Data for Stetten et al. (2025), "Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)"

Stetten, Lucie; Boyanov, Maxim; O'Loughlin, Edward; Pushpajom Thomas, Shan; Bellsmith, Kathleen; Bittencourt Peixoto, Roberta; Machado-Silva, Fausto; Day, Donnie; Wilson, Stephanie; Vugteveen, Timothy; Myers-Pigg, Allison; Otenburg, Opal; Spanbauer, Trisha; Shevchenko, Elena; Weisenhorn, Pamela; Ward, Nicholas; Megonigal, J. Patrick; Weintraub, Michael; Bailey, Vanessa; Kemner, Kenneth

doi:10.15485/3003878

Title: Data for Stetten et al. (2025), "Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)"

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Abstract

Coastal environments are dynamic interfaces that mediate carbon and nutrient exchanges between terrestrial landscapes and open waters, but it is unclear how biogeochemical reactions, in particular iron (Fe) redox transformations, affect the understanding and prediction of coastal ecosystem functions. This dataset includes measurements from two freshwater sites in the Western and Central basins of Lake Erie (Ohio, United States) and two estuarine sites in the Chesapeake Bay (Maryland, United States); the analytical results were reported by Stetten et al. (2025) in Science of the Total Environment. It was produced as part of the COMPASS-FME project, which seeks to advance a scalable, predictive understanding of the fundamental biogeochemical processes, ecological structure, and ecosystem dynamics that distinguish coastal terrestrial-aquatic interfaces from the purely terrestrial or aquatic systems to which they are coupled. The sites were sampled in November 2022 (CRC), December 2022 (MSM), February 2023 (GCW), and March 2023 (OWC); site codes follow those used by Pennington et al. (2025).The dataset consists of the following soil data:- Solid data (Fe concentration, etc.)- Porewater data (sulfate, sulfide, etc.)- Linear combination fitting results of X-ray absorption near edge structure (XANES) spectra; i.e., quantitative results of the oxidation state of Fe, indicated as a proportionmore »« less

Authors:

;

; Pushpajom Thomas, Shan;

;

; Vugteveen, Timothy;

;

; Shevchenko, Elena;

;

University of Manchester
Argonne National Laboratory
University of Toledo
Smithsonian Environmental Research Center
Pacific Northwest National Laboratory (PNNL)

Publication Date:: Tue Dec 31 23:00:00 EST 2024

DOE Contract Number:: AC02-05CH11231

Research Org.:: COMPASS-FME

Sponsoring Org.:: U.S. DOE > Office of Science > Biological and Environmental Research (BER)

Subject:: 54 ENVIRONMENTAL SCIENCES; EARTH SCIENCE > LAND SURFACE > SOILS; EARTH SCIENCE > LAND SURFACE > SOILS > SOIL CHEMISTRY; EARTH SCIENCE > OCEANS > COASTAL PROCESSES; EARTH SCIENCE > SOLID EARTH > GEOCHEMISTRY; EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > GROUND WATER > GROUNDWATER CHEMISTRY; EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > WATER QUALITY/WATER CHEMISTRY; ESS-DIVE CSV File Formatting Guidelines Reporting Format; ESS-DIVE File Level Metadata Reporting Format

OSTI Identifier:: 3003878

DOI:: https://doi.org/10.15485/3003878

Citation Formats


                    Stetten, Lucie, Boyanov, Maxim, O'Loughlin, Edward, Pushpajom Thomas, Shan, Bellsmith, Kathleen, Bittencourt Peixoto, Roberta, Machado-Silva, Fausto, Day, Donnie, Wilson, Stephanie, Vugteveen, Timothy, Myers-Pigg, Allison, Otenburg, Opal, Spanbauer, Trisha, Shevchenko, Elena, Weisenhorn, Pamela, Ward, Nicholas, Megonigal, J. Patrick, Weintraub, Michael, Bailey, Vanessa, and Kemner, Kenneth. Data for Stetten et al. (2025), "Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)".  United States: N. p., 2024. 
        Web.  doi:10.15485/3003878.

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                    Stetten, Lucie, Boyanov, Maxim, O'Loughlin, Edward, Pushpajom Thomas, Shan, Bellsmith, Kathleen, Bittencourt Peixoto, Roberta, Machado-Silva, Fausto, Day, Donnie, Wilson, Stephanie, Vugteveen, Timothy, Myers-Pigg, Allison, Otenburg, Opal, Spanbauer, Trisha, Shevchenko, Elena, Weisenhorn, Pamela, Ward, Nicholas, Megonigal, J. Patrick, Weintraub, Michael, Bailey, Vanessa, & Kemner, Kenneth. Data for Stetten et al. (2025), "Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)".  United States.  doi:https://doi.org/10.15485/3003878

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                    Stetten, Lucie, Boyanov, Maxim, O'Loughlin, Edward, Pushpajom Thomas, Shan, Bellsmith, Kathleen, Bittencourt Peixoto, Roberta, Machado-Silva, Fausto, Day, Donnie, Wilson, Stephanie, Vugteveen, Timothy, Myers-Pigg, Allison, Otenburg, Opal, Spanbauer, Trisha, Shevchenko, Elena, Weisenhorn, Pamela, Ward, Nicholas, Megonigal, J. Patrick, Weintraub, Michael, Bailey, Vanessa, and Kemner, Kenneth. 2024.  
"Data for Stetten et al. (2025), "Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)"".  United States.  doi:https://doi.org/10.15485/3003878.  https://www.osti.gov/servlets/purl/3003878. Pub date:Tue Dec 31 23:00:00 EST 2024

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@article{osti_3003878,

  title        = {Data for Stetten et al. (2025), "Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)"},

  author       = {Stetten, Lucie and Boyanov, Maxim and O'Loughlin, Edward and Pushpajom Thomas, Shan and Bellsmith, Kathleen and Bittencourt Peixoto, Roberta and Machado-Silva, Fausto and Day, Donnie and Wilson, Stephanie and Vugteveen, Timothy and Myers-Pigg, Allison and Otenburg, Opal and Spanbauer, Trisha and Shevchenko, Elena and Weisenhorn, Pamela and Ward, Nicholas and Megonigal, J. Patrick and Weintraub, Michael and Bailey, Vanessa and Kemner, Kenneth},

  abstractNote = {Coastal environments are dynamic interfaces that mediate carbon and nutrient exchanges between terrestrial landscapes and open waters, but it is unclear how biogeochemical reactions, in particular iron (Fe) redox transformations, affect the understanding and prediction of coastal ecosystem functions. This dataset includes measurements from two freshwater sites in the Western and Central basins of Lake Erie (Ohio, United States) and two estuarine sites in the Chesapeake Bay (Maryland, United States); the analytical results were reported by Stetten et al. (2025) in Science of the Total Environment. It was produced as part of the COMPASS-FME project, which seeks to advance a scalable, predictive understanding of the fundamental biogeochemical processes, ecological structure, and ecosystem dynamics that distinguish coastal terrestrial-aquatic interfaces from the purely terrestrial or aquatic systems to which they are coupled. The sites were sampled in November 2022 (CRC), December 2022 (MSM), February 2023 (GCW), and March 2023 (OWC); site codes follow those used by Pennington et al. (2025).The dataset consists of the following soil data:- Solid data (Fe concentration, etc.)- Porewater data (sulfate, sulfide, etc.)- Linear combination fitting results of X-ray absorption near edge structure (XANES) spectra; i.e., quantitative results of the oxidation state of Fe, indicated as a proportion of pure Fe(III) and Fe(II) model compounds- Linear combination fitting results of EXAFS (extended X-ray absorption fine structure) spectra, indicated as proportion of of Fe-model compounds (illite, smectite, etc.)Each data type has a single file in comma-separated value (CSV) format. No special software is required to read it.},

  doi          = {10.15485/3003878},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Dec 31 23:00:00 EST 2024},

  month        = {Tue Dec 31 23:00:00 EST 2024}

}

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DOI: https://doi.org/10.15485/3003878

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Biogeochemical controls on iron speciation and cycling across upland to shoreline gradients in freshwater and estuarine coastal soils (Lake Erie and Chesapeake Bay, United States)

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Coastal environments are dynamic interfaces that mediate carbon and nutrient exchanges between terrestrial landscapes and open waters, and understanding the biogeochemical factors controlling these exchanges, particularly iron (Fe) redox transformations, is crucial for predicting coastal ecosystem functions. Here, we investigated the mechanisms controlling Fe speciation changes across upland-to-shoreline gradients in freshwater and estuarine soils using Fe K-edge X-ray absorption spectroscopy, solid and porewater composition analysis, and 16S rRNA sequencing analysis. We show that Fe transformations depend primarily on inundation patterns. In unsaturated uplands, Fe occurs as Fe(III) oxyhydroxides, mainly goethite (9–35 %), Fe(II,III)-phyllosilicates (39–89 %), and Fe(III)-organic species (0–61 %).more »« less
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