WHONDRS Surface Water Sampling for Metabolite Biogeography (Geochemistry and Aligned FTICR-MS)

Stegen, James C; Goldman, Amy E; Blackburn, Shannon E; Chu, Rosalie K; Danczak, Robert E; Garayburu-Caruso, Vanessa A; Graham, Emily B; Grieshauber, Casey; Lin, Xinming; Morad, Joseph W; Ren, Huiying; Renteria, Lupita; Resch, Charles T; Tfaily, Malak; Tolic, Nikola; Toyoda, Jason G; Wells, Jacqueline R; Znotinas, Katherine R; Brooks, Scott C; Bouskill, Nicholas J; Newcomer, Michelle; Rowe, Annette R; Saify, Alifya; Smith, Garrett; Soltanian, Mohamad Reza; Trustschel, Leah R; Turețcaia, Anna

doi:10.15485/1484811

Title: WHONDRS Surface Water Sampling for Metabolite Biogeography (Geochemistry and Aligned FTICR-MS)

Dataset
Other Related Research

Abstract

This dataset is from an ongoing global survey of surface water metabolites to provide understanding of the character of organic matter that may be delivered to subsurface sediments via hydrologic exchange. Data from this survey are published in batches. This first batch contains data from 27 sites. To implement the global survey, free stream sampling kits were provided to interested researchers throughout the world. Samples were collected with minimal constraints in terms of location, but following strict protocols, and shipped to the Environmental Molecular Sciences Laboratory (EMSL) for metabolomic analysis via Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). In addition, basic geochemistry analyses (e.g., dissolved organic carbon concentration, cations, anions) were conducted, standardized photos of each field system were taken, surface water hydrographs were collated from existing instrumentation, and extensive metadata were captured. All data types are provided in a standard format.The data package contains an R function that will launch a GUI that can be used to easily search, visualize, compile, and download data. The data are free to be used for any purpose, such as for manuscripts, presentations, and grant proposals. Please use the data package’s DOI to cite the data package. Note that individual hydrographs havemore »« less

Authors:

;

; Grieshauber, Casey;

;

; Toyoda, Jason G; Wells, Jacqueline R;

; Brooks, Scott C; Bouskill, Nicholas J more »

Pacific Northwest National Laboratory (PNNL)
University of Arizona/Pacific Northwest National Laboratory

Contributors:

Related Person:

;

; Rowe, Annette R; Saify, Alifya;

; Soltanian, Mohamad Reza; Trustschel, Leah R; Turețcaia, Anna

Oak Ridge National Laboratory
Lawrence Berkeley National Laboratory
University of Cincinnati
Washington State University
The Ohio State University
University of Texas at Austin

Publication Date:: Mon Nov 26 00:00:00 EST 2018

Other Number(s):: S000001; S000002; S000003; S000004; S000005; S000006; S000007; S000008; S000009; S000012; S000014; S000022; S000023; S000030; S000035; S000036; S000044; S000045; S000054; S000055; S000056; S000059; S000060; S000063; S000073

Research Org.:: Environmental System Science Data Infrastructure for a Virtual Ecosystem (ESS-DIVE) (United States); River Corridor and Watershed Biogeochemistry SFA

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

Subject:: 54 ENVIRONMENTAL SCIENCES

Keywords:: WHONDRS; Watershed; River Corridor; Biogeochemistry; Hydrology; River; Stream; Carbon; FTICR; Cations; Anions; Dissolved organic matter; Dissolved organic carbon; Metabolite; Metabolomics; Mass spectrometry; Hydrograph; River variation; EARTH SCIENCE > TERRESTRIAL HYDROSPHERE > SURFACE WATER; FTICR; pH; SpC; Phosphorus; Fluoride; Chloride; Sulfate; Nitrite; Nitrate; Total nitrogen; NPOC; Sodium; Calcium; Magnesium; Potassium; Iron; Temperature; Discharge; Gauge height

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OSTI Identifier:: 1484811

DOI:: https://doi.org/10.15485/1484811

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Citation Formats


                    Stegen, James C, Goldman, Amy E, Blackburn, Shannon E, Chu, Rosalie K, Danczak, Robert E, Garayburu-Caruso, Vanessa A, Graham, Emily B, Grieshauber, Casey, Lin, Xinming, Morad, Joseph W, Ren, Huiying, Renteria, Lupita, Resch, Charles T, Tfaily, Malak, Tolic, Nikola, Toyoda, Jason G, Wells, Jacqueline R, Znotinas, Katherine R, Brooks, Scott C, Bouskill, Nicholas J, Newcomer, Michelle, Rowe, Annette R, Saify, Alifya, Smith, Garrett, Soltanian, Mohamad Reza, Trustschel, Leah R, and Turețcaia, Anna. WHONDRS Surface Water Sampling for Metabolite Biogeography (Geochemistry and Aligned FTICR-MS).  United States: N. p., 2018. 
        Web.  doi:10.15485/1484811.

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                    Stegen, James C, Goldman, Amy E, Blackburn, Shannon E, Chu, Rosalie K, Danczak, Robert E, Garayburu-Caruso, Vanessa A, Graham, Emily B, Grieshauber, Casey, Lin, Xinming, Morad, Joseph W, Ren, Huiying, Renteria, Lupita, Resch, Charles T, Tfaily, Malak, Tolic, Nikola, Toyoda, Jason G, Wells, Jacqueline R, Znotinas, Katherine R, Brooks, Scott C, Bouskill, Nicholas J, Newcomer, Michelle, Rowe, Annette R, Saify, Alifya, Smith, Garrett, Soltanian, Mohamad Reza, Trustschel, Leah R, & Turețcaia, Anna. WHONDRS Surface Water Sampling for Metabolite Biogeography (Geochemistry and Aligned FTICR-MS).  United States.  doi:https://doi.org/10.15485/1484811

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                    Stegen, James C, Goldman, Amy E, Blackburn, Shannon E, Chu, Rosalie K, Danczak, Robert E, Garayburu-Caruso, Vanessa A, Graham, Emily B, Grieshauber, Casey, Lin, Xinming, Morad, Joseph W, Ren, Huiying, Renteria, Lupita, Resch, Charles T, Tfaily, Malak, Tolic, Nikola, Toyoda, Jason G, Wells, Jacqueline R, Znotinas, Katherine R, Brooks, Scott C, Bouskill, Nicholas J, Newcomer, Michelle, Rowe, Annette R, Saify, Alifya, Smith, Garrett, Soltanian, Mohamad Reza, Trustschel, Leah R, and Turețcaia, Anna. 2018.  
"WHONDRS Surface Water Sampling for Metabolite Biogeography (Geochemistry and Aligned FTICR-MS)".  United States.  doi:https://doi.org/10.15485/1484811.  https://www.osti.gov/servlets/purl/1484811. Pub date:Mon Nov 26 00:00:00 EST 2018

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@article{osti_1484811,

  title        = {WHONDRS Surface Water Sampling for Metabolite Biogeography (Geochemistry and Aligned FTICR-MS)},

  author       = {Stegen, James C and Goldman, Amy E and Blackburn, Shannon E and Chu, Rosalie K and Danczak, Robert E and Garayburu-Caruso, Vanessa A and Graham, Emily B and Grieshauber, Casey and Lin, Xinming and Morad, Joseph W and Ren, Huiying and Renteria, Lupita and Resch, Charles T and Tfaily, Malak and Tolic, Nikola and Toyoda, Jason G and Wells, Jacqueline R and Znotinas, Katherine R and Brooks, Scott C and Bouskill, Nicholas J and Newcomer, Michelle and Rowe, Annette R and Saify, Alifya and Smith, Garrett and Soltanian, Mohamad Reza and Trustschel, Leah R and Turețcaia, Anna},

  abstractNote = {This dataset is from an ongoing global survey of surface water metabolites to provide understanding of the character of organic matter that may be delivered to subsurface sediments via hydrologic exchange. Data from this survey are published in batches. This first batch contains data from 27 sites. To implement the global survey, free stream sampling kits were provided to interested researchers throughout the world. Samples were collected with minimal constraints in terms of location, but following strict protocols, and shipped to the Environmental Molecular Sciences Laboratory (EMSL) for metabolomic analysis via Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS). In addition, basic geochemistry analyses (e.g., dissolved organic carbon concentration, cations, anions) were conducted, standardized photos of each field system were taken, surface water hydrographs were collated from existing instrumentation, and extensive metadata were captured. All data types are provided in a standard format.The data package contains an R function that will launch a GUI that can be used to easily search, visualize, compile, and download data. The data are free to be used for any purpose, such as for manuscripts, presentations, and grant proposals. Please use the data package’s DOI to cite the data package. Note that individual hydrographs have separate DOIs, which are provided in the associated hydrograph files. These hydrograph-specific DOIs should also be cited when using those data. We ask that you email us at WHONDRS@pnnl.gov to let us know that you're using the data and acknowledge WHONDRS and the U.S. Department of Energy's Subsurface Biogeochemical Research program—which generously provides funding to WHONDRS—in your documents, presentations, etc. There is no obligation to include WHONDRS members as co-authors. Please note that this data package was originally published in November 2018. It was updated in May 2020. See the readme file in the data package for details. None of the geochemistry or FTICR-MS data were altered between versions. The GUI was updated.},

  doi          = {10.15485/1484811},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Nov 26 00:00:00 EST 2018},

  month        = {Mon Nov 26 00:00:00 EST 2018}

}

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DOI: https://doi.org/10.15485/1484811

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