Terrestrial & Subsurface Ecosystems

The Terrestrial and Subsurface Ecosystems science theme focuses on the dynamics of nutrients, metabolites, and contaminants at biogeochemical interfaces in heterogeneous environments across multiple scales. By providing a mechanistic understanding of biogeochemical and microbial processes in soils and the subsurface, and linking those processes via pore-scale hydrological models, EMSL can improve strategies for sustainable solutions to contaminant attenuation, remediation and biogeochemical cycling.

EMSL has expanded its focus to include research in the terrestrial ecosystem by creating advanced spectrometric and spectroscopic capabilities to characterize organic matter in soil and groundwater; developing in situ tomographic imaging capabilities for the study of intact root and nutrient allocation; and expanding its pore- to intermediate-scale capabilities in unsaturated porous media.

EMSL is expanding its focus to include research in the terrestrial ecosystem by creating advanced capabilities to determine the chemical form of natural organic matter in soil and groundwater; developing a mechanistic understanding of the carbon cycle in the terrestrial ecosystem; and improving the linkage of fundamental studies of molecular geochemistry/biogeochemistry to field-scale modeling and predictive studies.

Within this science theme, EMSL will employ our research and that of our users for:

  • Hydrobiogeochemical elemental cycling: Develop a molecular-to pore-scale mechanistic understanding of the coupled biogeochemical controls, reactions and elemental cycling to advance a predictive understanding of the feedbacks between the water cycle and ecosystem biogeochemistry and inform biogeochemistry components of earth system models.

The Terrestrial and Subsurface Ecosystems science theme focuses on the dynamics of nutrients, metabolites, and contaminants at biogeochemical interfaces in heterogeneous environments across multiple scales. By providing a mechanistic understanding of biogeochemical and microbial processes in soils and the subsurface, and linking those processes via pore-scale hydrological models, EMSL can improve strategies for sustainable solutions to contaminant attenuation, remediation and biogeochemical cycling.

EMSL has expanded its focus to include research in the terrestrial ecosystem by creating advanced spectrometric and spectroscopic capabilities to characterize organic matter in soil and groundwater; developing in situ tomographic imaging capabilities for the study of intact root and nutrient allocation; and expanding its pore- to intermediate-scale capabilities in unsaturated porous media.

EMSL is expanding its focus to include research in the terrestrial ecosystem by creating advanced capabilities to determine the chemical form of natural organic matter in soil and groundwater; developing a mechanistic understanding of the carbon cycle in the terrestrial ecosystem; and improving the linkage of fundamental studies of molecular geochemistry/biogeochemistry to field-scale modeling and predictive studies.

Within this science theme, EMSL will employ our research and that of our users for:

  • Hydrobiogeochemical elemental cycling: Develop a molecular-to pore-scale mechanistic understanding of the coupled biogeochemical controls, reactions and elemental cycling to advance a predictive understanding of the feedbacks between the water cycle and ecosystem biogeochemistry and inform biogeochemistry components of earth system models.

DFT Study of Uranyl Peroxo Complexes with H2O, F−, OH−, CO3 2, and NO3−.

Abstract: 

The structural and electronic properties of monomeric uranyl peroxo complexes with aquo, hydroxo, fluoro, carbonate, and nitrate ligands have been studied using DFT calculations with relativistic pseudopotentials. The calculated affinity of the peroxo group for the actinyl moiety far exceeds that of the other ligands tested in this work.

Citation: 
Odoh SO, and G Schreckenbach.2013."DFT Study of Uranyl Peroxo Complexes with H2O, F?, OH?, CO3 2?, and NO3?."Inorganic Chemistry 52(9):5590-5602. doi:10.1021/ic400652b
Authors: 
SO Odoh
G Schreckenbach
Volume: 
52
Issue: 
9
Pages: 
5590-5602
Publication year: 
2013

Molecular Biomarker-Based Biokinetic Modeling of a PCE-Dechlorinating and Methanogenic Mixed Culture.

Abstract: 

Bioremediation of chlorinated ethenes via anaerobic reductive dechlorination relies upon the activity of specific microbial populations − most notably Dehalococcoides (DHC) strains. In the lab and field Dehalococcoides grow most robustly in mixed communities which usually contain both fermenters and methanogens. Recently, researchers have been developing quantitative molecular biomarkers to aid in field site diagnostics and it is hoped that these biomarkers could aid in the modeling of anaerobic reductive dechlorination. A comprehensive biokinetic model of a community containing Dehalococcoides mccartyi (formerly D. ethenogenes) was updated to describe continuously fed reactors with specific biomass levels based on
quantitative PCR (qPCR)-based population data (DNA and RNA). The model was calibrated and validated with subsets of chemical and molecular biological data from various continuous feed experiments (n = 24) with different loading rates of the electron acceptor (1.5 to 482 μeeq/L-h), types of electron acceptor (PCE, TCE, cis-DCE) and electron donor to electron acceptor ratios. The resulting model predicted the sum of dechlorination products vinyl chloride (VC) and ethene (ETH) well. However, VC alone was under-predicted and ETH was over predicted.
Consequently, competitive inhibition among chlorinated ethenes was examined and then added to the model. Additionally, as 16S rRNA gene copy numbers did not provide accurate model fits in all cases, we examined whether an improved fit could be obtained if mRNA levels for key functional enzymes could be used to infer respiration rates. The resulting empirically derived mRNA “adjustment factors” were added to the model for both DHC and the main methanogen in the culture (a Methanosaeta species) to provide a more nuanced prediction of activity. Results of this study suggest that at higher feeding rates competitive inhibition is important and mRNA provides a more accurate indicator of a population’s instantaneous activity than 16S rRNA gene copies alone as biomass estimates.

Citation: 
Heavner GL, AR Rowe, CB Mansfeldt, JK Pan, JM Gossett, and RE Richardson.2013."Molecular Biomarker-Based Biokinetic Modeling of a PCE-Dechlorinating and Methanogenic Mixed Culture."Environmental Science & Technology 47(8):3724-3733. doi:10.1021/es303517s
Authors: 
GL Heavner
AR Rowe
CB Mansfeldt
JK Pan
JM Gossett
RE Richardson
Capabilities: 
Volume: 
47
Issue: 
8
Pages: 
3724-3733
Publication year: 
2013

Static Electric Dipole Polarizabilities of Tri- and Tetravalent U, Np, and Pu Ions.

Abstract: 

High-quality static electric dipole polarizabilities have been determined for the ground
states of the hard-sphere cations of U, Np, and Pu in the III and IV oxidation states. The polarizabilities have been calculated using the numerical finite field technique in a four-component relativistic framework. Methods including Fock-space coupled cluster (FSCC) and Kramers-restricted configuration interaction (KRCI) have been performed in order to account for electron correlation effects. Comparisons between polarizabilities calculated using Dirac−Hartree−Fock (DHF), FSCC, and KRCI methods have been made using both triple- and quadruple-ζ basis sets for U4+. In addition to the ground state, this study also reports the polarizability data for the first two excited states of U3+/4+, Np3+/4+, and Pu3+/4+ ions at different levels of theory. The values reported in this work are the most accurate to date calculations for the dipole polarizabilities of the hard-sphere tri- and tetravalent actinide ions and may serve as reference values, aiding in the calculation of various electronic and
response properties (for example, intermolecular forces, optical properties, etc.) relevant to the nuclear fuel cycle and material science applications.

Citation: 
Parmar P, KA Peterson, and AE Clark.2013."Static Electric Dipole Polarizabilities of Tri- and Tetravalent U, Np, and Pu Ions."Journal of Physical Chemistry A 117(46):11874–11880. doi:10.1021/jp403078j
Authors: 
P Parmar
KA Peterson
AE Clark
Volume: 
Issue: 
Pages: 
Publication year: 
2013

Magnetic Separation Dynamics of Colloidal Magnetic Nanoparticles.

Abstract: 

Surface functionalized magnetic nanoparticles (MNPs) are appealing candidates for analytical separation of heavy metal ions from waste water and separation of actinides from spent nuclear fuel. This work studies the separation dynamics and investigates the appropriate magnetic-field gradients. A dynamic study of colloidal MNPs was performed for steady-state flow. Measurements were conducted to record the separation time of particles as a function of magnetic field gradient. The drag and magnetic forces play a significant role on the separation time. A drop in saturation magnetization and variation of particle size occurs after surface functionalization of the MNPs; these are the primary factors that affect the separation time and velocity of the MNPs. The experimental results are correlated to a theoretical one-dimensional model.

Citation: 
Kaur M, H Zhang, and Y Qiang.2013."Magnetic Separation Dynamics of Colloidal Magnetic Nanoparticles."IEEE Magnetics Letters 4:4000204. doi:10.1109/LMAG.2013.2271744
Authors: 
M Kaur
H Zhang
Y Qiang
Instruments: 
Volume: 
Issue: 
Pages: 
Publication year: 
2013

Pages

Leads

(509) 371-6385

Dr. Hess leads development and implementation of a vision for Terrestrial and Subsurface Ecosystem science within EMSL. She identifies specific objectives/targets and guides the assembly of the needed to implement the vision.  She also oversees...

Instruments

Highlighted Research Applications Characterization of natural and soil organic matter (NOM and SOM) CO2 sequestration investigations via high-...
Custodian(s): Sarah D Burton, David Hoyt
Research Applications Characterization of quadrupolar nuclei for inorganic and biological materials and natural sediments Cryogenic NMR capabilities...
Highlighted Research Applications EMSL's Bruker 500-MHz WB spectrometer is uniquely tailored for in vivo studies: Microbial biofilms relevant to...
Custodian(s):
Type of Instrument:
Nuclear Magnetic Resonance Spectrometer (NMR)
Research Applications Dynamics studies via 2H NMR Characterization of quadrupolar nuclei for materials and biological samples Characterization of...
Highlighted Research Applications Characterization of quadrupolar nuclei for materials and natural sediment samples High power diffusion...
Custodian(s): Nancy Washton

Publications

The structural and electronic properties of monomeric uranyl peroxo complexes with aquo, hydroxo, fluoro, carbonate, and nitrate ligands have been...
Bioremediation of chlorinated ethenes via anaerobic reductive dechlorination relies upon the activity of specific microbial populations −...
High-quality static electric dipole polarizabilities have been determined for the ground states of the hard-sphere cations of U, Np, and Pu in the...
Surface functionalized magnetic nanoparticles (MNPs) are appealing candidates for analytical separation of heavy metal ions from waste water and...
Thisstudyemployed16SrRNAgeneampliconpyrosequencingtoexaminethehypothesisthatchemolithotrophicFe(II)-oxidizing bacteria(FeOB)would preferentially...

Science Highlights

Posted: December 05, 2016
The Science A recent study demonstrated enormous potential for scientists to explore extremely complex molecular mixtures and systems frequently...
Posted: November 30, 2016
Researchers at the Department of Energy's Pacific Northwest National Laboratory injected carbon dioxide, or CO2, into basalt lava flows a half-mile...
Posted: October 24, 2016
The Science A new integrated model based on geochemical and multi-omic sequence information (DNA, RNA, protein) has been developed to explain key...
Posted: September 23, 2016
The Science Wetland environments are effective at mitigating migration of many groundwater contaminants because of their unique combination of...
Posted: September 22, 2016
Plutonium is a highly complex element. Scientists at Pacific Northwest National Laboratory and Washington State University used RadEMSL, EMSL’s...

Instruments

The interaction between plants and their environment is of key importance in promoting sustainable, healthy, and robust plant growth. Underlying the...
The microbial activities on which humanity and ecosystems depend are determined by microbial community membership and by the resources and conditions...
Peatlands store 1/3 of all soil carbon (C) and currently act as net C sinks sequestering C as a complex mixture of organic compounds. The anoxic,...
The proposed project will advance understanding of the response of methane production and methane oxidation to changes in plant productivity so that...
The proposed project will advance understanding of the response of methane production and methane oxidation to changes in plant productivity so that...