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  1. Article: Occurrence and behavior of uranium and thorium series radionuclides in the Permian shale hydraulic fracturing wastes

    Thakur, Punam / Ward, Anderson L. / Schaub, Tanner M.

    Environmental science and pollution research. 2022 June, v. 29, no. 28

    2022  

    Abstract: Over the last decade, there has been a rapid growth in the use of hydraulic fracturing (fracking) to recover unconventional oil and gas in the Permian Basin of southeastern New Mexico (NM) and western Texas. Fracking generates enormous quantities of ... ...

    Abstract Over the last decade, there has been a rapid growth in the use of hydraulic fracturing (fracking) to recover unconventional oil and gas in the Permian Basin of southeastern New Mexico (NM) and western Texas. Fracking generates enormous quantities of wastes that contain technologically enhanced naturally occurring radioactive materials (TENORM), which poses risks to human health and the environment because of the relatively high doses of radioactivity. However, very little is known about the chemical composition and radioactivity levels of Permian Basin fracking wastes. Here, we report chemical as well as radiochemical compositions of hydraulic fracking wastes from the Permian Basin. Radium, the major TENORM of interest in unconventional drilling wastes, varied from 19.1 ± 1.2 to 35.9 ± 3.2 Bq/L for ²²⁶Ra, 10.3 ± 0.5 to 21.5 ± 1.2 Bq/L for ²²⁸Ra, and 2.0 ± 0.05 to 3.7 ± 0.07 Bq/L for ²²⁴Ra. In addition to elevated concentrations of radium, these wastewaters also contain elevated concentrations of dissolved salts and divalent cations such as Na⁺ (31,856–43,000 mg/L), Ca²⁺ (668–4123 mg/L), Mg²⁺ (202–2430 mg/L), K⁺ (148–780 mg/L), Sr²⁺ (101–260 mg/L), Cl⁻ (5160–66,700 mg/L), SO₄²⁻ (291–1980 mg/L), Br⁻ (315–596 mg/L), SiO₂ (20–32 mg/L), and high total dissolved solid (TDS) of 5000–173,000 mg/L compared to background waters. These elevated levels are of radiological significance and represent a major source of Ra in the environment. The recent discovery of large deposits of recoverable oil and gas in the Permian Basin will lead to more fracking, TENORM generation, and radium releases to the environment. This paper evaluates the potential radiation risks associated with TENORM wastes generated by the oil and gas recovery industry in the Permian Basin.
    Keywords Permian period ; basins ; calcium ; chemical composition ; human health ; hydraulic fracturing ; industry ; oils ; pollution ; radioactivity ; radium ; research ; shale ; thorium ; uranium ; wastewater ; New Mexico ; Texas
    Language English
    Dates of publication 2022-06
    Size p. 43058-43071.
    Publishing place Springer Berlin Heidelberg
    Document type Article
    ZDB-ID 1178791-0
    ISSN 1614-7499 ; 0944-1344
    ISSN (online) 1614-7499
    ISSN 0944-1344
    DOI 10.1007/s11356-021-18022-z
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  2. Article ; Online: Occurrence and behavior of uranium and thorium series radionuclides in the Permian shale hydraulic fracturing wastes.

    Thakur, Punam / Ward, Anderson L / Schaub, Tanner M

    Environmental science and pollution research international

    2022  Volume 29, Issue 28, Page(s) 43058–43071

    Abstract: Over the last decade, there has been a rapid growth in the use of hydraulic fracturing (fracking) to recover unconventional oil and gas in the Permian Basin of southeastern New Mexico (NM) and western Texas. Fracking generates enormous quantities of ... ...

    Abstract Over the last decade, there has been a rapid growth in the use of hydraulic fracturing (fracking) to recover unconventional oil and gas in the Permian Basin of southeastern New Mexico (NM) and western Texas. Fracking generates enormous quantities of wastes that contain technologically enhanced naturally occurring radioactive materials (TENORM), which poses risks to human health and the environment because of the relatively high doses of radioactivity. However, very little is known about the chemical composition and radioactivity levels of Permian Basin fracking wastes. Here, we report chemical as well as radiochemical compositions of hydraulic fracking wastes from the Permian Basin. Radium, the major TENORM of interest in unconventional drilling wastes, varied from 19.1 ± 1.2 to 35.9 ± 3.2 Bq/L for
    MeSH term(s) Humans ; Hydraulic Fracking ; Minerals ; Natural Gas ; Radioisotopes ; Radium/analysis ; Silicon Dioxide ; Thorium ; Uranium/analysis
    Chemical Substances Minerals ; Natural Gas ; Radioisotopes ; Uranium (4OC371KSTK) ; Thorium (60YU5MIG9W) ; Silicon Dioxide (7631-86-9) ; Radium (W90AYD6R3Q)
    Language English
    Publishing date 2022-01-29
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 1178791-0
    ISSN 1614-7499 ; 0944-1344
    ISSN (online) 1614-7499
    ISSN 0944-1344
    DOI 10.1007/s11356-021-18022-z
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  3. Article: Bimolecular Cross-Metathesis of a Tetrasubstituted Alkene with Allylic Sulfones.

    Sapkota, Rishi R / Jarvis, Jacqueline M / Schaub, Tanner M / Talipov, Marat R / Arterburn, Jeffrey B

    ChemistryOpen

    2019  Volume 8, Issue 2, Page(s) 201–205

    Abstract: Exquisite control of catalytic metathesis reactivity is possible through ligand-based variation of ruthenium carbene complexes. Sterically hindered alkenes, however, remain a generally recalcitrant class of substrates for intermolecular cross-metathesis. ...

    Abstract Exquisite control of catalytic metathesis reactivity is possible through ligand-based variation of ruthenium carbene complexes. Sterically hindered alkenes, however, remain a generally recalcitrant class of substrates for intermolecular cross-metathesis. Allylic chalcogenides (sulfides and selenides) have emerged as "privileged" substrates that exhibit enhanced turnover rates with the commercially available second-generation ruthenium catalyst. Increased turnover rates are advantageous when competing catalyst degradation is limiting, although specific mechanisms have not been defined. Herein, we describe facile cross-metathesis of allylic sulfone reagents with sterically hindered isoprenoid alkene substrates. Furthermore, we demonstrate the first example of intermolecular cross-metathesis of ruthenium carbenes with a tetrasubstituted alkene. Computational analysis by combined coupled cluster/DFT calculations exposes a favorable energetic profile for metallacyclobutane formation from chelating ruthenium β-chalcogenide carbene intermediates. These results establish allylic sulfones as privileged reagents for a substrate-based strategy of cross-metathesis derivatization.
    Language English
    Publishing date 2019-02-14
    Publishing country Germany
    Document type Journal Article
    ZDB-ID 2655605-4
    ISSN 2191-1363
    ISSN 2191-1363
    DOI 10.1002/open.201800296
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  4. Article: Bio-crude oil from hydrothermal liquefaction of wastewater microalgae in a pilot-scale continuous flow reactor

    Cheng, Feng / Jarvis, Jacqueline M / Yu, Jiuling / Jena, Umakanta / Nirmalakhandan, Nagamany / Schaub, Tanner M / Brewer, Catherine E

    Bioresource technology. 2019 Dec., v. 294

    2019  

    Abstract: To explore the feasibility of scaling up hydrothermal liquefaction (HTL) of algal biomass, a pilot-scale continuous flow reactor (CFR) was operated to produce bio-crude oil from algal biomass cultivated in urban wastewater. The CFR system ran algal ... ...

    Abstract To explore the feasibility of scaling up hydrothermal liquefaction (HTL) of algal biomass, a pilot-scale continuous flow reactor (CFR) was operated to produce bio-crude oil from algal biomass cultivated in urban wastewater. The CFR system ran algal slurry (5 wt.% solids loading) at 350 °C and 17 MPa for 4 h without any clogging issues. Bio-crude oil chemistry was characterized by high-resolution Fourier transform mass spectroscopy (FT-MS), proton nuclear magnetic resonance spectroscopy (1H NMR), bomb calorimetry, and elemental analysis. Bio-crude oil yield of 28.1 wt% was obtained with higher heating values of 38–39 MJ/kg. The quality of light bio-crude oil produced from the CFR system was comparable in terms of molecular structures to bio-crude oil produced in a batch reactor.
    Keywords batch systems ; biofuels ; biomass ; calorimetry ; chemical structure ; hydrothermal liquefaction ; mass spectrometry ; microalgae ; nuclear magnetic resonance spectroscopy ; slurries ; wastewater
    Language English
    Dates of publication 2019-12
    Publishing place Elsevier Ltd
    Document type Article
    ZDB-ID 1065195-0
    ISSN 1873-2976 ; 0960-8524
    ISSN (online) 1873-2976
    ISSN 0960-8524
    DOI 10.1016/j.biortech.2019.122184
    Database NAL-Catalogue (AGRICOLA)

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  5. Article ; Online: Potable-quality water recovery from primary effluent through a coupled algal-osmosis membrane system.

    Jiang, Wenbin / Lin, Lu / Gedara, S M Henkanatte / Schaub, Tanner M / Jarvis, Jacqueline M / Wang, Xinfeng / Xu, Xuesong / Nirmalakhandan, Nagamany / Xu, Pei

    Chemosphere

    2019  Volume 240, Page(s) 124883

    Abstract: A coupled algal-osmosis membrane treatment system was studied for recovering potable-quality water from municipal primary effluent. The core components of the system included a mixotrophic algal process for removal of biochemical oxygen demand (BOD) and ... ...

    Abstract A coupled algal-osmosis membrane treatment system was studied for recovering potable-quality water from municipal primary effluent. The core components of the system included a mixotrophic algal process for removal of biochemical oxygen demand (BOD) and nutrients, followed by a hybrid forward osmosis (FO)-reverse osmosis (RO) system for separation of biomass from the algal effluent and production of potable-quality water. Field experiments demonstrated consistent performance of the algal system to meet surface discharge standards for BOD and nutrients within a fed-batch processing time of 2-3 days. The hybrid FO-RO system reached water productivity of 1.57 L/m
    MeSH term(s) Bioreactors/microbiology ; Drinking Water/analysis ; Filtration/methods ; Membranes, Artificial ; Organic Chemicals/analysis ; Osmosis ; Rhodophyta/growth & development ; Saline Waters/chemistry ; Seawater/chemistry ; Waste Water/chemistry ; Water Pollutants, Chemical/analysis ; Water Purification/methods
    Chemical Substances Drinking Water ; Membranes, Artificial ; Organic Chemicals ; Waste Water ; Water Pollutants, Chemical
    Language English
    Publishing date 2019-09-16
    Publishing country England
    Document type Journal Article
    ZDB-ID 120089-6
    ISSN 1879-1298 ; 0045-6535 ; 0366-7111
    ISSN (online) 1879-1298
    ISSN 0045-6535 ; 0366-7111
    DOI 10.1016/j.chemosphere.2019.124883
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  6. Article ; Online: Bio-crude oil from hydrothermal liquefaction of wastewater microalgae in a pilot-scale continuous flow reactor.

    Cheng, Feng / Jarvis, Jacqueline M / Yu, Jiuling / Jena, Umakanta / Nirmalakhandan, Nagamany / Schaub, Tanner M / Brewer, Catherine E

    Bioresource technology

    2019  Volume 294, Page(s) 122184

    Abstract: To explore the feasibility of scaling up hydrothermal liquefaction (HTL) of algal biomass, a pilot-scale continuous flow reactor (CFR) was operated to produce bio-crude oil from algal biomass cultivated in urban wastewater. The CFR system ran algal ... ...

    Abstract To explore the feasibility of scaling up hydrothermal liquefaction (HTL) of algal biomass, a pilot-scale continuous flow reactor (CFR) was operated to produce bio-crude oil from algal biomass cultivated in urban wastewater. The CFR system ran algal slurry (5 wt.% solids loading) at 350 °C and 17 MPa for 4 h without any clogging issues. Bio-crude oil chemistry was characterized by high-resolution Fourier transform mass spectroscopy (FT-MS), proton nuclear magnetic resonance spectroscopy (
    MeSH term(s) Biofuels ; Biomass ; Gas Chromatography-Mass Spectrometry ; Microalgae ; Petroleum ; Temperature ; Waste Water ; Water
    Chemical Substances Biofuels ; Petroleum ; Waste Water ; Water (059QF0KO0R)
    Language English
    Publishing date 2019-09-21
    Publishing country England
    Document type Journal Article
    ZDB-ID 1065195-0
    ISSN 1873-2976 ; 0960-8524
    ISSN (online) 1873-2976
    ISSN 0960-8524
    DOI 10.1016/j.biortech.2019.122184
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  7. Article: Potable-quality water recovery from primary effluent through a coupled algal-osmosis membrane system

    Jiang, Wenbin / Gedara, S.M. Henkanatte / Jarvis, Jacqueline M / Lin, Lu / Nirmalakhandan, Nagamany / Schaub, Tanner M / Wang, Xinfeng / Xu, Pei / Xu, Xuesong

    Chemosphere. 2019 Sept. 15,

    2019  

    Abstract: A coupled algal-osmosis membrane treatment system was studied for recovering potable-quality water from municipal primary effluent. The core components of the system included a mixotrophic algal process for removal of biochemical oxygen demand (BOD) and ... ...

    Abstract A coupled algal-osmosis membrane treatment system was studied for recovering potable-quality water from municipal primary effluent. The core components of the system included a mixotrophic algal process for removal of biochemical oxygen demand (BOD) and nutrients, followed by a hybrid forward osmosis (FO)-reverse osmosis (RO) system for separation of biomass from the algal effluent and production of potable-quality water. Field experiments demonstrated consistent performance of the algal system to meet surface discharge standards for BOD and nutrients within a fed-batch processing time of 2–3 days. The hybrid FO-RO system reached water productivity of 1.57 L/m2-h in FO using seawater as draw solution; and permeate flux of 3.50 L/m2-h in brackish water RO (BWRO) and 2.07 L/m2-h in seawater RO (SWRO) at 2068 KPa. The coupled algal-membrane system achieved complete removal of ammonia, fluoride, and phosphate; over 90% removal of calcium, sulfate, and organic carbon; and 86–89% removal of potassium and magnesium. Broadband characterization using high resolution mass spectrometry revealed extensive removal of organic compounds, particularly wastewater surfactants upon algal treatment. This study demonstrated long-term performance of the FO system at water recovery of 90% and with membrane cleaning by NaOH solution.
    Keywords algae ; ammonia ; biochemical oxygen demand ; biomass ; brackish water ; calcium ; cleaning ; field experimentation ; fluorides ; magnesium ; mass spectrometry ; nutrients ; organic carbon ; organic compounds ; osmosis ; phosphates ; potassium ; processing time ; seawater ; sodium hydroxide ; sulfates ; surfactants ; wastewater
    Language English
    Dates of publication 2019-0915
    Publishing place Elsevier Ltd
    Document type Article
    Note Pre-press version
    ZDB-ID 120089-6
    ISSN 1879-1298 ; 0045-6535 ; 0366-7111
    ISSN (online) 1879-1298
    ISSN 0045-6535 ; 0366-7111
    DOI 10.1016/j.chemosphere.2019.124883
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  8. Article: Hydrothermal Liquefaction Biocrude Compositions Compared to Petroleum Crude and Shale Oil

    Jarvis, Jacqueline M / Billing Justin M / Hallen Richard T / Schaub Tanner M / Schmidt Andrew J

    Energy & Fuels. 2017 Mar. 16, v. 31, no. 3

    2017  

    Abstract: We provide a direct and detailed comparison of the chemical composition of petroleum crude oil (from the Gulf of Mexico), shale oil, and three biocrudes (i.e., clean pine, microalgae Chlorella sp., and sewage sludge feedstocks) generated by hydrothermal ... ...

    Abstract We provide a direct and detailed comparison of the chemical composition of petroleum crude oil (from the Gulf of Mexico), shale oil, and three biocrudes (i.e., clean pine, microalgae Chlorella sp., and sewage sludge feedstocks) generated by hydrothermal liquefaction (HTL). Ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) reveals that HTL biocrudes are compositionally more similar to shale oil than petroleum crude oil and that only a few heteroatom classes (e.g., N₁, N₂, N₁O₁, and O₁) are common to organic sediment- and biomass-derived oils. All HTL biocrudes contain a diverse range of oxygen-containing compounds when compared to either petroleum crude or shale oil. Overall, petroleum crude and shale oil are compositionally dissimilar to HTL oils, and >85% of the elemental compositions identified within the positive-ion electrospray (ESI) mass spectra of the HTL biocrudes were not present in either the petroleum crude or shale oil (>43% for negative-ion ESI). Direct comparison of the heteroatom classes that are common to both organic sediment- and biomass-derived oils shows that HTL biocrudes generally contain species with both smaller core structures and a lower degree of alkylation relative to either the petroleum crude or the shale oil. Three-dimensional plots of carbon number versus molecular double bond equivalents (with observed abundance as the third dimension) for abundant molecular classes reveal the specific relationship of the composition of HTL biocrudes to petroleum and shale oils to inform the possible incorporation of these oils into refinery operations as a partial amendment to conventional petroleum feeds.
    Keywords alkylation ; carbon ; Chlorella ; elemental composition ; feedstocks ; liquefaction ; mass spectrometry ; microalgae ; nitrogen ; oils ; petroleum ; sewage sludge ; shale ; Gulf of Mexico
    Language English
    Dates of publication 2017-0316
    Size p. 2896-2906.
    Publishing place American Chemical Society
    Document type Article
    ZDB-ID 1483539-3
    ISSN 1520-5029 ; 0887-0624
    ISSN (online) 1520-5029
    ISSN 0887-0624
    DOI 10.1021%2Facs.energyfuels.6b03022
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  9. Article ; Online: Detection of amine impurity and quality assessment of the MALDI matrix α-cyano-4-hydroxy-cinnamic acid for peptide analysis in the amol range.

    Rechthaler, Justyna / Pittenauer, Ernst / Schaub, Tanner M / Allmaier, Günter

    Journal of the American Society for Mass Spectrometry

    2013  Volume 24, Issue 5, Page(s) 701–710

    Abstract: We have studied sample preparation conditions to increase the reproducibility of positive UV-MALDI-TOF mass spectrometry of peptides in the amol range. By evaluating several α-cyano-4-hydroxy-cinnamic acid (CHCA) matrix batches and preparation protocols, ...

    Abstract We have studied sample preparation conditions to increase the reproducibility of positive UV-MALDI-TOF mass spectrometry of peptides in the amol range. By evaluating several α-cyano-4-hydroxy-cinnamic acid (CHCA) matrix batches and preparation protocols, it became apparent that two factors have a large influence on the reproducibility and the quality of the generated peptide mass spectra: (1) the selection of the CHCA matrix, which allows the most sensitive measurements and an easier finding of the "sweet spots," and (2) the amount of the sample volume deposited onto the thin crystalline matrix layer. We have studied in detail the influence of a contaminant, coming from commercial CHCA matrix batches, on sensitivity of generated peptide mass spectra in the amol as well as fmol range of a tryptic peptide mixture. The structure of the contaminant, N,N-dimethylbutyl amine, was determined by applying MALDI-FT-ICR mass spectrometry experiments for elemental composition and MALDI high energy CID experiments utilizing a tandem mass spectrometer (TOF/RTOF). A recrystallization of heavily contaminated CHCA batches that reduces or eliminates the determined impurity is described. Furthermore, a fast and reliable method for the assessment of CHCA matrix batches prior to tryptic peptide MALDI mass spectrometric analyses is presented.
    MeSH term(s) Amines/chemistry ; Animals ; Cattle ; Coumaric Acids/chemistry ; Cytochromes c/chemistry ; Peptides/analysis ; Peptides/chemistry ; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization/methods
    Chemical Substances Amines ; Coumaric Acids ; Peptides ; alpha-cyano-4-hydroxycinnamate (28166-41-8) ; Cytochromes c (9007-43-6)
    Language English
    Publishing date 2013-04-18
    Publishing country United States
    Document type Journal Article ; Research Support, Non-U.S. Gov't ; Research Support, U.S. Gov't, Non-P.H.S.
    ZDB-ID 1073671-2
    ISSN 1879-1123 ; 1044-0305
    ISSN (online) 1879-1123
    ISSN 1044-0305
    DOI 10.1007/s13361-013-0614-0
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  10. Article ; Online: Automated liquid injection field desorption/ionization for Fourier transform ion cyclotron resonance mass spectrometry.

    Smith, Donald F / Schaub, Tanner M / Rodgers, Ryan P / Hendrickson, Christopher L / Marshall, Alan G

    Analytical chemistry

    2008  Volume 80, Issue 19, Page(s) 7379–7382

    Abstract: We describe automation of liquid injection field desorption/ionization (LIFDI) for reproducible sample application, improved spectral quality, and high-throughput analyses. A commercial autosampler provides reproducible and unattended sample application. ...

    Abstract We describe automation of liquid injection field desorption/ionization (LIFDI) for reproducible sample application, improved spectral quality, and high-throughput analyses. A commercial autosampler provides reproducible and unattended sample application. A custom-built field desorption (FD) controller allows data station or front panel control of source parameters including high-voltage limit/ramp rate, emitter heating current limit/ramp rate, and feedback control of emitter heating current based on ion current measurement. Automated LIFDI facilitates ensemble averaging of hundreds of Fourier transform ion cyclotron resonance mass spectra for increased dynamic range, mass accuracy, and S/N ratio relative to single-application FD experiments, as shown here for a South American crude oil. This configuration can be adapted to any mass spectrometer with an LIFDI probe.
    Language English
    Publishing date 2008-10-01
    Publishing country United States
    Document type Journal Article
    ZDB-ID 1508-8
    ISSN 1520-6882 ; 0003-2700
    ISSN (online) 1520-6882
    ISSN 0003-2700
    DOI 10.1021/ac801085r
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