

2017

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Abstract. This study presents the results of a combined measurement and modelling strategy to analyse N 2 O and CO 2 emissions from adjacent arable land, forest and grassland sites in Hesse, Germany. The measured emissions reveal seasonal patterns and management effects, including fertilizer application, tillage, harvest and grazing. The measured annual N 2 O fluxes are 4.5, 0.4 and 0.1 kg N ha −1 a −1 , and the CO 2 fluxes are 20.0, 12.2 and 3.0 t C ha −1 a −1 for the arable land, grassland and forest sites, respectively. An innovative model-data fusion concept based on a multicriteria evaluation (soil moisture at different depths, yield, CO 2 and N 2 O emissions) is used to rigorously test the LandscapeDNDC biogeochemical model. The model is run in a Latin-hypercube-based uncertainty analysis framework to constrain model parameter uncertainty and derive behavioural model runs. The results indicate that the model is generally capable of predicting trace gas emissions, as evaluated with RMSE as the objective function. The model shows a reasonable performance in simulating the ecosystem C and N balances. The model-data fusion concept helps to detect remaining model errors, such as missing (e.g. freeze-thaw cycling) or incomplete model processes (e.g. respiration rates after harvest). This concept further elucidates the identification of missing model input sources (e.g. the uptake of N through shallow groundwater on grassland during the vegetation period) and uncertainty in the measured validation data (e.g. forest N 2 O emissions in winter months). Guidance is provided to improve the model structure and field measurements to further advance landscape-scale model predictions.

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Comparing molecular composition of dissolved organic matter in soil and stream water: Influence of land use and chemical characteristics

Cited by 83 publications

References 60 publications

Short-term effects of fertilization on dissolved organic matter (DOM) in soil leachate

Short-term effects of fertilization on dissolved organic matter (DOM) in soil leachate

Molecular Signals of Heterogeneous Terrestrial Environments Identified in Dissolved Organic Matter: A Comparative Analysis of Orbitrap and Ion Cyclotron Resonance Mass Spectrometers

Constraining a complex biogeochemical model for CO<sub>2</sub> and N<sub>2</sub>O emission simulations from various land uses by model–data fusion

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Comparing molecular composition of dissolved organic matter in soil and stream water: Influence of land use and chemical characteristics

Cited by 83 publications

References 60 publications

Short-term effects of fertilization on dissolved organic matter (DOM) in soil leachate

Short-term effects of fertilization on dissolved organic matter (DOM) in soil leachate

Molecular Signals of Heterogeneous Terrestrial Environments Identified in Dissolved Organic Matter: A Comparative Analysis of Orbitrap and Ion Cyclotron Resonance Mass Spectrometers

Constraining a complex biogeochemical model for CO&lt;sub&gt;2&lt;/sub&gt; and N&lt;sub&gt;2&lt;/sub&gt;O emission simulations from various land uses by model–data fusion

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Constraining a complex biogeochemical model for CO<sub>2</sub> and N<sub>2</sub>O emission simulations from various land uses by model–data fusion