National Library of Energy BETA

Sample records for ms ms uo

  1. MS/MS Automated Selected Ion Chromatograms

    Energy Science and Technology Software Center (OSTI)

    2005-12-12

    This program can be used to read a LC-MS/MS data file from either a Finnigan ion trap mass spectrometer (.Raw file) or an Agilent Ion Trap mass spectrometer (.MGF and .CDF files) and create a selected ion chromatogram (SIC) for each of the parent ion masses chosen for fragmentation. The largest peak in each SIC is also identified, with reported statistics including peak elution time, height, area, and signal to noise ratio. It creates severalmore » output files, including a base peak intensity (BPI) chromatogram for the survey scan, a BPI for the fragmentation scans, an XML file containing the SIC data for each parent ion, and a "flat file" (ready for import into a database) containing summaries of the SIC data statistics.« less

  2. LA-983%MS

    Office of Legacy Management (LM)

    LA-983%MS p 1);: 3 -: ,,i .' . , , -- .. >: 1.. . bob l,,,o* atlonal t&,oratov is operated by the University of California for the United States Department of Energy under ...

  3. Ms. Maria Galanti

    Broader source: Energy.gov (indexed) [DOE]

    ... LPPIPORTS Administrative Record - CERCLA PPPO RecordsILEX PPP03-112943S-11 Ms. Maria Galanti Department of Energy PortsmouthPaducah Project Office 1017 Majestic Drive, Suite 200 ...

  4. LA-11224-MS

    Office of Scientific and Technical Information (OSTI)

    and UC-70 Issued: March 1988 LA--112 2 4-MS DE88 005902 FEHM: Finite Element Heat and Mass Transfer Code George Zyvoloski Zora Dash Sharad Kelkar DISCLAIMER This report was ...

  5. MS Based Metabonomics

    SciTech Connect (OSTI)

    Want, Elizabeth J.; Metz, Thomas O.

    2010-03-01

    Metabonomics is the latest and least mature of the systems biology triad, which also includes genomics and proteomics, and has its origins in the early orthomolecular medicine work pioneered by Linus Pauling and Arthur Robinson. It was defined by Nicholson and colleagues in 1999 as the quantitative measurement of perturbations in the metabolite complement of an integrated biological system in response to internal or external stimuli, and is often used today to describe many non-global types of metabolite analyses. Applications of metabonomics are extensive and include toxicology, nutrition, pharmaceutical research and development, physiological monitoring and disease diagnosis. For example, blood samples from millions of neonates are tested routinely by mass spectrometry (MS) as a diagnostic tool for inborn errors of metabolism. The metabonome encompasses a wide range of structurally diverse metabolites; therefore, no single analytical platform will be sufficient. Specialized sample preparation and detection techniques are required, and advances in NMR and MS technologies have led to enhanced metabonome coverage, which in turn demands improved data analysis approaches. The role of MS in metabonomics is still evolving as instrumentation and software becomes more sophisticated and as researchers realize the strengths and limitations of current technology. MS offers a wide dynamic range, high sensitivity, and reproducible, quantitative analysis. These attributes are essential for addressing the challenges of metabonomics, as the range of metabolite concentrations easily exceeds nine orders of magnitude in biofluids, and the diversity of molecular species ranges from simple amino and organic acids to lipids and complex carbohydrates. Additional challenges arise in generating a comprehensive metabolite profile, downstream data processing and analysis, and structural characterization of important metabolites. A typical workflow of MS-based metabonomics is shown in Figure

  6. Ms. Maggie Owen, Chair

    Office of Environmental Management (EM)

    8, 2013 Ms. Brenda Edwards U.S. Department of Energy, Buildings Technology Program Mail Stop EE-2J 1000 Independence Ave. SW Washington DC 20585-0121 RE: Revisions to Energy Efficiency Enforcement Regulations EERE-2011-BT-TD- 0005 Dear Ms. Edwards: The National Marine Manufacturers Association (NMMA) appreciates the opportunity to respond to the Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy's request for information published in the Federal Register (78 Fed. Reg.

  7. IMS - MS Data Extractor

    Energy Science and Technology Software Center (OSTI)

    2015-10-20

    An automated drift time extraction and computed associated collision cross section software tool for small molecule analysis with ion mobility spectrometry-mass spectrometry (IMS-MS). The software automatically extracts drift times and computes associated collision cross sections for small molecules analyzed using ion mobility spectrometry-mass spectrometry (IMS-MS) based on a target list of expected ions provided by the user.

  8. ICP-MS Workshop

    SciTech Connect (OSTI)

    Carman, April J.; Eiden, Gregory C.

    2014-11-01

    This is a short document that explains the materials that will be transmitted to LLNL and DNN HQ regarding the ICP-MS Workshop held at PNNL June 17-19th. The goal of the information is to pass on to LLNL information regarding the planning and preparations for the Workshop at PNNL in preparation of the SIMS workshop at LLNL.

  9. Ms. Maria Galanti

    Office of Environmental Management (EM)

    HAR 2 4 lDII Ohio Environmental Protection Agency Southeast District Office 2195 Front Street Logan, Ohio 43138 Dear Ms. Galanti: PPPO-03-1158259-11 CONSTRUCTION COMPLETION REPORT FOR REMOVAL OF THE X-533 SWITCHYARD COMPLEX AT THE PORTSMOUTH GASEOUS DIFFUSION PLANT, PIKETON, OHIO The Department of Energy is submitting the enclosed Construction Completion Report for Removal of the X-533 Switchyard Complex at the Portsmouth Gaseous Diffusion Plant, Piketon, Ohio (DOEIPPPO/03-0174&D1) to the

  10. MS, II-J

    Office of Legacy Management (LM)

    I' ; ,' Departm&th of Energy 1 MS, II-J Washington. DC 20585 ' . I I The Honorable John Gallagher ,)fl', /',' ' 103 E. Michigan Avenue .i., ,.' Battle Creek, Michigan 49016 _. Dear Mayor Gallagheri d,---, " '/ approachto openness i.n: with the: public. In (FUSRAP)i.is responsible agencies, determining ~author~ity, performing remedial action to cleanup sites to meet current radiological protection requirements.. A conservative set of technical evaluation guidelines is used in these

  11. LA-13859-MS

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    13859-MS Issued: September 2001 Nevada Test Site Radionuclide Inventory, 1951-1992 Scott M. Bowen David L. Finnegan Joseph L. Thompson Charles M. Miller (Deceased) Phyllis L. Baca Loretta F. Olivas Carmen G. Geoffrion David K. Smith* Wataru Goishi* Bradley K. Esser* Jesse W. Meadows* Neil Namboodiri* John F. Wild* *Lawrence Livermore National Laboratory, 7000 East Ave., Livermore, CA 94550-9234 Los Alamos N A T I O N A L L A B O R A T O R Y Los Alamos, New Mexico 87545 Nevada Test Site

  12. METLIN: MS/MS metabolite data from the MAGGIE Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    METLIN is a metabolite database for metabolomics containing over 50,000 structures, it also represents a data management system designed to assist in a broad array of metabolite research and metabolite identification by providing public access to its repository of current and comprehensive MS/MS metabolite data. An annotated list of known metabolites and their mass, chemical formula, and structure are available on the METLIN website. Each metabolite is conveniently linked to outside resources such as the the Kyoto Encyclopedia of Genes and Genomes (KEGG) for further reference and inquiry. MS/MS data is also available on many of the metabolites. The list is expanding continuously as more metabolite information is being deposited and discovered. [from http://metlin.scripps.edu/] Metlin is a component of the MAGGIE Project. MAGGIE is funded by the DOE Genomics: GTL and is an acronym for "Molecular Assemblies, Genes, and Genomics Integrated Efficiently."

  13. Ms. Susan Leckband, Chair W

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    MAR 1 9 2009 Ms. Susan Leckband, Chair W o r d Advisory Board 713 Jadwin, Suite 4 achland, WA 99352 Dear Ms. Leckband: Thank you for your letter dated December 5,2008, providing the Hanford Advisory Bbard's (Board) Consensus Advice #211. I appreciate the Board's participation and counsel during the meetings to discuss the future of the Hanford Site cleanup program as well as the recommendations contained in your letter. I wish to assure you that the Board will continue to be consulted, through

  14. Ms. Maria Galanti Site Coordinator

    Office of Environmental Management (EM)

    DEC 23 ZDto PPPO-03-1088949-11 Ohio Environmental Protection Agency 2195 Front Street Logan, Ohio 43138 Dear Ms. Galanti: REVISED CONSTRUCTION COMPLETION REPORT FOR PHASE I OF THE REMOVAL OF THE X-633 RECIRCULATING COOLING WATER COMPLEX AT THE PORTSMOUTH GASEOUS DIFFUSION PLANT, PIKETON, OHIO AND RESPONSES TO COMMENTS The Department of Energy is SUbmitting the enclosed revised Construction Completion Report for Phase I of the Removal of the X-633 ReCirculating Cooling Water Complex at the

  15. Ms. Maria Galanti Site Coordinator

    Office of Environmental Management (EM)

    3 0 2015 Ohio Environmental Protection Agency Southeast District Office 2195 Front Street Logan, Ohio 43138 Dear Ms. Galanti: PPP0-03-3065331-15 FINAL RECORD OF DECISION FOR THE PROCESS BUILDINGS AND COMPLEX FACILITIES DECONTAMINATION AND DECOMMISSIONING EVALUATION PROJECT AT THE PORTSMOUTH GASEOUS DIFFUSION PLANT, PIKETON, OHIO (DOE/PPP0/03-0425&Dl) References: 1. Letter from W. Murphie to M. Galanti, "Record of Decision for the Process Buildings and Complex Facilities Decontamination

  16. LA-5097-MS INFORMAL REPORT

    Office of Legacy Management (LM)

    5097-MS INFORMAL REPORT lamos lamos scientific laboratory scientific laboratory of the University of California of the University of California LOS ALAMOS. NEW MEXICO 87544 LOS ALAMOS. NEW MEXICO 87544 Los AIamos Land Areas Environmental Radiation Survey 1972 . In the interest of prompt distribution, this LAMS re port was not edited by the Technical Information staff. Printed in the United States of America. Available from National Technical Information Service U. S. Department of Commerce 5285

  17. Category:Jackson, MS | Open Energy Information

    Open Energy Info (EERE)

    Jackson, MS Jump to: navigation, search Go Back to PV Economics By Location Media in category "Jackson, MS" The following 16 files are in this category, out of 16 total....

  18. Ms. Maria Galanti Site Coordinator

    Office of Environmental Management (EM)

    ? 5 2011 PPPO-03-1251788-11 Ohio Environmental Protection Agency Southeast District Office 2195 Front Street Logan, Ohio 43138 Dear Ms. Galanti: TRANSMITTAL OF Dl CONSTRUCTION COMPLETION REPORT FOR PHASES I AND II OF THE REMOVAL OF THE X-760 CHEMICAL ENGINEERING BUILDING AT THE PORTSMOUTH GASEOUS DIFFUSION PLANT, PIKETON, OHIO (DOE/PPPO/03-0196&Dl) Reference: Letter from M. Galanti to J. Bradbume, "Construction Completion Report for Phases I and II ofthe Removal of the X-760 Chemical

  19. ARM - Campaign Instrument - ptr-ms

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    would love to hear from you Send us a note below or call us at 1-888-ARM-DATA. Send Campaign Instrument : Proton Transfer Reaction Mass Spectrometer (PTR-MS) Instrument...

  20. Enerkem Mississippi Biofuels Pontotoc, MS Facility

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Enerkem Mississippi Biofuels Pontotoc, MS Facility 2013 IBR Peer Review May 21 st , 2013 ... as part of the first wave of advanced biofuels projects in the U.S. The advanced and ...

  1. ARM - Campaign Instrument - pyran-eko-ms-801

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    eko-ms-801 Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Campaign Instrument : Pyranometer-eko-ms-801 (PYRAN-EKO-MS-801

  2. Mr. Christopher Lawrence and Ms. Julie Smith Office of Electricity...

    Broader source: Energy.gov (indexed) [DOE]

    Mr. Christopher Lawrence and Ms. Julie Smith Office of Electricity Delivery and Energy ... Lawrence and Ms. Smith, The Western Governors' Association (WGA) is submitting these ...

  3. LC-IMS-MS Feature Finder

    Energy Science and Technology Software Center (OSTI)

    2013-03-07

    LC-IMS-MS Feature Finder is a command line software application which searches for possible molecular ion signatures in multidimensional liquid chromatography, ion mobility spectrometry, and mass spectrometry data by clustering deisotoped peaks with similar monoisotopic mass values, charge states, elution times, and drift times. The software application includes an algorithm for detecting multiple conformations and co-eluting species in the ion mobility dimension. LC-IMS-MS Feature Finder is designed to create an output file with detected features thatmore » includes associated information about the detected features.« less

  4. LC-IMS-MS Feature Finder

    SciTech Connect (OSTI)

    2013-03-07

    LC-IMS-MS Feature Finder is a command line software application which searches for possible molecular ion signatures in multidimensional liquid chromatography, ion mobility spectrometry, and mass spectrometry data by clustering deisotoped peaks with similar monoisotopic mass values, charge states, elution times, and drift times. The software application includes an algorithm for detecting multiple conformations and co-eluting species in the ion mobility dimension. LC-IMS-MS Feature Finder is designed to create an output file with detected features that includes associated information about the detected features.

  5. MS-DM Nexus poster 081716

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Materials Science and Data Technology Nexus mini-symposium mini-symposium is 
 aligned with the CINT 2016 User Meeting, September 19 - 20. 
 You are encouraged to attend the CINT user workshop as well, as your schedule permits. Please go to https://conferences.newmexicoconsortium.org/ to register for both the CINT User Meeting and MS/DT Nexus.
 MS/DT Nexus registration fees will cover the mini-symposium talks, meals, and the evening reception on the 21st. Scope: Recent years have witnessed

  6. Analysis of Phosphonic Acids: Validation of Semi-Volatile Analysis by HPLC-MS/MS by EPA Method MS999

    SciTech Connect (OSTI)

    Owens, J; Vu, A; Koester, C

    2008-10-31

    The Environmental Protection Agency's (EPA) Region 5 Chicago Regional Laboratory (CRL) developed a method titled Analysis of Diisopropyl Methylphosphonate, Ethyl Hydrogen Dimethylamidophosphate, Isopropyl Methylphosphonic Acid, Methylphosphonic Acid, and Pinacolyl Methylphosphonic Acid in Water by Multiple Reaction Monitoring Liquid Chromatography/Tandem Mass Spectrometry: EPA Version MS999. This draft standard operating procedure (SOP) was distributed to multiple EPA laboratories and to Lawrence Livermore National Laboratory, which was tasked to serve as a reference laboratory for EPA's Environmental Reference Laboratory Network (ERLN) and to develop and validate analytical procedures. The primary objective of this study was to validate and verify the analytical procedures described in EPA Method MS999 for analysis of the listed phosphonic acids and surrogates in aqueous samples. The gathered data from this validation study will be used to: (1) demonstrate analytical method performance; (2) generate quality control acceptance criteria; and (3) revise the SOP to provide a validated method that would be available for use during a homeland security event. The data contained in this report will be compiled, by EPA CRL, with data generated by other EPA Regional laboratories so that performance metrics of EPA Method MS999 can be determined.

  7. CONCURRENC RTG. SYMBOL GC-34 Ms. Mary Beth Brado

    Office of Legacy Management (LM)

    MAY 2 9 1980 CONCURRENC RTG. SYMBOL GC-34 Ms. Mary Beth Brado "*N'W Town of Lewiston * i.., 1375 Ridge Road r'8 Lewiston, New York 14092 RTG.SYuBOL Dear Ms. Brado: .- ,l13. ...

  8. Bioenergia Brasil S A MS | Open Energy Information

    Open Energy Info (EERE)

    Brasil S A MS Jump to: navigation, search Name: Bioenergia Brasil SA (MS) Place: Mato Grosso do Sul, Brazil Product: Company developing a 100m litre per year ethanol plant in Mato...

  9. LA--12O48-MS DE91

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    -12O48-MS DE91 010299 I ~ I i Tm Thou.mwl Yews of Solitude? 0)1 llzfuhwh!lll Illfrlwiml i)ffo fhc Wmtefsolfltiwl Pilot Project Rqwsitory GrL~gor!/B L')/fo)"(i* Craig W. Kirhood** HmwjOfwf7y Marfit~/. Pmquak!!i+ ~~~~n~~~~L..Al...s.Me. M.xico 87541 L A N L % D I O T D I U E Table of Contents Preface . . . . . . . . . . . . . . . . . . . . . . . . . . .. .. .. .. .. .. .. D O . . . . . . . . . . . ...ooOO.OO..OOOOO"OO".OO """"."" 'ti 1. Introduction . .

  10. ICP-MS Data Analysis Software

    Energy Science and Technology Software Center (OSTI)

    1999-01-14

    VG2Xl - this program reads binary data files generated by VG instrumentals inductively coupled plasma-mass spectrometers using PlasmaQuad Software Version 4.2.1 and 4.2.2 running under IBM OS/2. ICPCalc - this module is a macro for Microsoft Excel written in VBA (Virtual Basic for Applications) that performs data analysis for ICP-MS data required for nuclear materials that cannot readily be done with the vendor''s software. VG2GRAMS - This program reads binary data files generated by VGmore » instruments inductively coupled plasma mass spectrometers using PlasmaQuad software versions 4.2.1 and 4.2.2 running under IBM OS/2.« less

  11. Municipal Energy Agency of MS | Open Energy Information

    Open Energy Info (EERE)

    Name: Municipal Energy Agency of MS Place: Mississippi Phone Number: (601) 362-2252 Facebook: https:www.facebook.compagesMunicipal-Energy-Agency-of-Mississippi Outage...

  12. Ms. Julie A. Smith Mr. Christopher Lawrence Office of Electricity...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    October 30, 2013 Ms. Julie A. Smith Mr. Christopher Lawrence Office of Electricity ... Smith and Mr. Lawrence: The Association of Fish and Wildlife Agencies (AFWA) would like to ...

  13. This is a paper model of the MS2 virus

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Researchers hope that MS2 therapies will help them around this problem. One cause of diabetes is an auto-immune reaction in which a person's immune system attacks the islet cells...

  14. Ms. Kimberly Krizanovic U.S. Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    0, 2012 Ms. Kimberly Krizanovic U.S. Department of Energy Office of the Chief Financial Officer 4 th Floor, Suite 4A-236 1000 Independence Avenue Washington, DC 20585 Dear Ms. Krizanovic: The American Institute of Certified Public Accountants (AICPA) is the national, professional association of CPAs, with 369,000 CPA members worldwide in business and industry, public practice, government, education, student affiliates and international associates. It sets ethical standards for the profession and

  15. Ms. Paula Call NEPA Document Manager US Department of Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Via electronic mail landconveyanceEA@rl.doe.gov October 19, 2012 Ms. Paula Call NEPA Document Manager US Department of Energy Richland Operations Office P0 Box 550, MSIN A2-15 Richland, WA 99352 Re: Scoping Comments on the Department of Energy's Notice of Intent to Prepare an Environmental Assessment (EA) for the Proposed Conveyance of Land at the Hanford Site, Richland, WA and Notice of Potential Floodplain and Wetland Involvement. Dear Ms. Call, I am writing on behalf of Hanford Challenge to

  16. When worlds collide - Mac to MS-DOS. [Data transfer to and from Apple Macintosh computers and MS-DOS based personal computers

    SciTech Connect (OSTI)

    Busbey, A.B.

    1989-04-01

    A number of methods and products, both hardware and software, to allow data exchange between Apple Macintosh computers and MS-DOS based systems. These included serial null modem connections, MS-DOS hardware and/or software emulation, MS-DOS disk-reading hardware and networking.

  17. Method for factor analysis of GC/MS data

    DOE Patents [OSTI]

    Van Benthem, Mark H; Kotula, Paul G; Keenan, Michael R

    2012-09-11

    The method of the present invention provides a fast, robust, and automated multivariate statistical analysis of gas chromatography/mass spectroscopy (GC/MS) data sets. The method can involve systematic elimination of undesired, saturated peak masses to yield data that follow a linear, additive model. The cleaned data can then be subjected to a combination of PCA and orthogonal factor rotation followed by refinement with MCR-ALS to yield highly interpretable results.

  18. PNM Resources 2401 Aztec NE, MS-Z100

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    PNM Resources 2401 Aztec NE, MS-Z100 Albuquerque, NM 87107 505-241-2025 Fax 505 241-2384 PNMResources.com October 29, 2013 Mr. Christopher Lawrence Office of Electricity Delivery and Energy Reliability (OE-20) U.S. Department of Energy 1000 Independence Avenue, SW Washington, DC 20585 Submitted electronically via email to: Christopher.Lawrence@hq.doe.gov Dear Mr. Lawrence: Subject: Department of Energy (DOE)- Improving Performance of Federal Permitting and Review of Infrastructure Projects,

  19. ST. LCUIS ST. LallS JOKIN KFms Clrv S!. LrMS ST. Lcm

    Office of Legacy Management (LM)

    Ho. 30 !2121/87 smt6w cm ST. LCUIS ST. LallS JOKIN KFms Clrv S!. LrMS ST. Lcm

  20. Characterization of Fatty Acids in Crenarchaeota by GC-MS and...

    Office of Scientific and Technical Information (OSTI)

    Title: Characterization of Fatty Acids in Crenarchaeota by GC-MS and NMR Lipids composed ... Because lipids are energy currency and cell signaling molecules, their presence in Archaea ...

  1. PIK M.S. Onegin Petersburg Nuclear Physics Institute 2015 Super...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    isotopes production in high-flux reactor PIK M.S. Onegin Petersburg Nuclear Physics Institute 2015 Super Heavy Elements Symposium Reactor PIK 2011 - Criticality reached 2013 - ...

  2. ICP MS selection of radiopure materials for the GERDA experiment

    SciTech Connect (OSTI)

    Di Vacri, M. L.; Nisi, S.; Cattadori, C.; Janicsko, J.; Lubashevskiy, A.; Smolnikov, A.; Walter, M.

    2015-08-17

    The GERDA (GERmanium Detector Array) experiment, located in the Gran Sasso Underground Laboratory (LNGS, Italy) aims to search for neutrinoless double beta (0νββ) decay of the {sup 76}Ge isotope. Both an ultra-low radioactivity background environment and active techniques to abate the residual background are required to reach the background index (of 10{sup −3} counts/keV kg y) at the Q{sub ββ}. In order to veto and suppress those events that partially deposit energy in Ge detectors, the readout of liquid argon (LAr) scintillation light (SL) has been implemented for the second GERDA experimental Phase. A double veto system has been designed and constructed using highly radiopure materials (scintillating fibers, wavelength shifters, polymeric foils, reflective foils). This work describes the study of lead, thorium and uranium ultra-trace content, performed at the LNGS Chemistry Laboratory by High Resolution Mass Spectrometry (HR ICP MS), for the selection of all materials involved in the construction of the veto system.

  3. Gas chromatograph-mass spectrometer (GC/MS) system for quantitative analysis of reactive chemical compounds

    DOE Patents [OSTI]

    Grindstaff, Quirinus G.

    1992-01-01

    Described is a new gas chromatograph-mass spectrometer (GC/MS) system and method for quantitative analysis of reactive chemical compounds. All components of such a GC/MS system external to the oven of the gas chromatograph are programmably temperature controlled to operate at a volatilization temperature specific to the compound(s) sought to be separated and measured.

  4. On the Ionization and Ion Transmission Efficiencies of Different ESI-MS Interfaces

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Cox, Jonathan T.; Marginean, Ioan; Smith, Richard D.; Tang, Keqi

    2014-09-30

    It is well known that the achievable sensitivity of electrospray ionization mass spectrometry (ESI-MS) is largely determined by the ionization efficiency in the ESI source and ion transmission efficiency through the ESI-MS interface. In this report we systematically study the ion transmission and ionization efficiencies in different ESI-MS interface configurations. The configurations under investigation include a single emitter/single inlet capillary, single emitter/multi-inlet capillary, and a subambient pressure ionization with nanoelectrospray (SPIN) MS interfaces with a single emitter and an emitter array, respectively. We present an effective method to evaluate the overall ion utilization efficiency of an ESI-MS interface by measuringmore » the total gas phase ion current transmitted through the interface and correlating it to the observed ion abundance measured in the corresponding mass spectrum. Our experimental results suggest that the overall ion utilization efficiency in the SPIN-MS interface configurations is better than that in the inlet capillary based ESI-MS interface configurations.« less

  5. On the Ionization and Ion Transmission Efficiencies of Different ESI-MS Interfaces

    SciTech Connect (OSTI)

    Cox, Jonathan T.; Marginean, Ioan; Smith, Richard D.; Tang, Keqi

    2014-09-30

    It is well known that the achievable sensitivity of electrospray ionization mass spectrometry (ESI-MS) is largely determined by the ionization efficiency in the ESI source and ion transmission efficiency through the ESI-MS interface. In this report we systematically study the ion transmission and ionization efficiencies in different ESI-MS interface configurations. The configurations under investigation include a single emitter/single inlet capillary, single emitter/multi-inlet capillary, and a subambient pressure ionization with nanoelectrospray (SPIN) MS interfaces with a single emitter and an emitter array, respectively. We present an effective method to evaluate the overall ion utilization efficiency of an ESI-MS interface by measuring the total gas phase ion current transmitted through the interface and correlating it to the observed ion abundance measured in the corresponding mass spectrum. Our experimental results suggest that the overall ion utilization efficiency in the SPIN-MS interface configurations is better than that in the inlet capillary based ESI-MS interface configurations.

  6. Training is sponsoring two MS PowerPoint Courses. The course...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Training is sponsoring two MS PowerPoint Courses. The course options feature level 1 and level 2. This email is to gauge interest. The associated cost per class is 200.00. If...

  7. Paul W. King, Ph.D., M.S. | Bioenergy | NREL

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Paul W. King Paul W. King, Ph.D., M.S. Scientist VI - Supervisor, Photobiology Group Paul.King@nrel.gov | 303-384-6277 Research Interests Paul King's research interests are broadly ...

  8. File:USDA-CE-Production-GIFmaps-MS.pdf | Open Energy Information

    Open Energy Info (EERE)

    MS.pdf Jump to: navigation, search File File history File usage Mississippi Ethanol Plant Locations Size of this preview: 776 600 pixels. Full resolution (1,650 1,275...

  9. Ms. Brenda Edwards U.S. Department of Energy, Buildings Technology Program

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    8, 2013 Ms. Brenda Edwards U.S. Department of Energy, Buildings Technology Program Mail Stop EE-2J 1000 Independence Ave. SW Washington DC 20585-0121 RE: Revisions to Energy Efficiency Enforcement Regulations EERE-2011-BT-TD- 0005 Dear Ms. Edwards: The National Marine Manufacturers Association (NMMA) appreciates the opportunity to respond to the Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy's request for information published in the Federal Register (78 Fed. Reg.

  10. DOE - Office of Legacy Management -- Tatum Salt Dome Test Site - MS 01

    Office of Legacy Management (LM)

    Tatum Salt Dome Test Site - MS 01 Site ID (CSD Index Number): MS.01 Site Name: Tatum Salt Dome Test Site Site Summary: Site Link: http://www.lm.doe.gov/salmon/Sites.aspx External Site Link: Alternate Name(s): Tatum Salt Dome Test Site Alternate Name Documents: Location: Salmon, Mississippi Location Documents: Historical Operations (describe contaminants): Underground nuclear test site Historical Operations Documents: Eligibility Determination: Remediated by DOE Eligibility Determination

  11. Modeling and simulation of Red Teaming. Part 1, Why Red Team M&S?

    SciTech Connect (OSTI)

    Skroch, Michael J.

    2009-11-01

    Red teams that address complex systems have rarely taken advantage of Modeling and Simulation (M&S) in a way that reproduces most or all of a red-blue team exchange within a computer. Chess programs, starting with IBM's Deep Blue, outperform humans in that red-blue interaction, so why shouldn't we think computers can outperform traditional red teams now or in the future? This and future position papers will explore possible ways to use M&S to augment or replace traditional red teams in some situations, the features Red Team M&S should possess, how one might connect live and simulated red teams, and existing tools in this domain.

  12. Ms. Chris Andres, Chief Bureau of Federal Facilities Division of Environmental Protection

    Office of Legacy Management (LM)

    Ms. Chris Andres, Chief Bureau of Federal Facilities Division of Environmental Protection 2030 E. Flamingo Road, Suite 230 Las Vegas, NV 89119-0818 June 16,2014 PATH FORWARD: 2014 SHORT-TERM DATA ACQUISITION PLAN PROJECT SHOAL AREA, SUB SURF ACE CORRECTIVE ACTION UNIT 44 7, NEVADA Dear Ms. Andres: The U.S. Departtnent of Energy (DOE) Office of Legacy Management (LM) is providing this Short- Term Data Acquisition Plan for the Shoal, Nevada, Site, Subsurface Corrective Action Unit 447, near

  13. Improving Alpha Spectrometry Energy Resolution by Ion Implantation with ICP-MS

    SciTech Connect (OSTI)

    Dion, Michael P.; Liezers, Martin; Farmer, Orville T.; Miller, Brian W.; Morley, Shannon M.; Barinaga, Charles J.; Eiden, Gregory C.

    2015-01-01

    We report results of a novel technique using an Inductively Coupled Plasma Mass Spectrometer (ICP-MS) as a method of source preparation for alpha spectrometry. This method produced thin, contaminant free 241Am samples which yielded extraordinary energy resolution which appear to be at the lower limit of the detection technology used in this research.

  14. Dear Ms

    Office of Environmental Management (EM)

    31, 2012 Office of the General Counsel, Department of Energy Dear Mr. Cohen, Unfortunately we missed the dead line for the first set of comments regarding regulatory burden. We've searched the web at http://www.regulations.gov for any comments from the first round due on January 5, 2012 and could not find any. The situation we described last year (see below) has not improved. We are waiting for additional rules from DOE but don't believe they'll provide the needed relief from regulatory burden.

  15. Dear Ms

    Office of Environmental Management (EM)

    oral, as well as written. The main purpose of these discussions is to notify [insert name of offeror] of deficiencies and weaknesses in its proposal, as well as other aspects of its proposal that could be altered or explained. These deficiencies, weaknesses and other aspects of the proposal that could be altered or explained are specified in Attachment 1. [insert name of offeror] is requested to meet with the DOE SEB on [insert date] , beginning at [insert time] in [insert location] to discuss

  16. Dear Ms

    Office of Environmental Management (EM)

    in writing. The main purpose of these discussions is to notify [insert name of offeror] of deficiencies and weaknesses in its proposal, as well as other aspects of its proposal that could be altered or explained. These deficiencies, weaknesses and other aspects of the proposal that could be altered or explained are specified in Attachment 1. [insert name of offeror] should address each issue identified in Attachment 1 thoroughly in a written response to DOE. Your response is required no later

  17. An enhanced droplet-based liquid microjunction surface sampling system coupled with HPLC-ESI-MS/MS for spatially resolved analysis

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Van Berkel, Gary J.; Weiskittel, Taylor M.; Kertesz, Vilmos

    2014-11-07

    Droplet-based liquid microjunction surface sampling coupled with high-performance liquid chromatography (HPLC)-electrospray ionization (ESI)-tandem mass spectrometry (MS/MS) for spatially resolved analysis provides the possibility of effective analysis of complex matrix samples and can provide a greater degree of chemical information from a single spot sample than is typically possible with a direct analysis of an extract. Described here is the setup and enhanced capabilities of a discrete droplet liquid microjunction surface sampling system employing a commercially available CTC PAL autosampler. The system enhancements include incorporation of a laser distance sensor enabling unattended analysis of samples and sample locations of dramatically disparatemore » height as well as reliably dispensing just 0.5 μL of extraction solvent to make the liquid junction to the surface, wherein the extraction spot size was confined to an area about 0.7 mm in diameter; software modifications improving the spatial resolution of sampling spot selection from 1.0 to 0.1 mm; use of an open bed tray system to accommodate samples as large as whole-body rat thin tissue sections; and custom sample/solvent holders that shorten sampling time to approximately 1 min per sample. Lastly, the merit of these new features was demonstrated by spatially resolved sampling, HPLC separation, and mass spectral detection of pharmaceuticals and metabolites from whole-body rat thin tissue sections and razor blade (“crude”) cut mouse tissue.« less

  18. Response Model for Kodak Biomax-MS Film to X Rays

    SciTech Connect (OSTI)

    Knauer, J.P.; Marshall, F.J.; Yaakobi, B.; Anderson, D.; Schmitt, B.A.; Chandler, K.M.; Pikuz, S.A.; Shelkovenko, T.A.; Mitchell, M.D.; Hammer, D.A.

    2007-01-24

    X-raysensitive film is used for a variety of imaging and spectroscopic diagnostics for high-temperature plasmas. New film becomes available as older films are phased out of production. Biomax-MS is a T-grain class of film that is proposed as a replacement for Kodak DEF film. A model of its response to x rays is presented. Data from dimensional measurements of the film, x-ray transmission measurements, SEM micrograph images, and x-ray calibration are used to develop this sensitivity model of Biomax-MS film as a function of x-ray energy and angle of incidence. Relative response data provide a check of the applicability of this model to determine the x-ray flux from spectrum data. This detailed film characterization starts with simple mathematical models and extends them to T-grain type film.

  19. Response model for Kodak Biomax-MS film to x rays

    SciTech Connect (OSTI)

    Knauer, J. P.; Marshall, F. J.; Yaakobi, B.; Anderson, D.; Schmitt, B. A.; Chandler, K. M.; Pikuz, S. A.; Shelkovenko, T. A.; Mitchell, M. D.; Hammer, D. A.

    2006-10-15

    X-ray-sensitive film is used for a variety of imaging and spectroscopic diagnostics for high-temperature plasmas. Replacement film must be found as older films are phased out of production. Biomax-MS is a 'T-grain' class of film that is proposed as a replacement for Kodak DEF and a model of its response to x rays is presented. Data from dimensional measurements of the film, x-ray transmission measurements, scanning electron microscopy micrograph images, and x-ray calibration are used to develop this sensitivity model of Biomax-MS film as a function of x-ray energy and angle of incidence. Relative response data provide a check of the applicability of this model to determine the x-ray flux from spectrum data. This detailed film characterization starts with simple mathematical models and extends them to T-grain-type film.

  20. To: Ms. Brenda Edwards U.S. Department of Energy, Building Technologies Program

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    0, 2012 To: Ms. Brenda Edwards U.S. Department of Energy, Building Technologies Program Mailstop EE-2J, 1000 Independence Avenue Washington, DC 20585-0121 Phone: (202) 586-2945 cc: Michelle Blaise (VP, ComEd Engineering & Project Management) Joseph Watson (Director, Federal Government Affairs) Martin Rave (Prin Engineer, ComEd Distribution Standards) From: Peter Tyschenko (Manager, ComEd Distribution Standards) Two Lincoln Centre Oakbrook Terrace, IL 60181-4260 Phone: (630) 576-6998 Subject:

  1. To: Ms. Brenda Edwards U.S. Department of Energy, Building Technologies Program

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    8, 2011 To: Ms. Brenda Edwards U.S. Department of Energy, Building Technologies Program Mailstop EE-2J, 1000 Independence Avenue Washington, DC 20585-0121 Phone: (202) 586-2945 cc: Michelle Blaise (VP, ComEd Engineering & Project Management) Joseph Watson (Director, Federal Government Affairs) Martin Rave (Prin Engineer, ComEd Distribution Standards) From: Peter Tyschenko (Manager, ComEd Distribution Standards) Two Lincoln Centre Oakbrook Terrace, IL 60181-4260 Phone: (630) 576-6998 Subject:

  2. Ms Van T Nguyen | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Van T Nguyen Scientific User Facilities (SUF) Division SUF Home About Staff Dr. James B. Murphy What's New User Facilities Projects Accelerator & Detector Research Science Highlights Principal Investigators' Meetings BES Home Staff Ms. Van T Nguyen Print Text Size: A A A FeedbackShare Page Van T. Nguyen Program Manager Facility Coordination, Metrics, and Assessment Office of Basic Energy Sciences SC-22.3/Germantown Building U.S. Department of Energy 1000 Independence Avenue, SW Washington,

  3. Sources of Technical Variability in Quantitative LC-MS Proteomics: Human Brain Tissue Sample Analysis.

    SciTech Connect (OSTI)

    Piehowski, Paul D.; Petyuk, Vladislav A.; Orton, Daniel J.; Xie, Fang; Moore, Ronald J.; Ramirez Restrepo, Manuel; Engel, Anzhelika; Lieberman, Andrew P.; Albin, Roger L.; Camp, David G.; Smith, Richard D.; Myers, Amanda J.

    2013-05-03

    To design a robust quantitative proteomics study, an understanding of both the inherent heterogeneity of the biological samples being studied as well as the technical variability of the proteomics methods and platform is needed. Additionally, accurately identifying the technical steps associated with the largest variability would provide valuable information for the improvement and design of future processing pipelines. We present an experimental strategy that allows for a detailed examination of the variability of the quantitative LC-MS proteomics measurements. By replicating analyses at different stages of processing, various technical components can be estimated and their individual contribution to technical variability can be dissected. This design can be easily adapted to other quantitative proteomics pipelines. Herein, we applied this methodology to our label-free workflow for the processing of human brain tissue. For this application, the pipeline was divided into four critical components: Tissue dissection and homogenization (extraction), protein denaturation followed by trypsin digestion and SPE clean-up (digestion), short-term run-to-run instrumental response fluctuation (instrumental variance), and long-term drift of the quantitative response of the LC-MS/MS platform over the 2 week period of continuous analysis (instrumental stability). From this analysis, we found the following contributions to variability: extraction (72%) >> instrumental variance (16%) > instrumental stability (8.4%) > digestion (3.1%). Furthermore, the stability of the platform and its suitability for discovery proteomics studies is demonstrated.

  4. Evaluation of ultra-low background materials for uranium and thorium using ICP-MS

    SciTech Connect (OSTI)

    Hoppe, E. W.; Overman, N. R.; LaFerriere, B. D.

    2013-08-08

    An increasing number of physics experiments require low background materials for their construction. The presence of Uranium and Thorium and their progeny in these materials present a variety of unwanted background sources for these experiments. The sensitivity of the experiments continues to drive the necessary levels of detection ever lower as well. This requirement for greater sensitivity has rendered direct radioassay impractical in many cases requiring large quantities of material, frequently many kilograms, and prolonged counting times, often months. Other assay techniques have been employed such as Neutron Activation Analysis but this requires access to expensive facilities and instrumentation and can be further complicated and delayed by the formation of unwanted radionuclides. Inductively Coupled Plasma Mass Spectrometry (ICP-MS) is a useful tool and recent advancements have increased the sensitivity particularly in the elemental high mass range of U and Th. Unlike direct radioassay, ICP-MS is a destructive technique since it requires the sample to be in liquid form which is aspirated into a high temperature plasma. But it benefits in that it usually requires a very small sample, typically about a gram. This paper discusses how a variety of low background materials such as copper, polymers, and fused silica are made amenable to ICP-MS assay and how the arduous task of maintaining low backgrounds of U and Th is achieved.

  5. Evaluation of Ultra-Low Background Materials for Uranium and Thorium Using ICP-MS

    SciTech Connect (OSTI)

    Hoppe, Eric W.; Overman, Nicole R.; LaFerriere, Brian D.

    2013-08-08

    An increasing number of physics experiments require low background materials for their construction. The presence of Uranium and Thorium and their progeny in these materials present a variety of unwanted background sources for these experiments. The sensitivity of the experiments continues to drive the necessary levels of detection ever lower as well. This requirement for greater sensitivity has rendered direct radioassay impractical in many cases requiring large quantities of material, frequently many kilograms, and prolonged counting times, often months. Other assay techniques have been employed such as Neutron Activation Analysis but this requires access to expensive facilities and instrumentation and can be further complicated and delayed by the formation of unwanted radionuclides. Inductively Coupled Plasma Mass Spectrometry (ICP-MS) is a useful tool and recent advancements have increased the sensitivity particularly in the elemental high mass range of U and Th. Unlike direct radioassay, ICP-MS is a destructive technique since it requires the sample to be in liquid form which is aspirated into a high temperature plasma. But it benefits in that it usually requires a very small sample, typically about a gram. Here we will discuss how a variety of low background materials such as copper, polymers, and fused silica are made amenable to ICP-MS assay and how the arduous task of maintaining low backgrounds of U and Th is achieved.

  6. Ion mobility spectrometry–mass spectrometry (IMS–MS) for on- and offline analysis of atmospheric gas and aerosol species

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Krechmer, Jordan E.; Groessl, Michael; Zhang, Xuan; Junninen, Heikki; Massoli, Paola; Lambe, Andrew T.; Kimmel, Joel R.; Cubison, Michael J.; Graf, Stephan; Lin, Ying-Hsuan; et al

    2016-07-25

    Measurement techniques that provide molecular-level information are needed to elucidate the multiphase processes that produce secondary organic aerosol (SOA) species in the atmosphere. Here we demonstrate the application of ion mobility spectrometry-mass spectrometry (IMS–MS) to the simultaneous characterization of the elemental composition and molecular structures of organic species in the gas and particulate phases. Molecular ions of gas-phase organic species are measured online with IMS–MS after ionization with a custom-built nitrate chemical ionization (CI) source. This CI–IMS–MS technique is used to obtain time-resolved measurements (5 min) of highly oxidized organic molecules during the 2013 Southern Oxidant and Aerosol Study (SOAS) ambientmore » field campaign in the forested SE US. The ambient IMS–MS signals are consistent with laboratory IMS–MS spectra obtained from single-component carboxylic acids and multicomponent mixtures of isoprene and monoterpene oxidation products. Mass-mobility correlations in the 2-D IMS–MS space provide a means of identifying ions with similar molecular structures within complex mass spectra and are used to separate and identify monoterpene oxidation products in the ambient data that are produced from different chemical pathways. Water-soluble organic carbon (WSOC) constituents of fine aerosol particles that are not resolvable with standard analytical separation methods, such as liquid chromatography (LC), are shown to be separable with IMS–MS coupled to an electrospray ionization (ESI) source. The capability to use ion mobility to differentiate between isomers is demonstrated for organosulfates derived from the reactive uptake of isomers of isoprene epoxydiols (IEPOX) onto wet acidic sulfate aerosol. Controlled fragmentation of precursor ions by collisionally induced dissociation (CID) in the transfer region between the IMS and the MS is used to validate MS peak assignments, elucidate structures of

  7. Toward Joint Hypothesis-Tests Seismic Event Screening Analysis: Ms|mb and Event Depth

    SciTech Connect (OSTI)

    Anderson, Dale; Selby, Neil

    2012-08-14

    Well established theory can be used to combine single-phenomenology hypothesis tests into a multi-phenomenology event screening hypothesis test (Fisher's and Tippett's tests). Commonly used standard error in Ms:mb event screening hypothesis test is not fully consistent with physical basis. Improved standard error - Better agreement with physical basis, and correctly partitions error to include Model Error as a component of variance, correctly reduces station noise variance through network averaging. For 2009 DPRK test - Commonly used standard error 'rejects' H0 even with better scaling slope ({beta} = 1, Selby et al.), improved standard error 'fails to rejects' H0.

  8. WILLIAM C. LOUIS Los Alamos National Laboratory M.S. H846 Los

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    WILLIAM C. LOUIS Los Alamos National Laboratory M.S. H846 Los Alamos, NM 87545 louis@lanl.gov, 505/667-6723 EMPLOYMENT Technical Staff Member, Los Alamos National Laboratory, P-Division, 1987-present Assistant Professor, Princeton University, 1981-1987 Research Associate, Rutherford Laboratory, 1978-1981 POSITIONS LANL Program Manager for Nuclear Physics, 2004-2009 Co-Spokesperson of the BooNE Neutrino Experiment at Fermilab, 1998-2007 Spokesperson of the LSND Neutrino Experiment at Los Alamos,

  9. ATOMIC ENERGY CO&lbiISSION ms AlAMos. NEW MMICO

    Office of Legacy Management (LM)

    ATOMIC ENERGY CO&lbiISSION ms AlAMos. NEW MMICO 87544 JUL 5 1973 H. C. Donnelly, Manager Albuquerque Operations UNNEEDED REAL PROPERTY - LOS AL-4MOS AREA OFFICE In our annual review of real property holdings at the Los Alamos Area Office we have identified four individual tracts within the community which are unneeded. An envi~konmental radioactivity survey has been conducted on each of the areas and no radiation or radiocontamination observations were encountered which are of radiological

  10. Market Research Survey of Commercial Off-The-Shelf (COTS) Portable MS Systems for IAEA Safeguards Applications

    SciTech Connect (OSTI)

    Hart, Garret L.; Hager, George J.; Barinaga, Charles J.; Duckworth, Douglas C.

    2013-02-01

    This report summarizes the results for the market research survey of mass spectrometers that are deemed pertinent to International Atomic Energy Agency (IAEA) needs and strategic objectives. The focus of the report is on MS instruments that represent currently available (or soon to be) commercial off-the shelf (COTS) technology and weigh less than 400 pounds. A compilation of all available MS instruments (36 COTS and 2 R&D) is presented, along with pertinent information regarding each instrument.

  11. Issues Pertaining to the Termination of Ms. Donna Busche, a Contractor Employee at the Waste Treatment Plant Project

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    REVIEW Issues Pertaining to the Termination of Ms. Donna Busche, a Contractor Employee at the Waste Treatment Plant Project DOE/IG-0923 October 2014 U.S. Department of Energy Office of Inspector General Office of Audits and Inspections Department of Energy Washington, DC 20585 October 17, 2014 MEMORANDUM FOR THE SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: Special Review of "Issues Pertaining to the Termination of Ms. Donna Busche, a Contractor Employee at the Waste

  12. Recent advances in the speciation of selenium in petroleum refinery and municipal waste using ICP-MS and ICP-MS coupled with liquid chromatography

    SciTech Connect (OSTI)

    Roehl, R.

    1996-09-01

    An analytical scheme for the speciation of selenium in petroleum refinery waste waters reported at the 1994 Winter Plasma Conference included methods for the determination of total, dissolved, particulate and volatile selenium, as well as for the separate quantitation of dissolved selenite, selenate and selenocyanate. Several of those methods have been improved significantly. Determinations of total, dissolved, and particulate selenium are based on the ICP-MS quantitation of the {sup 82}Se isotope in waste water samples or sample fractions digested with hydrogen peroxide and nitric acid. These analyses now include corrections for potential isobaric interferences are minimized by monitoring the signals for Br{sup +} and m/z 79 and SO{sub 3}H{sup +} at m/z 83 and correcting the apparent {sup 82}Se{sup +} signal using appropriate equations with correction factors derived from the analysis of calibration solutions containing sulfate and bromide. The correction factors used in those equations relate ionic species of different composition to each other (e.g., Br{sup +} and HBr{sup +}). To help ensure that the relative rate of formation of those ions in the plasma is not sample dependent, high concentrations of sodium and other easily ionized elements are removed from the sample digests by cation-exchange.

  13. Characterization of CMPO and its radiolysis products by Direct Infusion ESI-MS

    SciTech Connect (OSTI)

    G. S. Groenewold; G. Elias; B. J. Mincher; S. P. Mezyk

    2012-09-01

    Direct infusion electrospray ionization-mass spectrometry (ESI-MS) approaches were developed for rapid identification of octyl,phenyl,(N,N-(diisobutyl)carbamoylmethyl) phosphine oxide (CMPO) and impurity compounds formed during alpha and gamma irradiation experiments. CMPO is an aggressive Lewis base, and produces extremely abundant metal complex ions in the ESI-MS analysis that make identification of low abundance compounds that are less nucleophilic challenging. Radiolysis products were identified using several approaches including restricting ion trapping so as to exclude the abundant natiated CMPO ions, extraction of acidic products using aqueous NaOH, and extraction of basic products using HNO3. These approaches generated protonated, natiated and deprotonated species derived from CMPO degradation products formed via radiolytic cleavages of several different bonds. Cleavages of the amide and methylene-phosphoryl bonds appear to be favored by both forms of irradiation, while alpha irradiation also appears to induce cleavage of the methylene-carbonyl bond. The degradation products observed are formed from recombination of the initially formed radicals with hydrogen, methyl, isopropyl and hydroxyl radicals that are derived either from CMPO, or the dodecane solvent.

  14. Reduction of Solvent Effect in Reverse Phase Gradient Elution LC-ICP-MS

    SciTech Connect (OSTI)

    Patrick Allen Sullivan

    2005-12-17

    Quantification in liquid chromatography (LC) is becoming very important as more researchers are using LC, not as an analytical tool itself, but as a sample introduction system for other analytical instruments. The ability of LC instrumentation to quickly separate a wide variety of compounds makes it ideal for analysis of complex mixtures. For elemental speciation, LC is joined with inductively coupled plasma mass spectrometry (ICP-MS) to separate and detect metal-containing, organic compounds in complex mixtures, such as biological samples. Often, the solvent gradients required to perform complex separations will cause matrix effects within the plasma. This limits the sensitivity of the ICP-MS and the quantification methods available for use in such analyses. Traditionally, isotope dilution has been the method of choice for LC-ICP-MS quantification. The use of naturally abundant isotopes of a single element in quantification corrects for most of the effects that LC solvent gradients produce within the plasma. However, not all elements of interest in speciation studies have multiple naturally occurring isotopes; and polyatomic interferences for a given isotope can develop within the plasma, depending on the solvent matrix. This is the case for reverse phase LC separations, where increasing amounts of organic solvent are required. For such separations, an alternative to isotope dilution for quantification would be is needed. To this end, a new method was developed using the Apex-Q desolvation system (ESI, Omaha, NE) to couple LC instrumentation with an ICP-MS device. The desolvation power of the system allowed greater concentrations of methanol to be introduced to the plasma prior to destabilization than with direct methanol injection into the plasma. Studies were performed, using simulated and actual linear methanol gradients, to find analyte-internal standard (AIS) pairs whose ratio remains consistent (deviations {+-} 10%) over methanol concentration ranges of 5

  15. Elemental speciation in biomolecules by LC-ICP-MS with magnetic sector and collision cell instruments

    SciTech Connect (OSTI)

    Wang, Jin

    1999-11-08

    A methodology that can monitor and identify inorganic elements in biological and environmental systems was developed. Size exclusion chromatography (SEC) separates biomolecules, which are then nebulized by a microconcentric nebulizer. The resulting aerosol is desolved and introduced into either a high resolution ICP-MS device or a quadrupole device with a collision cell. Because of the high sensitivity and spectral resolution and high sample introduction efficiency, many unusual or difficult elements, such as Cr, Se, Cd and U, can be observed at ambient levels bound to proteins in human serum. These measurements are made in only a few minutes without preliminary isolation and preconcentration steps. Serum samples can be titrated with spikes of various elements to determine which proteins bind a given metal and oxidation state. Experiments concerning the effects of breaking disulfide linkages and denaturation on metal binding in proteins were also investigated. Elemental distribution in liver extract was also obtained.

  16. Studies on the content of heavy metals in Aries River using ICP-MS

    SciTech Connect (OSTI)

    Voica, Cezara Kovacs, Melinda Feher, Ioana

    2013-11-13

    Among the industrial branches, the mining industry has always been an important source of environmental pollution, both aesthetically and chemically. Through this paper results of ICP-MS characterization of Aries River Basin are reported. Mining activities from this area has resulted in contamination of environment and its surrounding biota. This is clearly evidenced in analyzed water samples, especially from Baia de Aries site where increased amount of trace elements as Cr, Zn, As, Se, Cd, Pb and U were founded. Also in this site greater amount of rare earth elements was evidenced also. Through monitoring of Aries River from other non-mining area it was observed that the quantitative content of heavy metals was below the maximum permissible levels which made us to conclude that the water table wasn't seriously affected (which possibly might be attributed to the cessation of mining activities in this area from a few years ago)

  17. Pentaerythritol Tetranitrate (PETN) Surveillance by HPLC-MS: Instrumental Parameters Development

    SciTech Connect (OSTI)

    Harvey, C A; Meissner, R

    2005-11-04

    Surveillance of PETN Homologs in the stockpile here at LLNL is currently carried out by high performance liquid chromatography (HPLC) with ultra violet (UV) detection. Identification of unknown chromatographic peaks with this detection scheme is severely limited. The design agency is aware of the limitations of this methodology and ordered this study to develop instrumental parameters for the use of a currently owned mass spectrometer (MS) as the detection system. The resulting procedure would be a ''drop-in'' replacement for the current surveillance method (ERD04-524). The addition of quadrupole mass spectrometry provides qualitative identification of PETN and its homologs (Petrin, DiPEHN, TriPEON, and TetraPEDN) using a LLNL generated database, while providing mass clues to the identity of unknown chromatographic peaks.

  18. Mass Spectrometry Data from the Biological MS Data and Software Distribution Center

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Anderson, Gordon

    The mass spectrometry capabilities at Pacific Northwest National Laboratory (PNNL) are primarily applied to biological research, with an emphasis on proteomics and metabolomics. Many of these cutting-edge mass spectrometry capabilities and bioinformatics methods are housed in the Department of Energy's Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility operated by PNNL. These capabilities have been developed and acquired through cooperation between the EMSL national scientific user program and PNNL programmatic research. At the website of the Biological MS Data and Software Distribution Center, the following resources are made available: PNNL-developed software tools and source code, PNNL-generated raw data and processed results, links to publications that used the data and results available on this site, and tutorials and user manuals. [taken from http://omics.pnl.gov/

  19. Application of Printed Circuit Board Technology to FT-ICR MS Analyzer Cell Construction and Prototyping

    SciTech Connect (OSTI)

    Leach, Franklin E.; Norheim, Randolph V.; Anderson, Gordon A.; Pasa-Tolic, Ljiljana

    2014-12-01

    Although Fourier transform ion cyclotron resonance mass spectrometry (FT-ICRMS) remains themass spectrometry platform that provides the highest levels of performance for mass accuracy and resolving power, there is room for improvement in analyzer cell design as the ideal quadrupolar trapping potential has yet to be generated for a broadband MS experiment. To this end, analyzer cell designs have improved since the field’s inception, yet few research groups participate in this area because of the high cost of instrumentation efforts. As a step towards reducing this barrier to participation and allowing for more designs to be physically tested, we introduce a method of FT-ICR analyzer cell prototyping utilizing printed circuit boards at modest vacuum conditions. This method allows for inexpensive devices to be readily fabricated and tested over short intervals and should open the field to laboratories lacking or unable to access high performance machine shop facilities because of the required financial investment.

  20. Profiling of Adrenocorticotropic Hormone and Arginine Vasopressin in Human Pituitary Gland and Tumor Thin Tissue Sections using Droplet-Based Liquid Microjunction Surface Sampling-HPLC-ESI-MS/MS

    SciTech Connect (OSTI)

    Kertesz, Vilmos; Van Berkel, Gary J; Calligaris, David; Feldman, Daniel R; Changelian, Armen; Laws, Edward R; Santagata, Sandro; Agar, Nathalie YR

    2015-01-01

    Described here are the results from the profiling of the proteins arginine vasopressin (AVP) and adrenocorticotropic hormone (ACTH) from normal human pituitary gland and pituitary adenoma tissue sections using a fully automated droplet-based liquid microjunction surface sampling-HPLC-ESI-MS/MS system for spatially resolved sampling, HPLC separation, and mass spectral detection. Excellent correlation was found between the protein distribution data obtained with this droplet-based liquid microjunction surface sampling-HPLC-ESI-MS/MS system and those data obtained with matrix assisted laser desorption ionization (MALDI) chemical imaging analyses of serial sections of the same tissue. The protein distributions correlated with the visible anatomic pattern of the pituitary gland. AVP was most abundant in the posterior pituitary gland region (neurohypophysis) and ATCH was dominant in the anterior pituitary gland region (adenohypophysis). The relative amounts of AVP and ACTH sampled from a series of ACTH secreting and non-secreting pituitary adenomas correlated with histopathological evaluation. ACTH was readily detected at significantly higher levels in regions of ACTH secreting adenomas and in normal anterior adenohypophysis compared to non-secreting adenoma and neurohypophysis. AVP was mostly detected in normal neurohypophysis as anticipated. This work demonstrates that a fully automated droplet-based liquid microjunction surface sampling system coupled to HPLC-ESI-MS/MS can be readily used for spatially resolved sampling, separation, detection, and semi-quantitation of physiologically-relevant peptide and protein hormones, such as AVP and ACTH, directly from human tissue. In addition, the relative simplicity, rapidity and specificity of the current methodology support the potential of this basic technology with further advancement for assisting surgical decision-making.

  1. A comparison of the y-Radiolysis of TODGA and T(EH)DGA using UHPLC-ESI-MS analysis

    SciTech Connect (OSTI)

    Zarzana, Christopher A.; Groenewold, Gary S.; Mincher, Bruce J.; Mezyk, Stephen P.; Wilden, Andreas; Schmidt, Holger; Modolo, Giuseppe; Wishart, James F.; Cook, Andrew R.

    2015-04-27

    Solutions of the diglycolamide extractants TODGA and T(EH)DGA in n-dodecane were subjected to?- irradiation in the presence and absence of an acidic aqueous phase. These solutions were then analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants neat and in contact with respect to the acidity of the contacted aqueous phase, as well as to identify radiolysis products. The presence or absence of an acidic aqueous phase was shown to have no influence on the measured decay rates, nor did the side-chain have an influence. A number of radiolysis products were identified, consistent with those previously identified for these two compounds using GC-MS. The identity of these radiolysis products suggests that the bonds most vulnerable to radiolytic attack are those in the dyglycolamide center of these molecules, and not on the side-chains.The agreement of these results with previous work using GC-MS indicates supports the further use of UHPLC-ESI-MS as a tool for studying diglycolamide extractant systems.

  2. A comparison of the y-Radiolysis of TODGA and T(EH)DGA using UHPLC-ESI-MS analysis

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zarzana, Christopher A.; Groenewold, Gary S.; Mincher, Bruce J.; Mezyk, Stephen P.; Wilden, Andreas; Schmidt, Holger; Modolo, Giuseppe; Wishart, James F.; Cook, Andrew R.

    2015-04-27

    Solutions of the diglycolamide extractants TODGA and T(EH)DGA in n-dodecane were subjected to γ- irradiation in the presence and absence of an acidic aqueous phase. These solutions were then analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants neat and in contact with respect to the acidity of the contacted aqueous phase, as well as to identify radiolysis products. The presence or absence of an acidic aqueous phase was shown to have no influence on the measured decay rates, nor did the side-chain have an influence. A number of radiolysis products were identified, consistent with thosemore » previously identified for these two compounds using GC-MS. The identity of these radiolysis products suggests that the bonds most vulnerable to radiolytic attack are those in the dyglycolamide center of these molecules, and not on the side-chains.  The agreement of these results with previous work using GC-MS indicates supports the further use of UHPLC-ESI-MS as a tool for studying diglycolamide extractant systems.« less

  3. A comparison of the y-Radiolysis of TODGA and T(EH)DGA using UHPLC-ESI-MS analysis

    SciTech Connect (OSTI)

    Zarzana, Christopher A.; Groenewold, Gary S.; Mincher, Bruce J.; Mezyk, Stephen P.; Wilden, Andreas; Schmidt, Holger; Modolo, Giuseppe; Wishart, James F.; Cook, Andrew R.

    2015-04-27

    Solutions of the diglycolamide extractants TODGA and T(EH)DGA in n-dodecane were subjected to γ- irradiation in the presence and absence of an acidic aqueous phase. These solutions were then analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants neat and in contact with respect to the acidity of the contacted aqueous phase, as well as to identify radiolysis products. The presence or absence of an acidic aqueous phase was shown to have no influence on the measured decay rates, nor did the side-chain have an influence. A number of radiolysis products were identified, consistent with those previously identified for these two compounds using GC-MS. The identity of these radiolysis products suggests that the bonds most vulnerable to radiolytic attack are those in the dyglycolamide center of these molecules, and not on the side-chains.  The agreement of these results with previous work using GC-MS indicates supports the further use of UHPLC-ESI-MS as a tool for studying diglycolamide extractant systems.

  4. Characterization of Fatty Acids in Crenarchaeota by GC-MS and NMR

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hamerly, Timothy; Tripet, Brian; Wurch, Louie; Hettich, Robert L.; Podar, Mircea; Bothner, Brian; Copié, Valérie

    2015-01-01

    Lipids composed of condensed isoprenyl units connected to glycerol backbones by ether linkages are a distinguishing feature of Archaea. Data suggesting that fatty acids with linear hydrocarbon chains are present in some Archaea have been available for decades. However, lack of genomic and biochemical evidence for the metabolic machinery required to synthesize and degrade fatty acids has left the field unclear on this potentially significant biochemical aspect. Because lipids are energy currency and cell signaling molecules, their presence in Archaea is significant for understanding archaeal biology. A recent large-scale bioinformatics analysis reignited the debate as to the importance ofmore » fatty acids in Archaea by presenting genetic evidence for the presence of enzymes required for anabolic and catabolic fatty acid metabolism across the archaeal domain. Here, we present direct biochemical evidence from gas chromatography-mass spectrometry (GC-MS) and nuclear magnetic resonance (NMR) spectroscopy for the presence of fatty acids in two members of the Crenarchaeota, Sulfolobus solfataricus and Ignicoccus hospitalis . This is the first report providing biochemical data for the existence of fatty acids in these Crenarchaeota, opening new discussions on energy balance and the potential for the discovery of new thermostable enzymes for industry.« less

  5. Surface Cleaning Techniques: Ultra-Trace ICP-MS Sample Preparation and Assay of HDPE

    SciTech Connect (OSTI)

    Overman, Nicole R.; Hoppe, Eric W.; Addleman, Raymond S.

    2013-06-01

    The world’s most sensitive radiation detection and assay systems depend upon ultra-low background (ULB) materials to reduce unwanted radiological backgrounds. Herein, we evaluate methods to clean HDPE, a material of interest to ULB systems and the means to provide rapid assay of surface and bulk contamination. ULB level material and ultra-trace level detection of actinide elements is difficult to attain, due to the introduction of contamination from sample preparation equipment such as pipette tips, sample vials, forceps, etc. and airborne particulate. To date, literature available on the cleaning of such polymeric materials and equipment for ULB applications and ultra-trace analyses is limited. For these reasons, a study has been performed to identify an effective way to remove surface contamination from polymers in an effort to provide improved instrumental detection limits. Inductively Coupled Plasma Mass Spectroscopy (ICP-MS) was utilized to assess the effectiveness of a variety of leachate solutions for removal of inorganic uranium and thorium surface contamination from polymers, specifically high density polyethylene (HDPE). HDPE leaching procedures were tested to optimize contaminant removal of thorium and uranium. Calibration curves for thorium and uranium ranged from 15 ppq (fg/mL) to 1 ppt (pg/mL). Detection limits were calculated at 6 ppq for uranium and 7 ppq for thorium. Results showed the most effective leaching reagent to be clean 6 M nitric acid for 72 hour exposures. Contamination levels for uranium and thorium found in the leachate solutions were significant for ultralow level radiation detection applications.

  6. Characterization of Two Different Clay Materials by Thermogravimetry (TG), Differential Scanning Calorimetry (DSC), Dilatometry (DIL) and Mass Spectrometry (MS) - 12215

    SciTech Connect (OSTI)

    Post, Ekkehard; Henderson, Jack B.

    2012-07-01

    An illitic clay containing higher amounts of organic materials was investigated by dilatometry, thermogravimetry and differential scanning calorimetric. The evolved gases were studied during simultaneous TG-DSC (STA) and dilatometer measurements with simultaneous mass spectrometry in inert gas and oxidizing atmosphere. The dilatometer results were compared with the STA-MS results which confirmed and explained the reactions found during heating of the clay, like dehydration, dehydroxylation, shrinkage, sintering, quartz phase transition, combustion or pyrolysis of organics and the solid state reactions forming meta-kaolinite and mullite. The high amount of organic material effects in inert gas atmosphere most probably a reduction of the oxides which leads to a higher mass loss than in oxidizing atmosphere. Due to this reduction an additional CO{sub 2} emission at around 1000 deg. C was detected which did not occur in oxidizing atmosphere. Furthermore TG-MS results of a clay containing alkali nitrates show that during heating, in addition to water and CO{sub 2}, NO and NO{sub 2} are also evolved, leading to additional mass loss steps. These types of clays showed water loss starting around 100 deg. C or even earlier. This relative small mass loss affects only less shrinkage during the expansion of the sample. The dehydroxylation and the high crystalline quartz content result in considerable shrinkage and expansion of the clay. During the usual solid state reaction where the clay structure collapses, the remaining material finally shrinks down to a so-called clinker. With the help of MS the TG steps can be better interpreted as the evolved gases are identified. With the help of the MS it is possible to distinguish between CO{sub 2} and water (carbonate decomposition, oxidation of organics or dehydration/dehydroxylation). The MS also clearly shows that mass number 44 is found during the TG step of the illitic clay at about 900 deg. C in inert gas, which was interpreted

  7. Project Final Report: Ubiquitous Computing and Monitoring System (UCoMS) for Discovery and Management of Energy Resources

    SciTech Connect (OSTI)

    Tzeng, Nian-Feng; White, Christopher D.; Moreman, Douglas

    2012-07-14

    The UCoMS research cluster has spearheaded three research areas since August 2004, including wireless and sensor networks, Grid computing, and petroleum applications. The primary goals of UCoMS research are three-fold: (1) creating new knowledge to push forward the technology forefronts on pertinent research on the computing and monitoring aspects of energy resource management, (2) developing and disseminating software codes and toolkits for the research community and the public, and (3) establishing system prototypes and testbeds for evaluating innovative techniques and methods. Substantial progress and diverse accomplishment have been made by research investigators in their respective areas of expertise cooperatively on such topics as sensors and sensor networks, wireless communication and systems, computational Grids, particularly relevant to petroleum applications.

  8. Ms. Elizabeth Withers, EIS Document Manager U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA)

    National Nuclear Security Administration (NNSA)

    August 14, 2002 Ms. Elizabeth Withers, EIS Document Manager U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA) Office of Los Alamos Site Operations (OLASO) 528 35 th Street Los Alamos, NM 87544 Re: Comments regarding the scope of the Environmental Impact Statement (EIS) for the proposed Chemistry and Metallurgy Research (CMR) Building Replacement (CMRR) Project (CMRRP) at Los Alamos National Laboratory (LANL) (the "CMRRP EIS") Dear Elizabeth - I won't be

  9. Generation, characterization and in vivo biological activity of two distinct monoclonal anti-PEG IgMs

    SciTech Connect (OSTI)

    Hashimoto, Yosuke; Shimizu, Taro; Mima, Yu; Abu Lila, Amr S.; Ishida, Tatsuhiro; Kiwada, Hiroshi

    2014-05-15

    PEGylation, the attachment of polyethylene glycol (PEG) to nanocarriers and proteins, is a widely accepted approach to improving the in vivo efficacy of the non-PEGylated products. However, both PEGylated liposomes and PEGylated proteins reportedly trigger the production of specific antibodies, mainly IgM, against the PEG moiety, which possibly leads to a reduction in safety and therapeutic efficacy of the PEGylated products. In the present study, two monoclonal anti-PEG IgMs — HIK-M09 via immunization with an intravenous injection of PEGylated liposomes (SLs) and HIK-M11 via immunization with a subcutaneous administration of PEGylated ovalbumin (PEG-OVA) were successfully generated. The generated IgMs showed efficient reactivity to mPEG{sub 2000} conjugated to 1,2-distearoyl-sn-glycero-3-phospho-ethanolamine (DSPE), PEGylated liposome (SL) and PEG-OVA. It appears that HIK-M09 recognizes ethoxy (OCH{sub 2}CH{sub 2}) repeat units along with a terminal motif of PEG, while HIK-M11 recognizes only ethoxy repeat units of PEG. Such unique properties allow HIK-M09 to bind with dense PEG. In addition, their impact on the in vivo clearance of the PEGylated products was investigated. It was found that the generated ant-PEG IgMs induced a clearance of SL as they were intravenously administered with SL. Interestingly, the HIK-M11, generated by PEG-OVA, induced the clearance of both SL and PEG-OVA, while the HIK-M09, generated by SL, induced the clearance of SL only. We here revealed that the presence of serum anti-PEG IgM and the subsequent binding of anti-PEG IgM to the PEGylated products are not necessarily related to the enhanced clearance of the products. It appears that subsequent complement activation following anti-PEG IgM binding is the most important step in dictating the in vivo fate of PEGylated products. This study may have implications for the design, development and clinical application of PEGylated products and therapeutics. - Highlights: • Two monoclonal

  10. Benchmarking the New RESRAD-OFFSITE Source Term Model with DUST-MS and GoldSim - 13377

    SciTech Connect (OSTI)

    Cheng, J.J.; Kamboj, S.; Gnanapragasam, E.; Yu, C.

    2013-07-01

    RESRAD-OFFSITE is a computer code developed by Argonne National Laboratory under the sponsorship of U.S. Department of Energy (DOE) and U.S. Nuclear Regulatory Commission (NRC). It is designed on the basis of RESRAD (onsite) code, a computer code designated by DOE and NRC for evaluating soil-contaminated sites for compliance with human health protection requirements pertaining to license termination or environmental remediation. RESRAD-OFFSITE has enhanced capabilities of modeling radionuclide transport to offsite locations and calculating potential radiation exposure to offsite receptors. Recently, a new source term model was incorporated into RESRAD-OFFSITE to enhance its capability further. This new source term model allows simulation of radionuclide releases from different waste forms, in addition to the soil sources originally considered in RESRAD (onsite) and RESRAD-OFFSITE codes. With this new source term model, a variety of applications can be achieved by using RESRAD-OFFSITE, including but not limited to, assessing the performance of radioactive waste disposal facilities. This paper presents the comparison of radionuclide release rates calculated by the new source term model of RESRAD-OFFSITE versus those calculated by DUST-MS and GoldSim, respectively. The focus of comparison is on the release rates of radionuclides from the bottom of the contaminated zone that was assumed to contain radioactive source materials buried in soil. The transport of released contaminants outside of the primary contaminated zone is beyond the scope of this paper. Overall, the agreement between the RESRAD-OFFSITE results and the DUST-MS and GoldSim results is fairly good, with all three codes predicting identical or similar radionuclide release profiles over time. Numerical dispersion in the DUST-MS and GoldSim results was identified as potentially contributing to the disagreement in the release rates. In general, greater discrepancy in the release rates was found for short

  11. Measurement of elemental speciation by liquid chromatography -- inductively coupled plasma mass spectrometry (LC-ICP-MS) with the direct injection nebulizer (DIN)

    SciTech Connect (OSTI)

    Shum, S.

    1993-05-01

    This thesis is divided into 4 parts: elemental speciation, speciation of mercury and lead compounds by microbore column LC-ICP-MS with direct injection nebulization, spatially resolved measurements of size and velocity distributions of aerosol droplets from a direct injection nebulizer, and elemental speciation by anion exchange and size exclusion chromatography with detection by ICP-MS with direct injection nebulization. Tabs, figs, refs.

  12. NanoLC-FT-ICR MS improves proteome coverage attainable for ~3000 laser microdissected breast carcinoma cells

    SciTech Connect (OSTI)

    Umar, Arzu; Luider, Theo N.; Foekens, J. A.; Pasa-Tolic, Liljiana

    2007-01-29

    Genomics and proteomics assays hold great promise for unrevealing molecular events that underlie human disease. Essential to this quest is the ability to effectively analyze clinical samples, but this task is considerably complicated by tissue heterogeneity. Laser capture microdissection (LCM) can be used to selectively isolate targeted cell populations (such as tumor cells) from their native tissue environment. However, the small number of cells that are typically procured by LCM severely limits the proteome coverage and biomarker discovery potential achievable by conventional proteomics platforms. Herein, we report on the use of a nano liquid chromatography-Fourier transform ion clyclotron resonance mass spectrometry (nLC-FTICR MS) platform for analyzing protein digests of approximately 3,000 LCM-derived tumor cells from breast carcinoma tissue, which corresponds to approximately 300 ng of total protein. A total of 2,836 peptides were identified by matching LC-MS data to accurate mass and time (AMT) tag databases that were previously established for the human mammary epithelium and several breast cancer cell lines. The peptide identifications correspond to 1,139 unique proteins confidently identified with 2 or more peptides. Based on categorization by Gene Ontology, identified proteins appear to cover a wide variety of biological functions and cellular compartments. This work demonstrates that a substantial number of proteins can be identified from a limited number of cells using the AMT tag approach and opens a door for high throughput in-depth proteomics analysis of clinical samples.

  13. Study of organic compounds evolved during the co-firing of coal and refuse derived fuel using TG/MS

    SciTech Connect (OSTI)

    Puroshothama, Shobha; Lu, R.; Yang, Xiaodong

    1996-10-01

    The evolution of organic compounds during the combustion of carbonaceous fuel coupled with solid waste disposal and limited landfill space has been a cause for concern. Co-firing high sulfur coal with refuse derived fuel seems an attractive alternative technique to tackle the dual problem of controlling SO{sub x} emissions as well as those of the chlorinated organic toxins. The TG serves to emulate the conditions of the fluidized bed combustor and the MS serves as the detector for evolved gases. This versatile combination is used to study the decomposition pathway as well as predict the conditions at which various compounds are formed and may serve as a means of reducing the formation of these chlorinated organic compounds.

  14. Identification and decay of the 0.48 ms 13/2{sup +} isomer in {sup 181}Hg

    SciTech Connect (OSTI)

    Andreyev, A. N.; Antalic, S.; Saro, S.; Ackermann, D.; Comas, V. F.; Heinz, S.; Heredia, J. A.; Hessberger, F. P.; Khuyagbaatar, J.; Kojouharov, I.; Kindler, B.; Lommel, B.; Mann, R.; Cocolios, T. E.; Elseviers, J.; Huyse, M.; Duppen, P. Van; Venhart, M.; Franchoo, S.; Hofmann, S.

    2009-10-15

    A new isomer with a half-life of 0.48(2) ms was identified in the nuclide {sup 181}Hg, which was produced in the complete fusion reaction {sup 40}Ca+{sup 144}Sm{yields}{sup 184}Pb* at the velocity filter SHIP (GSI, Darmstadt). The isomeric state was tentatively assigned a spin-parity of 13/2{sup +}. We propose that this isomer de-excites by a yet unobserved low-energy, strongly converted {gamma}-ray transition, followed by a newly identified cascade composed of a 90.3 keV M1 and a 71.4 keV E2 {gamma}-ray transition.

  15. A Comparison of the ?-Radiolysis of TODGA and T(EH)DGA Using UHPLC-ESI-MS Analysis

    SciTech Connect (OSTI)

    Zarzana, Chris A.; Groenewold, Gary S.; Mincher, Bruce J.; Mezyk, Stephen P.; Modolo, Giuseppe; Wildens, Andreas; Schmidt, Holgar; Wishart, James F.; Cook, Andrew R.

    2015-03-01

    Solutions of TODGA and T(EH)DGA in n-dodecane were subjected to ?-irradiation in the presence and absence of an aqueous nitric acid phase and analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants, as well as to identify radiolysis products. The DGA concentrations decreased exponentially with increasing dose, and the measured degradation rate constants were uninfluenced by the presence or absence of an acidic aqueous phase, or by chemical variations in the alkyl side-chains. The DGA degradation was attributed to reactions of the dodecane radical cation, whose kinetics were measured for TODGA using picosecond electron pulse radiolysis to be k2 = (9.72 ± 1.10) × 109 M-1 s-1. The identified radiolysis products suggest that the bonds most vulnerable to radiolytic attack are those in the diglycolamide center of these molecules and not on the side-chains.

  16. Absolute calibration of Kodak Biomax-MS film response to x rays in the 1.5- to 8-keV energy range

    SciTech Connect (OSTI)

    Marshall, F. J.; Knauer, J. P.; Anderson, D.; Schmitt, B. L

    2006-10-15

    The absolute response of Kodak Biomax-MS film to x rays in the range from 1.5- to 8-keV has been measured using a laboratory electron-beam generated x-ray source. The measurements were taken at specific line energies by using Bragg diffraction to produce monochromatic beams of x rays. Multiple exposures were taken on Biomax MS film up to levels exceeding optical densities of 2 as measured by a microdensitometer. The absolute beam intensity for each exposure was measured with a Si(Li) detector. Additional response measurements were taken with Kodak direct exposure film (DEF) so as to compare the results of this technique to previously published calibrations. The Biomax-MS results have been fitted to a semiempirical mathematical model (Knauer et al., these proceedings). Users of the model can infer absolute fluences from observed exposure levels at either interpolated or extrapolated energies. To summarize the results: Biomax MS has comparable sensitivity to DEF film below 3 keV but has reduced sensitivity above 3 keV ({approx}50%). The lower exposure results from thinner emulsion layers, designed for use with phosphor screens. The ease with which Biomax-MS can be used in place of DEF (same format film, same developing process, and comparable sensitivity) makes it a good replacement.

  17. A comparison of the γ-radiolysis of TODGA and T(EH)DGA using UHPLC-ESI-MS analysis

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chris A. Zarzana; Cook, Andrew R.; Groenewold, Gary S.; Mincher, Bruce J.; Mezyk, Stephen P.; Wilden, Andreas; Schmidt, Holger; Modolo, Giuseppe; Wishart, James F.

    2015-03-11

    Solutions of TODGA and T(EH)DGA in n-dodecane were subjected to γ-irradiation in the presence and absence of an aqueous nitric acid phase and analyzed using UHPLC-ESI-MS to determine the rates of radiolytic decay of the two extractants, as well as to identify radiolysis products. The DGA concentrations decreased exponentially with increasing dose, and the measured degradation rate constants were uninfluenced by the presence or absence of an acidic aqueous phase, or by chemical variations in the alkyl side-chains. The DGA degradation was attributed to reactions of the dodecane radical cation, whose kinetics were measured for TODGA using picosecond electron pulsemore » radiolysis to be k2 = (9.72 ± 1.10) × 109 M–1 s–1. Furthermore, the identified radiolysis products suggest that the bonds most vulnerable to radiolytic attack are those in the diglycolamide center of these molecules and not on the side-chains.« less

  18. Validation predictions of a 13 m/s cross-wind fire for Fuego and the University of Waterloo dataset.

    SciTech Connect (OSTI)

    Brown, Alexander L.; Evans, Gregory Herbert; Gill, Walter; Jarboe, Daniel T.

    2008-03-01

    Detailed herein are the results of a validation comparison. The experiment involved a 2 meter diameter liquid pool of Jet-A fuel in a 13 m/s crosswind. The scenario included a large cylindrical blocking object just down-stream of the fire. It also included seven smaller calorimeters and extensive instrumentation. The experiments were simulated with Fuego. The model included several conduction regions to model the response of the calorimeters, the floor, and the large cylindrical blocking object. A blind comparison was used to compare the simulation predictions with the experimental data. The more upstream data compared very well with the simulation predictions. The more downstream data did not compare very well with the simulation predictions. Further investigation suggests that features omitted from the original model contributed to the discrepancies. Observations are made with respect to the scenario that are aimed at helping an analyst approach a comparable problem in a way that may help improve the potential for quantitative accuracy.

  19. Distributed computing strategies for processing of FT-ICR MS imaging datasets for continuous mode data visualization

    SciTech Connect (OSTI)

    Smith, Donald F.; Schulz, Carl; Konijnenburg, Marco; Kilic, Mehmet; Heeren, Ronald M.

    2015-03-01

    High-resolution Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry imaging enables the spatial mapping and identification of biomolecules from complex surfaces. The need for long time-domain transients, and thus large raw file sizes, results in a large amount of raw data (“big data”) that must be processed efficiently and rapidly. This can be compounded by largearea imaging and/or high spatial resolution imaging. For FT-ICR, data processing and data reduction must not compromise the high mass resolution afforded by the mass spectrometer. The continuous mode “Mosaic Datacube” approach allows high mass resolution visualization (0.001 Da) of mass spectrometry imaging data, but requires additional processing as compared to featurebased processing. We describe the use of distributed computing for processing of FT-ICR MS imaging datasets with generation of continuous mode Mosaic Datacubes for high mass resolution visualization. An eight-fold improvement in processing time is demonstrated using a Dutch nationally available cloud service.

  20. Is LA-12152-MS

    Office of Scientific and Technical Information (OSTI)

    the ABAOUS subroutine UMAT 12 5. The MOR test specimen configuration corresponding to ... There are various ways to handle the test data, but, from the test data, a Weibull ...

  1. Ms. Margaret Owen, Chair

    Office of Environmental Management (EM)

    Community input regarding deactivation and decommissioning (D&D) activities is gathered ... (RODs) for cleanup. Information on the status of RODs and opportunities for input ...

  2. Ms. Margaret Owen, Chair

    Office of Environmental Management (EM)

    recommending that the Department of Energy (DOE) consider using Federal transport and/or disposition funds to relocate designated cultural/historic property items to outside organizations, when the organizations are unable to fund the relocation themselves. As you summarized in your letter, it is the current policy of DOE and Office of Environmental Management (EM) to donate property with cultural or historic value when that property no longer has reuse value to the Government, has been deemed

  3. LA-11224-MS

    Office of Scientific and Technical Information (OSTI)

    ... conduction example. 42 ****** 3-d test mode1(1,4*4*4)***... node 08 001 003 011 013 ... 0.0e+00 res mass0.000000 kg vap mass-.212595e-09 kq energy 33.7959 mj net discharge ...

  4. LA-23336-MS

    Office of Scientific and Technical Information (OSTI)

    do not BCSSBT- ily state or renect those o f the ... It is a white solid with densities that may vary between 4.3-5.2 gcm3 depending on the method of preparation and ...

  5. Ms. Margaret Owen, Chair

    Office of Environmental Management (EM)

    facility in 2006 when the West Valley Demonstration Project (WVDP) began shipping waste drums to NNSS for disposal. While initial shipments were made by truck, this method was...

  6. LA-23336-MS

    Office of Scientific and Technical Information (OSTI)

    ... potential fouling of the heat exchanger are undesirable. The relative resistance to mass transfer of 24 metals and ... Ser. 4, Technology a d Engineering, Vol. 1, R. Hurst and S. ...

  7. LA-10256-MS

    Office of Legacy Management (LM)

    Radiological Survey and Evaluation of the Fallout Area fom the Trinity Test: Chupadera ... Radiological Survey and Evaluation of the Fallout Area from the Trinity Test: Chupadera ...

  8. MS FORTRAN Extended Libraries

    Energy Science and Technology Software Center (OSTI)

    1986-09-01

    DISPPAK is a set of routines for use with Microsoft FORTRAN programs that allows the flexible display of information on the screen of an IBM PC in both text and graphics modes. The text mode routines allow the cursor to be placed at an arbitrary point on the screen and text to be displayed at the cursor location, making it possible to create menus and other structured displays. A routine to set the color ofmore » the characters that these routines display is also provided. A set of line drawing routines is included for use with IBM''s Color Graphics Adapter or an equivalent board (such as the Enhanced Graphics Adapter in CGA emulation mode). These routines support both pixel coordinates and a user-specified set of real number coordinates. SUBPAK is a function library which allows Microsoft FORTRAN programs to calculate random numbers, issue calls to the operating system, read individual characters from the keyboard, perform Boolean and shift operations, and communicate with the I/O ports of the IBM PC. In addition, peek and poke routines, a routine that returns the address of any variable, and routines that can access the system time and date are included.« less

  9. ms.dvi

    Office of Scientific and Technical Information (OSTI)

    to difference images in the context of the Nearby Supernova Factory supernova search. ... feature, but it requires a detailed modeling of the PDF of each feature, including ...

  10. Ms. Maggie Owen, Chair

    Office of Environmental Management (EM)

    Myron Iwanski, Anderson County Mayor Mark Watson, Oak Ridge city Mayor Ron Woody, Roan ... FORS David Adler, EM-92 Melyssa Noe, EM-95 Joy Sager, EM-91 Susan M.Cange, Acting Manager ...

  11. Is LA-12152-MS

    Office of Scientific and Technical Information (OSTI)

    ... its introduction at the Los Alamos National Laboratory, the widely used ABAQUS code has become a production code for many users who deal with stress analysis and heat transfer. ...

  12. Absolute Calibration of Kodak Biomax-MS Film Response to X Rays in the 1.5- to 8-keV Energy Range

    SciTech Connect (OSTI)

    Marshall, F.J.; Knauer, J.P.; Anderson, D.; Schmitt, B.L.

    2006-09-28

    The absolute response of Kodak Biomax-MS film to x rays in the range from 1.5- to 8-keV has been measured using a laboratory e-beam generated x-ray source. The measurements were taken at specific line energies by using Bragg diffraction to produce monochromatic beams of x rays. Multiple exposures were taken on Biomax MS film up to levels exceeding optical densities of 2 as measured by a microdensitometer. The absolute beam intensity for each exposure was measured with a Si(Li) detector. Additional response measurements were taken with Kodak direct exposure film (DEF) so as to compare the results of this technique to previously published calibrations.

  13. Enhancing Biological Analyses with Three Dimensional Field Asymmetric Ion Mobility, Low Field Drift Time Ion Mobility and Mass Spectrometry (FAIMS/IMS-MS) Separations

    SciTech Connect (OSTI)

    Zhang, Xing; Ibrahim, Yehia M.; Chen, Tsung-Chi; Kyle, Jennifer E.; Norheim, Randolph V.; Monroe, Matthew E.; Smith, Richard D.; Baker, Erin Shammel

    2015-06-30

    We report the first evaluation of a platform coupling a high speed field asymmetric ion mobility spectrometry microchip (FAIMS) with drift tube ion mobility and mass spectrometry (IMS-MS). The FAIMS/IMS-MS platform was used to analyze biological samples and simultaneously acquire multidimensional information of detected features from the measured FAIMS compensation fields and IMS drift times, while also obtaining accurate ion masses. These separations thereby increase the overall separation power, resulting increased information content, and provide more complete characterization of more complex samples. The separation conditions were optimized for sensitivity and resolving power by the selection of gas compositions and pressures in the FAIMS and IMS separation stages. The resulting performance provided three dimensional separations, benefitting both broad complex mixture studies and targeted analyses by e.g. improving isomeric separations and allowing detection of species obscured by chemical noise and other interfering peaks.

  14. Fluorescence spectra and biological activity of aerosolized bacillus spores and MS2 bacteriophage exposed to ozone at different relative humidities in a rotating drum

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ratnesar-Shumate, Shanna; Pan, Yong-Le; Hill, Steven C.; Kinahan, Sean; Corson, Elizabeth; Eshbaugh, Jonathan; Santarpia, Joshua L.

    2015-10-14

    Biological aerosols (bioaerosols) released into the environment may undergo physical and chemical transformations when exposed to atmospheric constituents such as solar irradiation, reactive oxygenated species, ozone, free radicals, water vapor and pollutants. Aging experiments were performed in a rotating drum chamber subjecting bioaerosols, Bacillus thuringiensis Al Hakam (BtAH) spores and MS2 bacteriophages to ozone at 0 and 150 ppb, and relative humidities (RH) at 10%, 50%, and 80+%. Fluorescence spectra and intensities of the aerosols as a function of time in the reaction chamber were measured with a single particle fluorescence spectrometer (SPFS) and an Ultra-Violet Aerodynamic Particle Sizer® Spectrometermore » (UV-APS). Losses in biological activity were measured by culture and quantitative polymerase chain reaction (q-PCR) assay. For both types of aerosols the largest change in fluorescence emission was between 280 and 400 nm when excited at 263 nm followed by fluorescence emission between 380 and 700 nm when excited at 351 nm. The fluorescence for both BtAH and MS2 were observed to decrease significantly at high ozone concentration and high RH when excited at 263 nm excitation. The decreases in 263 nm excited fluorescence are indicative of hydrolysis and oxidation of tryptophan in the aerosols. Fluorescence measured with the UV-APS (355-nm excitation) increased with time for both BtAH and MS2 aerosols. A two log loss of MS2 bacteriophage infectivity was observed in the presence of ozone at ~50% and 80% RH when measured by culture and normalized for physical losses by q-PCR. Viability of BtAH spores after exposure could not be measured due to the loss of genomic material during experiments, suggesting degradation of extracelluar DNA attributable to oxidation. The results of these studies indicate that the physical and biological properties of bioaerosols change significantly after exposure to ozone and water vapor.« less

  15. Fluorescence spectra and biological activity of aerosolized bacillus spores and MS2 bacteriophage exposed to ozone at different relative humidities in a rotating drum

    SciTech Connect (OSTI)

    Ratnesar-Shumate, Shanna; Pan, Yong-Le; Hill, Steven C.; Kinahan, Sean; Corson, Elizabeth; Eshbaugh, Jonathan; Santarpia, Joshua L.

    2015-10-14

    Biological aerosols (bioaerosols) released into the environment may undergo physical and chemical transformations when exposed to atmospheric constituents such as solar irradiation, reactive oxygenated species, ozone, free radicals, water vapor and pollutants. Aging experiments were performed in a rotating drum chamber subjecting bioaerosols, Bacillus thuringiensis Al Hakam (BtAH) spores and MS2 bacteriophages to ozone at 0 and 150 ppb, and relative humidities (RH) at 10%, 50%, and 80+%. Fluorescence spectra and intensities of the aerosols as a function of time in the reaction chamber were measured with a single particle fluorescence spectrometer (SPFS) and an Ultra-Violet Aerodynamic Particle Sizer® Spectrometer (UV-APS). Losses in biological activity were measured by culture and quantitative polymerase chain reaction (q-PCR) assay. For both types of aerosols the largest change in fluorescence emission was between 280 and 400 nm when excited at 263 nm followed by fluorescence emission between 380 and 700 nm when excited at 351 nm. The fluorescence for both BtAH and MS2 were observed to decrease significantly at high ozone concentration and high RH when excited at 263 nm excitation. The decreases in 263 nm excited fluorescence are indicative of hydrolysis and oxidation of tryptophan in the aerosols. Fluorescence measured with the UV-APS (355-nm excitation) increased with time for both BtAH and MS2 aerosols. A two log loss of MS2 bacteriophage infectivity was observed in the presence of ozone at ~50% and 80% RH when measured by culture and normalized for physical losses by q-PCR. Viability of BtAH spores after exposure could not be measured due to the loss of genomic material during experiments, suggesting degradation of extracelluar DNA attributable to oxidation. The results of these studies indicate that the physical and biological properties of bioaerosols change significantly after exposure to ozone and water vapor.

  16. Quantification of Semi-Volatile Oxygenated Components of Pyrolysis Bio-Oil by Gas Chromatography/Mass Spectrometry (GC/MS): Laboratory Analytical Procedure (LAP)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Quantification of Semi-Volatile Oxygenated Components of Pyrolysis Bio-Oil by Gas Chromatography/Mass Spectrometry (GC/MS) Laboratory Analytical Procedure (LAP) Issue Date: March 2, 2016 Earl Christensen and Jack Ferrell National Renewable Energy Laboratory Mariefel V. Olarte and Asanga B. Padmaperuma Pacific Northwest National Laboratory Technical Report NREL/TP-5100-65889 March 2016 NREL is a national laboratory of the U.S. Department of Energy Office of Energy Efficiency & Renewable

  17. Subcellular-level resolution MALDI-MS imaging of maize leaf metabolites by MALDI-linear ion trap-Orbitrap mass spectrometer

    SciTech Connect (OSTI)

    Korte, Andrew R.; Yandeau-Nelson, Marna D.; Nikolau, Basil J.; Lee, Young Jin

    2015-01-25

    A significant limiting factor in achieving high spatial resolution for matrix-assisted laser desorption ionization-mass spectrometry (MALDI-MS) imaging is the size of the laser spot at the sample surface. We present modifications to the beam-delivery optics of a commercial MALDI-linear ion trap-Orbitrap instrument, incorporating an external Nd:YAG laser, beam-shaping optics, and an aspheric focusing lens, to reduce the minimum laser spot size from ~50 μm for the commercial configuration down to ~9 μm for the modified configuration. This improved system was applied for MALDI-MS imaging of cross sections of juvenile maize leaves at 5-μm spatial resolution using an oversampling method. There are a variety of different metabolites including amino acids, glycerolipids, and defense-related compounds were imaged at a spatial resolution well below the size of a single cell. Such images provide unprecedented insights into the metabolism associated with the different tissue types of the maize leaf, which is known to asymmetrically distribute the reactions of C4 photosynthesis among the mesophyll and bundle sheath cell types. The metabolite ion images correlate with the optical images that reveal the structures of the different tissues, and previously known and newly revealed asymmetric metabolic features are observed.

  18. The use of DRIFTS-MS and kinetic studies to determine the role of acetic acid in the palladium-catalyzed vapor-phase synthesis of vinyl acetate

    SciTech Connect (OSTI)

    Augustine, S.M.; Blitz, J.P. (Quantum Chemical Corp., Cincinnati, OH (United States))

    1993-07-01

    Supported palladium catalyzes the synthesis of vinyl acetate (VA) by oxyacetylation of ethylene. Alkali promoters increase activity and selectivity. The role of acetic acid (HOAc) in these processes is not well understood. Activation energy studies show that HOAc alters the catalyst site and lowers the reaction barrier to VA formation. After correction for this effect, the kinetics reveal that as a reagent HOAc is zero order. This is probably due to a strong adsorption of HOAc and Pd which forms the catalyst active phase. Detailed spectroscopic studies support this conclusion. The surface processes on a supported vinyl acetate catalyst were studied using a method which couples diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) with mass spectrometry (MS). The DRIFTS-MS technique combines the capability of selectively analyzing IR-active surface species with sensitive detection of transient reaction products. By comparing the catalyst with mixtures of palladium acetate powder physically dispersed in potassium chloride, it is determined that the active phase on the catalyst is a form of palladium acetate. Compound formation is consistent with the strong chemisorption of HOAc on Pd. Kinetic analysis of temperature-programmed reaction(TPRxn) data suggests that Pd metal or metal oxide adjacent to the active site is important in the reaction mechanism. 25 refs., 10 figs., 2 tabs.

  19. Subcellular-level resolution MALDI-MS imaging of maize leaf metabolites by MALDI-linear ion trap-Orbitrap mass spectrometer

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Korte, Andrew R.; Yandeau-Nelson, Marna D.; Nikolau, Basil J.; Lee, Young Jin

    2015-01-25

    A significant limiting factor in achieving high spatial resolution for matrix-assisted laser desorption ionization-mass spectrometry (MALDI-MS) imaging is the size of the laser spot at the sample surface. We present modifications to the beam-delivery optics of a commercial MALDI-linear ion trap-Orbitrap instrument, incorporating an external Nd:YAG laser, beam-shaping optics, and an aspheric focusing lens, to reduce the minimum laser spot size from ~50 μm for the commercial configuration down to ~9 μm for the modified configuration. This improved system was applied for MALDI-MS imaging of cross sections of juvenile maize leaves at 5-μm spatial resolution using an oversampling method. Theremore » are a variety of different metabolites including amino acids, glycerolipids, and defense-related compounds were imaged at a spatial resolution well below the size of a single cell. Such images provide unprecedented insights into the metabolism associated with the different tissue types of the maize leaf, which is known to asymmetrically distribute the reactions of C4 photosynthesis among the mesophyll and bundle sheath cell types. The metabolite ion images correlate with the optical images that reveal the structures of the different tissues, and previously known and newly revealed asymmetric metabolic features are observed.« less

  20. On the formation of carbonyl sulfide in the reduction of sulfur dioxide by carbon monoxide on lanthanum oxysulfide catalyst: A study by XPS and TPR/MS

    SciTech Connect (OSTI)

    Lau, N.T.; Fang, M. [Hong Kong Univ. of Science and Technology, Clear Water Bay (Hong Kong). Applied Technology Center] [Hong Kong Univ. of Science and Technology, Clear Water Bay (Hong Kong). Applied Technology Center

    1998-10-25

    Both the X-ray photoelectron spectroscopy (XPS) and temperature-programmed reaction, coupled with mass spectrometry (TPR/MS), are used to study the formation of carbonyl sulfide in the reduction of sulfur dioxide on lanthanum oxysulfide catalyst. It was found that the lattice sulfur of the oxysulfide is released and reacts with carbon monoxide to form carbonyl sulfide when the oxysulfide is heated. The oxysulfide is postulated to form sulfur vacancies at a temperature lower than that for the formation of carbonyl sulfide and atomic sulfur is released in the process. The atomic sulfur can either enter the gas phase and leave the oxysulfide catalyst or react with carbon monoxide to form carbonyl sulfide.

  1. The origin of the X-ray emission from the high-velocity cloud MS30.7–81.4–118

    SciTech Connect (OSTI)

    Henley, David B.; Shelton, Robin L.; Kwak, Kyujin E-mail: rls@physast.uga.edu

    2014-08-10

    A soft X-ray enhancement has recently been reported toward the high-velocity cloud MS30.7–81.4–118 (MS30.7), a constituent of the Magellanic Stream. In order to investigate the origin of this enhancement, we have analyzed two overlapping XMM-Newton observations of this cloud. We find that the X-ray enhancement is ∼6' or ∼100 pc across, and is concentrated to the north and west of the densest part of the cloud. We modeled the X-ray enhancement with a variety of spectral models. A single-temperature equilibrium plasma model yields a temperature of (3.69{sub −0.44}{sup +0.47})×10{sup 6} K and a 0.4-2.0 keV luminosity of 7.9 × 10{sup 33} erg s{sup –1}. However, this model underpredicts the on-enhancement emission around 1 keV, which may indicate the additional presence of hotter plasma (T ≳ 10{sup 7} K), or that recombination emission is important. We examined several different physical models for the origin of the X-ray enhancement. We find that turbulent mixing of cold cloud material with hot ambient material, compression or shock heating of a hot ambient medium, and charge exchange reactions between cloud atoms and ions in a hot ambient medium all lead to emission that is too faint. In addition, shock heating in a cool or warm medium leads to emission that is too soft (for reasonable cloud speeds). We find that magnetic reconnection could plausibly power the observed X-ray emission, but resistive magnetohydrodynamical simulations are needed to test this hypothesis. If magnetic reconnection is responsible for the X-ray enhancement, the observed spectral properties could potentially constrain the magnetic field in the vicinity of the Magellanic Stream.

  2. Untargeted metabolomics studies employing NMR and LC–MS reveal metabolic coupling between Nanoarcheum equitans and its archaeal host Ignicoccus hospitalis

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hamerly, Timothy; Tripet, Brian P.; Tigges, Michelle; Giannone, Richard J.; Wurch, Louie; Hettich, Robert L.; Podar, Mircea; Copié, Valerie; Bothner, Brian

    2014-11-05

    Interactions between species are the basis of microbial community formation and infectious diseases. Systems biology enables the construction of complex models describing such interactions, leading to a better understanding of disease states and communities. However, before interactions between complex organisms can be understood, metabolic and energetic implications of simpler real-world host-microbe systems must be worked out. To this effect, untargeted metabolomics experiments were conducted and integrated with proteomics data to characterize key molecular-level interactions between two hyperthermophilic microbial species, both of which have reduced genomes. Metabolic changes and transfer of metabolites between the archaea Ignicoccus hospitalis and Nanoarcheum equitans weremore » investigated using integrated LC–MS and NMR metabolomics. The study of such a system is challenging, as no genetic tools are available, growth in the laboratory is challenging, and mechanisms by which they interact are unknown. Together with information about relative enzyme levels obtained from shotgun proteomics, the metabolomics data provided useful insights into metabolic pathways and cellular networks of I. hospitalis that are impacted by the presence of N. equitans, including arginine, isoleucine, and CTP biosynthesis. On the organismal level, the data indicate that N. equitans exploits metabolites generated by I. hospitalis to satisfy its own metabolic needs. Lastly, this finding is based on N. equitans’s consumption of a significant fraction of the metabolite pool in I. hospitalis that cannot solely be attributed to increased biomass production for N. equitans. Combining LC–MS and NMR metabolomics datasets improved coverage of the metabolome and enhanced the identification and quantitation of cellular metabolites.« less

  3. Profiling of adrenocorticotropic hormone and arginine vasopressin in human pituitary gland and tumor thin tissue sections using droplet-based liquid-microjunction surface-sampling-HPLC–ESI-MS–MS

    SciTech Connect (OSTI)

    Kertesz, Vilmos; Calligaris, David; Feldman, Daniel R.; Changelian, Armen; Laws, Edward R.; Santagata, Sandro; Agar, Nathalie Y. R.; Van Berkel, Gary J.

    2015-06-18

    Described here are the results from the profiling of the proteins arginine vasopressin (AVP) and adrenocorticotropic hormone (ACTH) from normal human pituitary gland and pituitary adenoma tissue sections using a fully automated droplet-based liquid microjunction surface sampling-HPLC-ESI-MS/MS system for spatially resolved sampling, HPLC separation, and mass spectral detection. Excellent correlation was found between the protein distribution data obtained with this droplet-based liquid microjunction surface sampling-HPLC-ESI-MS/MS system and those data obtained with matrix assisted laser desorption ionization (MALDI) chemical imaging analyses of serial sections of the same tissue. The protein distributions correlated with the visible anatomic pattern of the pituitary gland. AVP was most abundant in the posterior pituitary gland region (neurohypophysis) and ATCH was dominant in the anterior pituitary gland region (adenohypophysis). The relative amounts of AVP and ACTH sampled from a series of ACTH secreting and non-secreting pituitary adenomas correlated with histopathological evaluation. ACTH was readily detected at significantly higher levels in regions of ACTH secreting adenomas and in normal anterior adenohypophysis compared to non-secreting adenoma and neurohypophysis. AVP was mostly detected in normal neurohypophysis as anticipated. This work demonstrates that a fully automated droplet-based liquid microjunction surface sampling system coupled to HPLC-ESI-MS/MS can be readily used for spatially resolved sampling, separation, detection, and semi-quantitation of physiologically-relevant peptide and protein hormones, such as AVP and ACTH, directly from human tissue. In addition, the relative simplicity, rapidity and specificity of the current methodology support the potential of this basic technology with further advancement for assisting surgical decision-making.

  4. Profiling of adrenocorticotropic hormone and arginine vasopressin in human pituitary gland and tumor thin tissue sections using droplet-based liquid-microjunction surface-sampling-HPLC–ESI-MS–MS

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kertesz, Vilmos; Calligaris, David; Feldman, Daniel R.; Changelian, Armen; Laws, Edward R.; Santagata, Sandro; Agar, Nathalie Y. R.; Van Berkel, Gary J.

    2015-06-18

    Described here are the results from the profiling of the proteins arginine vasopressin (AVP) and adrenocorticotropic hormone (ACTH) from normal human pituitary gland and pituitary adenoma tissue sections using a fully automated droplet-based liquid microjunction surface sampling-HPLC-ESI-MS/MS system for spatially resolved sampling, HPLC separation, and mass spectral detection. Excellent correlation was found between the protein distribution data obtained with this droplet-based liquid microjunction surface sampling-HPLC-ESI-MS/MS system and those data obtained with matrix assisted laser desorption ionization (MALDI) chemical imaging analyses of serial sections of the same tissue. The protein distributions correlated with the visible anatomic pattern of the pituitary gland.more » AVP was most abundant in the posterior pituitary gland region (neurohypophysis) and ATCH was dominant in the anterior pituitary gland region (adenohypophysis). The relative amounts of AVP and ACTH sampled from a series of ACTH secreting and non-secreting pituitary adenomas correlated with histopathological evaluation. ACTH was readily detected at significantly higher levels in regions of ACTH secreting adenomas and in normal anterior adenohypophysis compared to non-secreting adenoma and neurohypophysis. AVP was mostly detected in normal neurohypophysis as anticipated. This work demonstrates that a fully automated droplet-based liquid microjunction surface sampling system coupled to HPLC-ESI-MS/MS can be readily used for spatially resolved sampling, separation, detection, and semi-quantitation of physiologically-relevant peptide and protein hormones, such as AVP and ACTH, directly from human tissue. In addition, the relative simplicity, rapidity and specificity of the current methodology support the potential of this basic technology with further advancement for assisting surgical decision-making.« less

  5. A user's guide to the GoldSim/BLT-MS integrated software package:a low-level radioactive waste disposal performance assessment model.

    SciTech Connect (OSTI)

    Knowlton, Robert G.; Arnold, Bill Walter; Mattie, Patrick D.

    2007-03-01

    Sandia National Laboratories (Sandia), a U.S. Department of Energy National Laboratory, has over 30 years experience in the assessment of radioactive waste disposal and at the time of this publication is providing assistance internationally in a number of areas relevant to the safety assessment of radioactive waste disposal systems. In countries with small radioactive waste programs, international technology transfer program efforts are often hampered by small budgets, schedule constraints, and a lack of experienced personnel. In an effort to surmount these difficulties, Sandia has developed a system that utilizes a combination of commercially available software codes and existing legacy codes for probabilistic safety assessment modeling that facilitates the technology transfer and maximizes limited available funding. Numerous codes developed and endorsed by the United States Nuclear Regulatory Commission (NRC) and codes developed and maintained by United States Department of Energy are generally available to foreign countries after addressing import/export control and copyright requirements. From a programmatic view, it is easier to utilize existing codes than to develop new codes. From an economic perspective, it is not possible for most countries with small radioactive waste disposal programs to maintain complex software, which meets the rigors of both domestic regulatory requirements and international peer review. Therefore, revitalization of deterministic legacy codes, as well as an adaptation of contemporary deterministic codes, provides a credible and solid computational platform for constructing probabilistic safety assessment models. This document is a reference users guide for the GoldSim/BLT-MS integrated modeling software package developed as part of a cooperative technology transfer project between Sandia National Laboratories and the Institute of Nuclear Energy Research (INER) in Taiwan for the preliminary assessment of several candidate low

  6. Improved resolution of hydrocarbon structures and constitutional isomers in complex mixtures using Gas Chromatography-Vacuum Ultraviolet-Mass Spectrometry (GC-VUV-MS)

    SciTech Connect (OSTI)

    Aerosol Dynamics Inc; Aerodyne Research, Inc.,; Tofwerk AG, Thun; Isaacman, Gabriel; Wilson, Kevin R.; Chan, Arthur W. H.; Worton, David R.; Kimmel, Joel R.; Nah, Theodora; Hohaus, Thorsten; Gonin, Marc; Kroll, Jesse H.; Worsnop, Doug R.; Goldstein, Allen H.

    2011-09-13

    Understanding the composition of complex hydrocarbon mixtures is important for environmental studies in a variety of fields, but many prevalent compounds cannot be confidently identified using traditional gas chromatography-mass spectrometry (GC-MS) techniques. This work uses vacuum-ultraviolet (VUV) ionization to elucidate the structures of a traditionally"unresolved complex mixture" by separating components by GC retention time, tR, and mass-to-charge ratio, m/Q, which are used to determine carbon number, NC, and the number of rings and double bonds, NDBE. Constitutional isomers are resolved based on tR, enabling the most complete quantitative analysis to date of structural isomers in an environmentally-relevant hydrocarbon mixture. Unknown compounds are classified in this work by carbon number, degree of saturation, presence of rings, and degree of branching, providing structural constraints. The capabilities of this analysis are explored using diesel fuel, in which constitutional isomer distribution patterns are shown to be reproducible between carbon numbers and follow predictable rules. Nearly half of the aliphatic hydrocarbon mass is shown to be branched, suggesting branching is more important in diesel fuel than previously shown. The classification of unknown hydrocarbons and the resolution of constitutional isomers significantly improves resolution capabilities for any complex hydrocarbon mixture.

  7. Identification of volatile butyl rubber thermal-oxidative degradation products by cryofocusing gas chromatography/mass spectrometry (cryo-GC/MS).

    SciTech Connect (OSTI)

    Smith, Jonell Nicole; White, Michael Irvin; Bernstein, Robert; Hochrein, James Michael

    2013-02-01

    Chemical structure and physical properties of materials, such as polymers, can be altered as aging progresses, which may result in a material that is ineffective for its envisioned intent. Butyl rubber formulations, starting material, and additives were aged under thermal-oxidative conditions for up to 413 total days at up to 124 %C2%B0C. Samples included: two formulations developed at Kansas City Plant (KCP) (%236 and %2310), one commercially available formulation (%2321), Laxness bromobutyl 2030 starting material, and two additives (polyethylene AC-617 and Vanax MBM). The low-molecular weight volatile thermal-oxidative degradation products that collected in the headspace over the samples were preconcentrated, separated, and detected using cryofocusing gas chromatography mass spectrometry (cryo-GC/MS). The majority of identified degradation species were alkanes, alkenes, alcohols, ketones, and aldehydes. Observations for Butyl %2310 aged in an oxygen-18 enriched atmosphere (18O2) were used to verify when the source of oxygen in the applicable degradation products was from the gaseous environment rather than the polymeric mixture. For comparison purposes, Butyl %2310 was also aged under non-oxidative thermal conditions using an argon atmosphere.

  8. Gilbert_etal_MS_FIGS

    Office of Scientific and Technical Information (OSTI)

    nanoparticles Benjamin Gilbert* ,1 , Jordan E. Katz 1 , Jonathan D. Denlinger 2 , ... nanoparticles Benjamin Gilbert* ,1 , Jordan E. Katz 1 , Jonathan D. Denlinger 2 , ...

  9. ARM - Datastreams - irt200ms

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    KS (Extended) SGP E10 Browse Data Tyro, KS (Extended) retired SGP E11 Browse Data Byron, OK (Extended) SGP E12 Browse Data Pawhuska, OK (Extended) SGP E13 Browse Data Lamont, OK...

  10. Ms. Maria Galanti Site Coordinator

    Broader source: Energy.gov (indexed) [DOE]

    ... was overcome in the AEP coal yard that was northwest of ... Combustion of PCBs by incineration as approved under Section ... wastes and residuals under 40 CFR 761.79(g), ...

  11. PHYSOR 2014 Template MS Word

    Office of Scientific and Technical Information (OSTI)

    ... Section 3. Section 4 presents the results of the design search, including the fresh core reactivity, once-through and multi-batch performances, and the reactivity coeffi- cients. ...

  12. MS_07_Number_14.pdf

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mergedsounding VAP: Recent Enhancements David Troyan 1 , Michael Jensen 1 , David Turner 2 , Mark Miller 1 , Jennifer Delamere 3 , Eli Mlawer 3 , Gerald Mace 4 Author Affiliations ...

  13. LA-10733-MS UC-15

    Office of Scientific and Technical Information (OSTI)

    These corrections involve the solution of a rather simple differential equation, a process taught in all elementary courses on differential equations. The solution to this equation ...

  14. PHYSOR 2014 Template MS Word

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... blankets have lower enrichment with respect to the remainder central part of the fuel stack and consist of solid pellets in non IFBA fuel rods, and annular pellets in IFBA rods. ...

  15. Ms. Maria Galanti Site Coordinator

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Galanti: TRANSMITTAL OF Dl CONSTRUCTION COMPLETION REPORT FOR PHASES I AND II OF THE ... from M. Galanti to J. Bradbume, "Construction Completion Report for Phases I and II ...

  16. Ms. Maria Galanti Site Coordinator

    Broader source: Energy.gov (indexed) [DOE]

    Galanti: REVISED CONSTRUCTION COMPLETION REPORT FOR PHASE I OF THE REMOVAL OF THE X-633 ... is SUbmitting the enclosed revised Construction Completion Report for Phase I of the ...

  17. PHYSOR 2014 Template MS Word

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    1 / 21 AP1000 ® PWR REACTOR PHYSICS ANALYSIS WITH VERA-CS AND KENO-VI - PART II: POWER DISTRIBUTION F. Franceschini Westinghouse Electric Co. LLC, Cranberry Township, Pennsylvania, USA francef@westinghouse.com A. T. Godfrey, J. C. Gehin Oak Ridge National Laboratory godfreyat@ornl.gov ABSTRACT Westinghouse has applied the Core Simulator of the Virtual Environment for Reactor Ap- plications, VERA-CS, under development by the Consortium for Advanced Simulation of LWRs (CASL) to the core physics

  18. MS_08_15.pdf

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Jim Mather and Sally McFarlane, PNNL Eli Mlawer and Jennifer Delamere, AER, Inc. Mark Miller, Rutger University Dave Turner, University of Wisconsin Jay Mace, University of Utah...

  19. ARM - Instrument - ptr-ms

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Aerosols This instrument measures low concentrations of volatile organic compounds-important precursors in aerosol formation-in the atmosphere by positively ionizing the...

  20. PHYSOR 2014 Template MS Word

    Office of Scientific and Technical Information (OSTI)

    SIMULATION OF WATTS BAR INITIAL STARTUP TESTS WITH CONTINUOUS ENERGY MONTE CARLO METHODS A. T. Godfrey, J. C. Gehin, K. B. Bekar, C. Celik Oak Ridge National Laboratory Oak Ridge, ...

  1. A survey of Existing V&V, UQ and M&S Data and Knowledge Bases in Support of the Nuclear Energy - Knowledge base for Advanced Modeling and Simulation (NE-KAMS)

    SciTech Connect (OSTI)

    Hyung Lee; Rich Johnson, Ph.D.; Kimberlyn C. Moussesau

    2011-12-01

    The Nuclear Energy - Knowledge base for Advanced Modeling and Simulation (NE-KAMS) is being developed at the Idaho National Laboratory in conjunction with Bettis Laboratory, Sandia National Laboratories, Argonne National Laboratory, Oak Ridge National Laboratory, Utah State University and others. The objective of this consortium is to establish a comprehensive knowledge base to provide Verification and Validation (V&V) and Uncertainty Quantification (UQ) and other resources for advanced modeling and simulation (M&S) in nuclear reactor design and analysis. NE-KAMS will become a valuable resource for the nuclear industry, the national laboratories, the U.S. NRC and the public to help ensure the safe operation of existing and future nuclear reactors. A survey and evaluation of the state-of-the-art of existing V&V and M&S databases, including the Department of Energy and commercial databases, has been performed to ensure that the NE-KAMS effort will not be duplicating existing resources and capabilities and to assess the scope of the effort required to develop and implement NE-KAMS. The survey and evaluation have indeed highlighted the unique set of value-added functionality and services that NE-KAMS will provide to its users. Additionally, the survey has helped develop a better understanding of the architecture and functionality of these data and knowledge bases that can be used to leverage the development of NE-KAMS.

  2. Spectroscopic Studies of the Several Isomers of UO3

    SciTech Connect (OSTI)

    Sweet, Lucas E.; Reilly, Dallas D.; Abrecht, David G.; Buck, Edgar C.; Meier, David E.; Su, Yin-Fong; Brauer, Carolyn S.; Schwantes, Jon M.; Tonkyn, Russell G.; Szecsody, James E.; Blake, Thomas A.; Johnson, Timothy J.

    2013-09-26

    Uranium trioxide is known to adopt seven different structural forms. While these structural forms have been well characterized using x-ray or neutron diffraction techniques, little work has been done to characterize their spectroscopic properties, particularly of the pure phases. Since the structural isomers of UO3 all have similar thermodynamic stabilities and most tend to hydrolyze under open atmospheric conditions, mixtures of UO3 phases and the hydrolysis products are common. Much effort went into isolating pure phases of UO3. Utilizing x-ray diffraction as a sample identification check, UV/Vis/NIR spectroscopic signatures of α-UO3, β-UO3, γ-UO3 and UO2(OH)2 products were obtained. The spectra of the pure phases can now be used to characterize typical samples of UO3, which are often mixtures of isomers.

  3. Clay-sewage sludge co-pyrolysis. A TG-MS and Py-GC study on potential advantages afforded by the presence of clay in the pyrolysis of wastewater sewage sludge

    SciTech Connect (OSTI)

    Ischia, Marco; Maschio, Roberto Dal; Grigiante, Maurizio; Baratieri, Marco

    2011-01-15

    Wastewater sewage sludge was co-pyrolyzed with a well characterized clay sample, in order to evaluate possible advantages in the thermal disposal process of solid waste. Characterization of the co-pyrolysis process was carried out both by thermogravimetric-mass spectrometric (TG-MS) analysis, and by reactor tests, using a lab-scale batch reactor equipped with a gas chromatograph for analysis of the evolved gas phase (Py-GC). Due to the presence of clay, two main effects were observed in the instrumental characterization of the process. Firstly, the clay surface catalyzed the pyrolysis reaction of the sludge, and secondly, the release of water from the clay, at temperatures of approx. 450-500 deg. C, enhanced gasification of part of carbon residue of the organic component of sludge following pyrolysis. Moreover, the solid residue remaining after pyrolysis process, composed of the inorganic component of sludge blended with clay, is characterized by good features for possible disposal by vitrification, yielding a vitreous matrix that immobilizes the hazardous heavy metals present in the sludge.

  4. To: Ms. Dorothy Riehle, FOIA Officer,

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    request. Please advise. We will accept electronic copy. If mailed, please mail to: Don Dickson Government Training Inc. 5372 Sandhamn Place Longboat Key, Florida 34228 Respectfully...

  5. LA-8318-MS Informal Report I

    Office of Scientific and Technical Information (OSTI)

    ... D. (E-3) 2-75 QUANTITATION OF CELL FUSION BY TWENTY-ONE STRAINS OF NEWCASTLE DISEASE VIRUS USING FLOW MICROFLUOROMETRY. J. GEN. VIROL., V.41. P.27-36. 1978. CRAM, L. SCOTT (H-10) ...

  6. WSRC-MS-99-00210

    Office of Scientific and Technical Information (OSTI)

    included standard machining, gas-tungsten arc (GTA) welding, pinch welding, and casting. Each assembly is small enough to hold in two hands and weighs 44 pounds or less....

  7. Microsoft Word - benzyl-ms-Revisednoyellow.doc

    Office of Scientific and Technical Information (OSTI)

    ... Introduction The preparation and reactions of 1,2,4-(Me 3 C) 3 C 5 H 2 2 CeH, ... Cp' 2 CeH and Cp' 2 CeF are monomeric in the solid state and presumably in solution as well. ...

  8. LA-11873-MS The Forster, Dexter, and

    Office of Scientific and Technical Information (OSTI)

    ... This is a theoretical development of phonon energy transfer. It makes no engineering ... TN 37831 prices available from (61S)576-8401, FTS 616-8401 Available 10 the public from ...

  9. Microsoft Word - Fischer_MS.doc

    Office of Scientific and Technical Information (OSTI)

    ... The clock signal of the synchrotron triggers a fast electronic pulser, which launches pulses with a rise time of about 100ps into a waveguide structure. These pump pulses create ...

  10. LA-9252-MS UC-70a

    Office of Legacy Management (LM)

    ... Scientific Committee on the Effects of Atomic Radiation, "Sources and Effects of ... Gogolak, "In situ Ge(Li) and NaI(T1) Gamma-Ray Spectrometry," Health amSafety Laboratory ...

  11. METHOD FOR PREPARATION OF UO$sub 2$ PARTICLES

    DOE Patents [OSTI]

    Johnson, J.R.; Taylor, A.J.

    1959-09-22

    A method is described for the preparation of highdensity UO/sub 2/ particles within the size range of 40 to 100 microns. In accordance with the invention UO/sub 2/ particles are autoclaved with an aqueous solution of uranyl ions. The resulting crystals are reduced to UO/sub 2/ and the UO/sub 2/ is heated to at least 1000 deg C to effect densification. The resulting UO/sub 2/ particles are screened, and oversize particles are crushed and screened to recover the particles within the desired size range.

  12. Final Report: Manganese Redox Mediation of UO2 Stability and...

    Office of Scientific and Technical Information (OSTI)

    Meter Scale Dynamics Citation Details In-Document Search Title: Final Report: Manganese Redox Mediation of UO2 Stability and Uranium Fate in the Subsurface: Molecular and Meter ...

  13. Oxidative Dissolution of UO2 in a Simulated Groundwater Containing...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Oxidative Dissolution of UO2 in a Simulated ... Citation Details In-Document Search Title: Oxidative ... Publication Date: 2014-03-18 OSTI Identifier: 1124154 Report ...

  14. RECOMMENDATIONS FOR UO3 PLANT BIOASSAY

    SciTech Connect (OSTI)

    Carbaugh, Eugene H.

    2010-07-12

    Alternative urine bioassay programs are described for application with decontamination and decommissioning activities at the Hanford UO3 Plant. The alternatives are based on quarterly or monthly urine bioassay for recycled uranium, assuming multiple acute inhalation intakes of recycled uranium occurring over a year. The inhalations are assumed to be 5µm AMAD particles of 80% absorption type F and 20% absorption type M. Screening levels, expressed as daily uranium mass excretion rates in urine, and the actions associated with these levels are provided for both quarterly and monthly sampling frequencies.

  15. Optimal construction of theoretical spectra for MS/MS spectra identification

    SciTech Connect (OSTI)

    Fridman, Tamah; Protopopescu, Vladimir A; Hurst, Gregory {Greg} B; Borziak, Andrei; Gorin, Andrey A

    2005-01-01

    We derive the optimal number of peaks (defined as the minimum number that provides the required efficiency of spectra identification) in the theoretical spectra as a function of: (i) the experimental accuracy, , of the measured ratio m/z; (ii) experimental spectrum density; (iii) size of the database; (iv) number of peaks in the theoretical spectra; and (v) types of ions that the peaks represent. We show that if theoretical spectra are constructed including b and y ions alone, then for =0.5, which is typical for high throughput data, peptide chains of 8 amino acids or longer can be identified based on the positions of peaks alone, at a rate of false identification below 1%. To discriminate between shorter peptides, additional (e.g., intensity-inferred) information is necessary. We derive the dependence of the probability of false identification on the number of peaks in the theoretical spectra and on the types of ions that the peaks represent. Our results suggest that the class of mass spectrum identification problems for which more elaborate development of fragmentation rules (such as intensity model, etc.) is required, can be reduced to the problems that involve homologous peptides.

  16. Neutron and Nuclear Science To/MS: Distribution From/MS: Stephen...

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    I. LANSCE-NS Additional Duty Assignments ALARA Coordinator Ron Nelson Crane Coordinator ... E4. Curriculum: Qualified Crane Operator Training Requirements Curriculum 123 Name Z ...

  17. "FERC423",2007,1,195,"Alabama Power Co",3,"Barry","AL","C","application/vnd.ms-excel","Coal","BIT",45,"IM","SU","County Unknown",999,"MINA PRIBBENOW",289050,22.732,0.5,5.2,217.3

    U.S. Energy Information Administration (EIA) Indexed Site

    7,1,195,"Alabama Power Co",3,"Barry","AL","C","application/vnd.ms-excel","Coal","BIT",45,"IM","SU","County Unknown",999,"MINA PRIBBENOW",289050,22.732,0.5,5.2,217.3 "FERC423",2007,1,195,"Alabama Power Co",3,"Barry","AL","C","application/vnd.ms-excel","Coal","BIT",45,"IM","SU","County

  18. "application/vnd.ms-excel","AEGEAN BUNKERING USA LLC",2,510,"Residual Fuel, Over 1.00% Sulfur",1601,"CHARLESTON, SC","SOUTH CAROLINA",1,"TD","TRINIDAD AND TOBAGO",60,2.06,0,,,,,,

    U.S. Energy Information Administration (EIA) Indexed Site

    RPT_PERIOD","R_S_NAME","LINE_NUM","PROD_CODE","PROD_NAME","PORT_CODE","PORT_CITY","PORT_STATE","PORT_PADD","GCTRY_CODE","CNTRY_NAME","QUANTITY","SULFUR","APIGRAVITY","PCOMP_RNAM","PCOMP_SITEID","PCOMP_SNAM","PCOMP_STAT","STATE_NAME","PCOMP_PADD" "application/vnd.ms-excel","AEGEAN BUNKERING

  19. PREPARATION OF HIGH DENSITY UO$sub 2$

    DOE Patents [OSTI]

    Googin, J.M.

    1959-09-29

    A method is presented for the preparation of highdensity UO/sub 2/ from UF/sub 6/. In accordance with the invention, UF/sub 6/ is reacted with water and concentrated ammonium hydroxide is added to the resulting aqueous solution of UO/ sub 2/F/sub 2/. The resulting precipitate is calcined to U/sub 3/O/sub 8/ an d the U/sub 3/O/sub 8/ is reduced to UO/sub 2/ with a gaseous mixture comprised of carbon monoxide and carbon dioxide at a temperature of from 1600 to 1900 deg C.

  20. Fuel Performance Experiments on the Atomistic Level, Studying Fuel Through Engineered Single Crystal UO2

    SciTech Connect (OSTI)

    Burgett, Eric; Deo, Chaitanya; Phillpot, Simon

    2015-05-08

    Fuel Performance Experiments on the Atomistic Level, Studying Fuel Through Engineered Single Crystal UO2

  1. Simple but Stronger UO, Double but Weaker UNMe Bonds: The Tale Told by Cp2UO and Cp2UNR

    SciTech Connect (OSTI)

    LPCNO, CNRS-UPS-INSA, INSA Toulouse; Institut Charles Gerhardt, CNRS, Universite Montpellier; Laboratoire de Chimie et Physique Quantiques, CNRS, IRSAMC, Universite Paul Sabatier; Andersen, Richard; Barros, Noemi; Maynau, Daniel; Maron, Laurent; Eisenstein, Odile; Zi, Guofu; Andersen, Richard

    2007-06-27

    The free energies of reaction and the activation energies are calculated, with DFT (B3PW91) and small RECP (relativistic core potential) for uranium, for the reaction of Cp2UNMe and Cp2UO with MeCCMe and H3Si-Cl that yields the corresponding addition products. CAS(2,7) and DFT calculations on Cp2UO and Cp2UNMe give similar results, which validates the use of DFT calculations in these cases. The calculated results mirror the experimental reaction of [1,2,4-(CMe3)3C5H2]2UNMe with dimethylacetylene and [1,2,4-(CMe3)3C5H2]2UO with Me3SiCl. The net reactions are controlled by the change in free energy between the products and reactants, not by the activation energies, and therefore by the nature of the UO and UNMe bonds in the initial and final states. A NBO analysis indicates that the U-O interaction in Cp2UO is composed of a single U-O bond with three lone pairs of electrons localized on oxygen, leading to a polarized U-O fragment. In contrast, the U-NMe interaction in Cp2UNMe is composed of a and component and a lone pairof electrons localized on the nitrogen, resulting in a less polarized UNMe fragment, in accord with the lower electronegativity of NMe relative to O. The strongly polarized U(+)-O(-) bond is calculated to be about 70 kcal mol-1 stronger than the less polarized U=NMe bond.

  2. U(v) in metal uranates: A combined experimental and theoretical study of MgUO4, CrUO4, and FeUO4

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Guo, Xiaofeng; Tiferet, Eitan; Qi, Liang; Solomon, Jonathan M.; Lanzirotti, Antonio; Newville, Matthew; Engelhard, Mark H.; Kukkadapu, Ravi K.; Wu, Di; Ilton, Eugene S.; et al

    2016-02-02

    Although pentavalent uranium can exist in aqueous solution, its presence in the solid state is uncommon. Metal monouranates, MgUO4, CrUO4 and FeUO4 were synthesized for detailed structural and energetic investigations. Structural characteristics of these uranates used powder X-ray diffraction, synchrotron X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and 57Fe-Mossbauer spectroscopy. Enthalpies of formation were measured by high temperature oxide melt solution calorimetry. Density functional theory (DFT) calculations provided both structural and energetic information. The measured structural and thermodynamic properties show good consistency with those predicted from DFT. The presence of U5+ has been solidly confirmed in CrUO4 and FeUO4, which aremore » thermodynamically stable compounds, and the origin and stability of U5+ in the system was elaborated by DFT. Lastly, the structural and thermodynamic behaviour of U5+ elucidated in this work is relevant to fundamental actinide redox chemistry and to applications in the nuclear industry and radioactive waste disposal.« less

  3. Unveiling the Behavior of UO2 Under Extreme Physical Conditions...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Such understanding, as the interplay between UO2 and its zirconium cladding at the atomic scale, will allow researchers to design, test and deploy "accident-tolerant fuels" that do ...

  4. AVLIS modified direct denitration: UO{sub 3} powder evaluation

    SciTech Connect (OSTI)

    Slagle, O.D.; Davis, N.C.; Parchen, L.J.

    1994-02-01

    The evaluation study demonstrated that AVLIS-enriched uranium converted to UO{sub 3} can be used to prepare UO{sub 3} pellets having densities in the range required for commercial power reactor fuel. Specifically, the program has demonstrated that MDD (Modified Direct Denitration)-derived UO{sub 2} powders can be reduced to sinterable UO{sub 2} powder using reduction techniques that allow control of the final powder characteristics; the resulting UO{sub 2} powders can be processed/sintered using standard powder preparation and pellet fabrication techniques to yield pellets with densities greater than 96% TD; pellet microstructures appear similar to those of power reactor fuel, and because of the high final pellet densities, it is expected that they would remain stable during in-reactor operation; the results of the present study confirm the results of a similar study carried out in 1982 (Davis and Griffin 1992). The laboratory processes were selected on the basis that they could be scaled up to standard commercial fuel processing. However, larger scale testing may be required to establish techniques compatible with commercial fuel fabrication techniques.

  5. Synthesis and sintering of UN-UO2 fuel composites

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jaques, Brian J.; Watkins, Jennifer; Croteau, Joseph R.; Alanko, Gordon A.; Tyburska-Puschel, Beata; Meyer, Mitch; Xu, Peng; Lahoda, Edward J.; Butt, Darryl P.

    2015-06-17

    In this study, the design and development of an economical, accident tolerant fuel (ATF) for use in the current light water reactor (LWR) fleet is highly desirable for the future of nuclear power. Uranium mononitride has been identified as an alternative fuel with higher uranium density and thermal conductivity when compared to the benchmark, UO2, which could also provide significant economic benefits. However, UN by itself reacts with water at reactor operating temperatures. In order to reduce its reactivity, the addition of UO2 to UN has been suggested. In order to avoid carbon impurities, UN was synthesized from elemental uraniummore » using a hydride-dehydride-nitride thermal synthesis route prior to mixing with up to 10 wt% UO2 in a planetary ball mill. UN and UN – UO2 composite pellets were sintered in Ar – (0–1 at%) N2 to study the effects of nitrogen concentration on the evolved phases and microstructure. UN and UN-UO2 composite pellets were also sintered in Ar – 100 ppm N2 to assess the effects of temperature (1700–2000 °C) on the final grain morphology and phase concentration.« less

  6. PUREX/UO{sub 3} deactivation project management plan

    SciTech Connect (OSTI)

    Washenfelder, D.J.

    1993-12-01

    From 1955 through 1990, the Plutonium-Uranium Extraction Plant (PUREX) provided the United States Department of Energy Hanford Site with nuclear fuel reprocessing capability. It operated in sequence with the Uranium Trioxide (UO{sub 3}) Plant, which converted the PUREX liquid uranium nitrate product to solid UO{sub 3} powder. Final UO{sub 3} Plant operation ended in 1993. In December 1992, planning was initiated for the deactivation of PUREX and UO{sub 3} Plant. The objective of deactivation planning was to identify the activities needed to establish a passively safe, environmentally secure configuration at both plants, and ensure that the configuration could be retained during the post-deactivation period. The PUREX/UO{sub 3} Deactivation Project management plan represents completion of the planning efforts. It presents the deactivation approach to be used for the two plants, and the supporting technical, cost, and schedule baselines. Deactivation activities concentrate on removal, reduction, and stabilization of the radioactive and chemical materials remaining at the plants, and the shutdown of the utilities and effluents. When deactivation is completed, the two plants will be left unoccupied and locked, pending eventual decontamination and decommissioning. Deactivation is expected to cost $233.8 million, require 5 years to complete, and yield $36 million in annual surveillance and maintenance cost savings.

  7. Thermodynamic studies of studtite thermal decomposition pathways via amorphous intermediates UO3, U2O7, and UO4

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Guo, Xiaofeng; Wu, Di; Xu, Hongwu; Burns, Peter C.; Navrotsky, Alexandra

    2016-06-08

    The thermal decomposition of studtite (UO2)O2(H2O)2·2H2O results in a series of intermediate X-ray amorphous materials with general composition UO3+x (x = 0, 0.5, 1). As an extension of a structural study on U2O7, this work provides detailed calorimetric data on these amorphous oxygen-rich materials since their energetics and thermal stability are unknown. These were characterized in situ by thermogravimetry, and mass spectrometry. Ex situ X-ray diffraction and infrared spectroscopy characterized their chemical bonding and local structures. This detailed characterization formed the basis for obtaining formation enthalpies by high temperature oxide melt solution calorimetry. The thermodynamic data demonstrate the metastability ofmore » the amorphous UO3+x materials, and explain their irreversible and spontaneous reactions to generate oxygen and form metaschoepite. Thus, formation of studtite in the nuclear fuel cycle, followed by heat treatment, can produce metastable amorphous UO3+x materials that pose the risk of significant O2 gas. Quantitative knowledge of the energy landscape of amorphous UO3+x was provided for stability analysis and assessment of conditions for decomposition.« less

  8. Modelling oxygen self-diffusion in UO2 under pressure

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Cooper, Michael William D.; Grimes, R. W.; Fitzpatrick, M. E.; Chroneos, A.

    2015-10-22

    Access to values for oxygen self-diffusion over a range of temperatures and pressures in UO2 is important to nuclear fuel applications. Here, elastic and expansivity data are used in the framework of a thermodynamic model, the cBΩ model, to derive the oxygen self-diffusion coefficient in UO2 over a range of pressures (0–10 GPa) and temperatures (300–1900 K). Furthermore, the significant reduction in oxygen self-diffusion as a function of increasing hydrostatic pressure, and the associated increase in activation energy, is identified.

  9. METHOD FOR PREPARATION OF SPHERICAL UO$sub 4$

    DOE Patents [OSTI]

    Gregory, J.F. Jr.; Levey, R.P. Jr.

    1962-06-01

    A method is given for continuously precipitating ura nium peroxide in the form of spherical particles. Seed crystals are formed in a first reaction zone by introducing an acidified aqueous uranyl nitrate solution and an aqueous hydrogen peroxide solution at a ratio of 5 to 20 per cent of the stoichiometric amount required for complete precipitation. After a mean residence time of 2 to 5 minutes in the first reaction zone, the resulting mixture is introduced into a second reaction zone, together with a large excess of hydrogen peroxide solution. The resulting UO4 is rapidly separated from the mother liquor after an over-all residence time of 5 to 11 minutes. The first reaction is maintained at a temperature of 85 to 90 deg C and the second zone above 50 deg C. Additional reaction zones may be employed for further crystal growth. The UO/sub 4/ is converted to U/sub 3/O/sub 8/ or UO/sub 2/ by heating in air or hydrogen atmosphere. This method is particularly useful for the preparation of spherical UO/sub 2/ particles 10 to 25 microns in diameter. (AEC)

  10. Thermal Reactions of Uranium Metal, UO2, U3O8, UF4, and UO2F2 with NF3 to Produce UF6

    SciTech Connect (OSTI)

    McNamara, Bruce K.; Scheele, Randall D.; Kozelisky, Anne E.; Edwards, Matthew K.

    2009-11-01

    he objective of this paper is to demonstrate that NF3 fluorinates uranium metal, UO2, UF4, UO3, U3O8, and UO2F22H2O to produce the volatile UF6 at temperatures between 100 and 500?C. Thermogravimetric reaction profiles are described that reflect changes in the uranium oxidation state and discrete chemical speciation. Differences in the onset temperatures for each system indicate that NF3-substrate interactions are important for the temperature at which NF3 reacts: U metal > UO3 > UO2 > UO2F2 > UF4 and in fact may indicate different fluorination mechanisms for these various substrates. These studies demonstrate that NF3 is a potential replacement fluorinating agent in the existing nuclear fuel cycle and in oft-proposed actinide volatility reprocessing.

  11. Density Functional Theory Calculations of Mass Transport in UO2

    SciTech Connect (OSTI)

    Andersson, Anders D.; Dorado, Boris; Uberuaga, Blas P.; Stanek, Christopher R.

    2012-06-26

    In this talk we present results of density functional theory (DFT) calculations of U, O and fission gas diffusion in UO{sub 2}. These processes all impact nuclear fuel performance. For example, the formation and retention of fission gas bubbles induce fuel swelling, which leads to mechanical interaction with the clad thereby increasing the probability for clad breach. Alternatively, fission gas can be released from the fuel to the plenum, which increases the pressure on the clad walls and decreases the gap thermal conductivity. The evolution of fuel microstructure features is strongly coupled to diffusion of U vacancies. Since both U and fission gas transport rates vary strongly with the O stoichiometry, it is also important to understand O diffusion. In order to better understand bulk Xe behavior in UO{sub 2{+-}x} we first calculate the relevant activation energies using DFT techniques. By analyzing a combination of Xe solution thermodynamics, migration barriers and the interaction of dissolved Xe atoms with U, we demonstrate that Xe diffusion predominantly occurs via a vacancy-mediated mechanism. Since Xe transport is closely related to diffusion of U vacancies, we have also studied the activation energy for this process. In order to explain the low value of 2.4 eV found for U migration from independent damage experiments (not thermal equilibrium) the presence of vacancy clusters must be included in the analysis. Next we investigate species transport on the (111) UO{sub 2} surface, which is motivated by the formation of small voids partially filled with fission gas atoms (bubbles) in UO{sub 2} under irradiation. Surface diffusion could be the rate-limiting step for diffusion of such bubbles, which is an alternative mechanism for mass transport in these materials. As expected, the activation energy for surface diffusion is significantly lower than for bulk transport. These results are further discussed in terms of engineering-scale fission gas release models

  12. U-190: Microsoft Security Bulletin MS12-037- Critical

    Broader source: Energy.gov [DOE]

    This security update resolves one publicly disclosed and twelve privately reported vulnerabilities in Internet Explorer.

  13. Questions? Contact Ms. Debbie Cutler at cutlerd@osti.gov.

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and open websites from around the globe. Using translation tools, WWE allows users to enter searches in their native language and find results across other languages. While WWE...

  14. Prepared Statement for Ms. Patricia K. Vincent-Collawn Chairman...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    PNM Resources is the holding company for two utilities- PNM ... of a million customers in New Mexico and Texas. ... such as rooftop solar and microturbines, plug-in ...

  15. Ms. Judy Clayton, Chair Paducah Citizens Advisory Board EHI Consultant...

    Office of Environmental Management (EM)

    The Federal Acquisition Regulation (FAR) provides the total of the basic and option period of a contract for services shall not exceed 5 years, unless approved in accordance with ...

  16. Climate Mag_27JUN2013_ms07022013.indd

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ability to process and store carbon. 19 PartnersCollaborators Our partners include the United States Geological Survey, Michigan State University, the University of New Mexico,...

  17. Forrest County, MS Geothermal Project--Final Report

    SciTech Connect (OSTI)

    Proctor, Corey

    2014-03-13

    The Forrest County Geothermal Energy Project consists of replacing the existing air cooled chiller with geothermal water to water chillers for energy savings at the Forrest County Multi-Purpose Center. The project will also replace DX/gas rooftop and DX split system heat pump equipment with geothermal units for the Forrest County Jail. Each of the aforementioned projects consists of approximately 400 tons of cooling. The project also includes between 600 and 800 geothermal closed-loop wells. Building controls will be updated as well on both sites.

  18. revised MS A5-ROR text+figures

    Office of Scientific and Technical Information (OSTI)

    Transcriptional Regulation of Apolipoprotein A5 Gene Expression by the Nuclear Receptor ... In the present study, we identified the orphan nuclear receptor ROR as a regulator of ...

  19. Climate Mag_27JUN2013_ms07022013.indd

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    CLIMATE AND IMPACT RESEARCH at Los Alamos National Laboratory Climate Research and National Security Los Alamos National Laboratory is truly a national security science laboratory, tackling some of the world's most challenging science and engineering issues. We are interested in the potential future impacts of climate change on global security, such as the coastal e ects of sea level rise, increased number of extreme storms, and the consequences of extensive regional tree mortality. Gaining a

  20. Magnetic moment of {sup 43m}S

    SciTech Connect (OSTI)

    Daugas, J. M.; Gaudefroy, L.; Meot, V.; Morel, P.; Rosse, B.; Hass, M.; Kumar, V.; Angelique, J. C.; Simpson, G. S.; Balabanski, D. L.; Fiori, E.; Georgiev, G.; Lozeva, R.; Force, C.; Grevy, S.; Stodel, Ch.; Thomas, J. C.; Kameda, D.; Matea, I.; Singh, B. S. Nara

    2008-11-11

    The gyromagnetic factor of the isomeric state of {sup 43}S has been measured using the Time Dependent Perturbed Angular Distribution (TDPAD) technique. The isomer was produced and spin aligned via the fragmentation of a 60 AMeV {sup 48}Ca beam at the GANIL facility. The deduced magnetic moment confirms the 7/2{sup -} spin/parity of the isomeric state and shows, for the first time, the intruder nature of the ground state. Comparison of the experimental values with Shell Model and mean-field based calculations were performed revealing a pronounced ground state deformation and a quasi-spherical isomeric state. A new isomeric state has been observed in the {sup 42}P.

  1. Questions? Contact Ms. Debbie Cutler at cutlerd@osti.gov.

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    that makes it easy to search a wide range of ... Using translation tools, WWE allows users to enter searches ... of choice, and the search terms are automatically ...

  2. MS4 & IP Connection - PowerPoint Presentation

    SciTech Connect (OSTI)

    Lemke, Terrill W.

    2015-05-20

    An overview of Los Alamos National Lab’s (LANL) storm sewer system, the presentation includes information on the management storm sewer permit and environmental programs and projects of LANL institutions.

  3. Climate Mag_27JUN2013_ms07022013.indd

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... melt rapidly and the ice upstream of the shelves ows more ... of fugitive methane (CH 4 ) and hydrocarbon leaks. ... that greenhouse gas emissions from coal power plants ...

  4. Commander, Naval Base ATTN: Ms. Cheryl Barnett Building N-26

    Office of Legacy Management (LM)

    As we discussed, in July 1956, the Atomic Energy Commission (a DOE predecessor) or its contractors conducted a fire training demonstration of uranium fire fighting techniques at ...

  5. Ms. Julie Smith Office of Electricity Delivery and Energy Reliability

    Broader source: Energy.gov (indexed) [DOE]

    Julie Smith Office of Electricity Delivery and Energy Reliability Mail Code OE-20 U.S. Department of Energy 1000 Independence Avenue Washington, D.C. 20585 Juliea.smith@hq.doe.gov; ...

  6. Comparative Informatics Analysis to Evaluate Site-Specific Protein Oxidation in Multidimensional LC-MS/MS Data

    SciTech Connect (OSTI)

    McClintock, Carlee; Parks, Jerry M; Bern, Marshall; Ghattyvenkatakrishna, Pavan K; Hettich, Robert {Bob} L

    2013-01-01

    Redox proteomics has yielded molecular insight into diseases of protein dysfunction attributable to oxidative stress, underscoring the need for robust detection of protein oxidation products. Additionally, oxidative protein surface mapping techniques utilize hydroxyl radicals to gain structural insight about solvent exposure. Interpretation of tandem mass spectral data is a critical challenge for such investigations, because reactive oxygen species target a wide breadth of amino acids. Additionally, oxidized peptides may be generated in a wide range of abundances since the reactivity of hydroxyl radicals with different amino acids spans three orders of magnitude. Taken together, these attributes of oxidative footprinting pose both experimental and computational challenges to detecting oxidized peptides that are naturally less abundant than their unoxidized counterparts. In this study, three model proteins were oxidized electrochemically and analyzed at both the intact protein and peptide levels. A multidimensional chromatographic strategy was utilized to expand the dynamic range of oxidized peptides measurements. Peptide mass spectral data were searched by the hybrid software packages Inspect and Byonic, which incorporate de novo elements of spectral interpretation into a database search. This dynamic search capacity accommodates the challenge of searching for more than forty oxidative mass shifts that can occur in a staggering variety of possible combinatorial occurrences. A prevailing set of oxidized residues was identified with this comparative approach, and evaluation of these sites was informed by solvent accessible surface area gleaned through molecular dynamics simulations. Along with increased levels of oxidation around highly reactive hotspot sites as expected, the enhanced sensitivity of these measurements uncovered a surprising level of oxidation on less reactive residues.

  7. Tandem dissolution of UO 3 in amide-based acidic ionic liquid and in situ electrodeposition of UO 2 with regeneration of the ionic liquid: a closed cycle

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wanigasekara, Eranda; Freiderich, John W.; Sun, Xiao-Guang; Meisner, Roberta A.; Luo, Huimin; Delmau, Lætitia H.; Dai, Sheng; Moyer, Bruce A.

    2016-05-19

    A closed cycle is demonstrated for the tandem dissolution and electroreduction of UO3 to UO2 with regeneration of the acidic ionic liquid. The dissolution is achieved by use of the acidic ionic liquid N,N-dimethylacetimidium bis(trifluoromethanesulfonimide) in 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonimide) serving as the diluent. Bulk electrolysis performed at 1.0 V vs. Ag reference yields a dark brown-black uranium deposit (UO2) on the cathode. Anodic oxidation of water in the presence of dimethylacetamide regenerates the acidic ionic liquid. We have demonstrated the individual steps in the cycle together with a sequential dissolution, electroreduction, and regeneration cycle.

  8. Chemical reactivity of CVC and CVD SiC with UO2 at high temperatures

    SciTech Connect (OSTI)

    Silva, Chinthaka M; Katoh, Yutai; Voit, Stewart L; Snead, Lance Lewis

    2015-01-01

    Two types of silicon carbide (SiC) synthesized using two different vapor deposition processes were embedded in UO2 pellets and evaluated for their potential chemical reaction with UO2. While minor reactivity between chemical-vapor-composited (CVC) SiC and UO2 was observed at comparatively low temperatures of 1100 and 1300 C, chemical-vapor-deposited (CVD) SiC did not show any such reactivity, according to microstructural investigations. However, both CVD and CVC SiCs showed some reaction with UO2 at a higher temperature (1500 C). Elemental maps supported by phase maps obtained using electron backscatter diffraction indicated that CVC SiC was more reactive than CVD SiC at 1500 C. Furthermore, this investigation indicated the formation of uranium carbides and uranium silicide chemical phases such as UC, USi2, and U3Si2 as a result of SiC reaction with UO2.

  9. PROCESS FOR THE PRODUCTION OF AN ACTIVATED FORM OF UO$sub 2$

    DOE Patents [OSTI]

    Polissar, M.J.

    1957-09-24

    A process for producing a highly active form of UO/sub 2/ characterized both by rapid oxidation in air and by rapid chlorination with CCl/sub 4/ vapor at an elevated temperature is reported. In accordance with the process, commercial UO/sub 2/, is subjected to a series of oxidation-reduction operations to produce a form of UC/sub 2/ of enhanced reactivity. By treatimg commercial UO/sub 2/ at a temperature between 335 and 485 deg C with methane, then briefly with an oxygen containing gas and followimg this by a second treatment with a methane containing gas, the original relatively stable charge of UO/sub 2/ will be transformed into an active form of UO/sub 2/.

  10. PUREX/UO{sub 3} facilities deactivation lessons learned history

    SciTech Connect (OSTI)

    Hamrick, D.G.; Gerber, M.S.

    1995-01-01

    The Plutonium-Uranium Extraction (PUREX) Facility operated from 1956-1972, from 1983-1988, and briefly during 1989-1990 to produce for national defense at the Hanford Site in Washington State. The Uranium Trioxide (UO{sub 3}) Facility operated at the Hanford Site from 1952-1972, 1984-1988, and briefly in 1993. Both plants were ordered to permanent shutdown by the U.S. Department of Energy (DOE) in December 1992, thus initiating their deactivation phase. Deactivation is that portion of a facility`s life cycle that occurs between operations and final decontamination and decommissioning (D&D). This document details the history of events, and the lessons learned, from the time of the PUREX Stabilization Campaign in 1989-1990, through the end of the first full fiscal year (FY) of the deactivation project (September 30, 1994).

  11. Surface reactions of ethanol over UO2(100) thin film

    SciTech Connect (OSTI)

    S. D. Senanayake; Mudiyanselage, K.; Burrell, A. K.; Sadowski, J. T.; Idriss, H.

    2015-10-08

    The study of the reactions of oxygenates on well-defined oxide surfaces is important for the fundamental understanding of heterogeneous chemical pathways that are influenced by atomic geometry, electronic structure, and chemical composition. In this work, an ordered uranium oxide thin film surface terminated in the (100) orientation is prepared on a LaAlO3 substrate and studied for its reactivity with a C-2 oxygenate, ethanol (CH3CH2OH). With the use of synchrotron X-ray photoelectron spectroscopy (XPS), we have probed the adsorption and desorption processes observed in the valence band, C 1s, O 1s, and U 4f to investigate the bonding mode, surface composition, electronic structure, and probable chemical changes to the stoichiometric-UO2(100) [smooth-UO2(100)] and Ar+-sputtered UO2(100) [rough-UO2(100)] surfaces. Unlike UO2(111) single crystal and UO2 thin film, Ar-ion-sputtering of this UO2(100) did not result in noticeable reduction of U cations. Upon ethanol adsorption (saturation occurred at 0.5 ML), only the ethoxy (CH3CH2O) species is formed on smooth-UO2(100) whereas initially formed ethoxy species are partially oxidized to surface acetate (CH3COO–) on the Ar+-sputtered UO2(100) surface. Furthermore, all ethoxy and acetate species are removed from the surface between 600 and 700 K.

  12. Surface reactions of ethanol over UO2(100) thin film

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    S. D. Senanayake; Mudiyanselage, K.; Burrell, A. K.; Sadowski, J. T.; Idriss, H.

    2015-10-08

    The study of the reactions of oxygenates on well-defined oxide surfaces is important for the fundamental understanding of heterogeneous chemical pathways that are influenced by atomic geometry, electronic structure, and chemical composition. In this work, an ordered uranium oxide thin film surface terminated in the (100) orientation is prepared on a LaAlO3 substrate and studied for its reactivity with a C-2 oxygenate, ethanol (CH3CH2OH). With the use of synchrotron X-ray photoelectron spectroscopy (XPS), we have probed the adsorption and desorption processes observed in the valence band, C 1s, O 1s, and U 4f to investigate the bonding mode, surface composition,more » electronic structure, and probable chemical changes to the stoichiometric-UO2(100) [smooth-UO2(100)] and Ar+-sputtered UO2(100) [rough-UO2(100)] surfaces. Unlike UO2(111) single crystal and UO2 thin film, Ar-ion-sputtering of this UO2(100) did not result in noticeable reduction of U cations. Upon ethanol adsorption (saturation occurred at 0.5 ML), only the ethoxy (CH3CH2O–) species is formed on smooth-UO2(100) whereas initially formed ethoxy species are partially oxidized to surface acetate (CH3COO–) on the Ar+-sputtered UO2(100) surface. Furthermore, all ethoxy and acetate species are removed from the surface between 600 and 700 K.« less

  13. Dissolution process for ZrO.sub.2 -UO.sub.2 -CaO fuels

    DOE Patents [OSTI]

    Paige, Bernice E.

    1976-06-22

    The present invention provides an improved dissolution process for ZrO.sub.2 -UO.sub.2 -CaO-type pressurized water reactor fuels. The zirconium cladding is dissolved with hydrofluoric acid, immersing the ZrO.sub.2 -UO.sub.2 -CaO fuel wafers in the resulting zirconium-dissolver-product in the dissolver vessel, and nitric acid is added to the dissolver vessel to facilitate dissolution of the uranium from the ZrO.sub.2 -UO.sub.2 -CaO fuel wafers.

  14. Simulations and Experimental Measurements of UO2 Thermal Conductivity

    SciTech Connect (OSTI)

    Stanek, Christopher Richard; Gofryk, Krzysztof; Tonks, Michael; Andersson, Anders David Ragnar; Liu, Xiang-Yang; Lashley, Jason Charles; Uberuaga, Blas P.; Mcclellan, Kenneth James

    2015-04-10

    Spin-phonon interactions lead to low κ of UO2 (and behave like a defect), and this has implications for nuclear fuel performace. The inability to capture spin-phonon scattering leads to inherent errors. The interplay between magnetism and structural asymmetry in UO2 displays rich physics. Grain boundary structure plays a role which must be taken into account.

  15. Final Report: Manganese Redox Mediation of UO2 Stability and Uranium Fate

    Office of Scientific and Technical Information (OSTI)

    in the Subsurface: Molecular and Meter Scale Dynamics (Technical Report) | SciTech Connect Report: Manganese Redox Mediation of UO2 Stability and Uranium Fate in the Subsurface: Molecular and Meter Scale Dynamics Citation Details In-Document Search Title: Final Report: Manganese Redox Mediation of UO2 Stability and Uranium Fate in the Subsurface: Molecular and Meter Scale Dynamics One strategy to remediate U contamination in the subsurface is the immobilization of U via injection of an

  16. DISPERSION ELEMENT CONSISTING OF CHROMIUM COATED UO$sup 2$ PARTICLES UNIFORMLY DISTRIBUTED IN A ZIRCALOY MATRIX

    DOE Patents [OSTI]

    Cain, F.M. Jr.; Eck, J.E.

    1963-05-01

    A nuclear fuel element consisting of metal coated UO/sub 2/ particles dispersed in a matrix of Zircalloy and having a cladding of Zircalloy is presented. (AEC)

  17. Near surface stoichiometry in UO2: A density functional theory study

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yu, Jianguo; Valderrama, Billy; Henderson, Hunter B.; Manuel, Michele V.; Allen, Todd

    2015-08-01

    The mechanisms of oxygen stoichiometry variation in UO2 at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2 near surface and defect effects of near surface on stoichiometry in which the system can exchange atoms with the external reservoir. In this study, the near (110) surface relaxation and stoichiometry in UO2 have been studied with density functional theory (DFT) calculations. On the basis of the point-defect model (PDM), a general expression for the near surface stoichiometric variationmore » is derived by using DFT total-energy calculations and atomistic thermodynamics, in an attempt to pin down the mechanisms of oxygen exchange between the gas environment and defected UO2. By using the derived expression, it is observed that, under poor oxygen conditions, the stoichiometry of near surface is switched from hyperstoichiometric at 300 K with a depth around 3 nm to near-stoichiometric at 1000 K and hypostoichiometric at 2000 K. Furthermore, at very poor oxygen concentrations and high temperatures, our results also suggest that the bulk of the UO2 prefers to be hypostoichiometric, although the surface is near-stoichiometric.« less

  18. Near surface stoichiometry in UO2: A density functional theory study

    SciTech Connect (OSTI)

    Yu, Jianguo; Valderrama, Billy; Henderson, Hunter B.; Manuel, Michele V.; Allen, Todd

    2015-08-01

    The mechanisms of oxygen stoichiometry variation in UO2 at different temperature and oxygen partial pressure are important for understanding the dynamics of microstructure in these crystals. However, very limited experimental studies have been performed to understand the atomic structure of UO2 near surface and defect effects of near surface on stoichiometry in which the system can exchange atoms with the external reservoir. In this study, the near (110) surface relaxation and stoichiometry in UO2 have been studied with density functional theory (DFT) calculations. On the basis of the point-defect model (PDM), a general expression for the near surface stoichiometric variation is derived by using DFT total-energy calculations and atomistic thermodynamics, in an attempt to pin down the mechanisms of oxygen exchange between the gas environment and defected UO2. By using the derived expression, it is observed that, under poor oxygen conditions, the stoichiometry of near surface is switched from hyperstoichiometric at 300 K with a depth around 3 nm to near-stoichiometric at 1000 K and hypostoichiometric at 2000 K. Furthermore, at very poor oxygen concentrations and high temperatures, our results also suggest that the bulk of the UO2 prefers to be hypostoichiometric, although the surface is near-stoichiometric.

  19. Chemical reactivity of CVC and CVD SiC with UO2 at high temperatures

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Silva, Chinthaka M.; Katoh, Yutai; Voit, Stewart L.; Snead, Lance L.

    2015-02-11

    Two types of silicon carbide (SiC) synthesized using two different vapor deposition processes were embedded in UO2 pellets and evaluated for their potential chemical reaction with UO2. While minor reactivity between chemical-vapor-composited (CVC) SiC and UO2 was observed at comparatively low temperatures of 1100 and 1300 C, chemical-vapor-deposited (CVD) SiC did not show any such reactivity, according to microstructural investigations. But, both CVD and CVC SiCs showed some reaction with UO2 at a higher temperature (1500 C). Elemental maps supported by phase maps obtained using electron backscatter diffraction indicated that CVC SiC was more reactive than CVD SiC at 1500more » C. Moreover, this investigation indicated the formation of uranium carbides and uranium silicide chemical phases such as UC, USi2, and U3Si2 as a result of SiC reaction with UO2.« less

  20. Synthesis and sintering of UN-UO2 fuel composites

    SciTech Connect (OSTI)

    Jaques, Brian J.; Watkins, Jennifer; Croteau, Joseph R.; Alanko, Gordon A.; Tyburska-Puschel, Beata; Meyer, Mitch; Xu, Peng; Lahoda, Edward J.; Butt, Darryl P.

    2015-06-17

    In this study, the design and development of an economical, accident tolerant fuel (ATF) for use in the current light water reactor (LWR) fleet is highly desirable for the future of nuclear power. Uranium mononitride has been identified as an alternative fuel with higher uranium density and thermal conductivity when compared to the benchmark, UO2, which could also provide significant economic benefits. However, UN by itself reacts with water at reactor operating temperatures. In order to reduce its reactivity, the addition of UO2 to UN has been suggested. In order to avoid carbon impurities, UN was synthesized from elemental uranium using a hydride-dehydride-nitride thermal synthesis route prior to mixing with up to 10 wt% UO2 in a planetary ball mill. UN and UN – UO2 composite pellets were sintered in Ar – (0–1 at%) N2 to study the effects of nitrogen concentration on the evolved phases and microstructure. UN and UN-UO2 composite pellets were also sintered in Ar – 100 ppm N2 to assess the effects of temperature (1700–2000 °C) on the final grain morphology and phase concentration.

  1. PREPARATION OF UO$sub 2$ FOR NUCLEAR REACTOR FUEL PELLETS

    DOE Patents [OSTI]

    Googin, J.M.

    1962-06-01

    A method is given for preparing high-density UO/sub 2/ compacts. An aqueous uranyl fluoride solution is contacted with an aqueous ammonium hydroxide solution at an ammonium to-uranium ratio of 25: 1 to 30:1 to form a precipitate. The precipitate is separated from the- mother liquor, dried, and contacted with steam at a uniform temperature within the range of 400 to 650 deg C to produce U/ sub 3/O/sub 8/. The U/sub 3/O/sub 8/ is red uced to UO/sub 2/ with hydrogen at a uniform temperature within the range of 550 to 600 deg C. The UO/sub 2/ is then compressed into compacts and sintered. High-density compacts are fabricated to close tolerances without use of a binder and without machining or grinding. (AEC)

  2. Fission gas release from UO{sub 2+x} in defective light water reactor fuel rods

    SciTech Connect (OSTI)

    Skim, Y. S.

    1999-11-12

    A simplified semi-empirical model predicting fission gas release form UO{sub 2+x} fuel to the fuel rod plenum as a function of stoichiometry excess (x) is developed to apply to the fuel of a defective LWR fuel rod in operation. The effect of fuel oxidation in enhancing gas diffusion is included as a parabolic dependence of the stoichiometry excess. The increase of fission gas release in a defective BWR fuel rod is at the most 3 times higher than in an intact fuel rod because of small extent of UO{sub 2} oxidation. The major enhancement contributor in fission gas release of UO{sub 2+x} fuel is the increased diffusivity due to stoichiometry excess rather than the higher temperature caused by degraded fuel thermal conductivity.

  3. Microstructure evolution in Xe-irradiated UO2 at room temperature

    SciTech Connect (OSTI)

    L.F. He; J. Pakarinen; M.A. Kirk; J. Gan; A.T. Nelson; X.-M. Bai; A. El-Azab; T.R. Allen

    2014-07-01

    In situ Transmission Electron Microscopy was conducted for single crystal UO2 to understand the microstructure evolution during 300 keV Xe irradiation at room temperature. The dislocation microstructure evolution was shown to occur as nucleation and growth of dislocation loops at low irradiation doses, followed by transformation to extended dislocation segments and tangles at higher doses. Xe bubbles with dimensions of 1-2 nm were observed after room-temperature irradiation. Electron Energy Loss Spectroscopy indicated that UO2 remained stoichiometric under room temperature Xe irradiation.

  4. SINGLE-STEP CONVERSION OF UO$sub 3$ TO UF$sub 4$

    DOE Patents [OSTI]

    Moore, J.E.

    1960-07-12

    A description is given of the preparation of uranium tetrafluoride by reacting a hexavalent uranium compound with a pclysaccharide and gaseous hydrogen fluoride at an elevated temperature. Uranium trioxide and starch are combined with water to form a doughy mixture. which is extruded into pellets and dried. The pellets are then contacted with HF at a temperature from 500 to 700 deg C in a moving bed reactor to prcduce UF/sub 4/. Reduction of the hexavalent uranium to UO/sub 2/ and conversion of the UO/sub 2/ to UF/sub 4/ are accomplished simultaneously in this process.

  5. PUREX/UO3 Facilities deactivation lessons learned history

    SciTech Connect (OSTI)

    Gerber, M.S.

    1996-09-19

    Disconnecting the criticality alarm permanently in June 1996 signified that the hazards in the PUREX (plutonium-uranium extraction) plant had been so removed and reduced that criticality was no longer a credible event. Turning off the PUREX criticality alarm also marked a salient point in a historic deactivation project, 1 year before its anticipated conclusion. The PUREX/UO3 Deactivation Project began in October 1993 as a 5-year, $222.5- million project. As a result of innovations implemented during 1994 and 1995, the project schedule was shortened by over a year, with concomitant savings. In 1994, the innovations included arranging to send contaminated nitric acid from the PUREX Plant to British Nuclear Fuels, Limited (BNFL) for reuse and sending metal solutions containing plutonium and uranium from PUREX to the Hanford Site tank farms. These two steps saved the project $36.9- million. In 1995, reductions in overhead rate, work scope, and budget, along with curtailed capital equipment expenditures, reduced the cost another $25.6 million. These savings were achieved by using activity-based cost estimating and applying technical schedule enhancements. In 1996, a series of changes brought about under the general concept of ``reengineering`` reduced the cost approximately another $15 million, and moved the completion date to May 1997. With the total savings projected at about $75 million, or 33.7 percent of the originally projected cost, understanding how the changes came about, what decisions were made, and why they were made becomes important. At the same time sweeping changes in the cultural of the Hanford Site were taking place. These changes included shifting employee relations and work structures, introducing new philosophies and methods in maintaining safety and complying with regulations, using electronic technology to manage information, and, adopting new methods and bases for evaluating progress. Because these changes helped generate cost savings and were

  6. Thermal Stabilization of {sup 233}UO{sub 2}, {sup 233}UO{sub 3}, and {sup 233}U{sub 3}O{sub 8}

    SciTech Connect (OSTI)

    Thein, S.M.

    2000-07-26

    This report identifies an appropriate thermal stabilization temperature for {sup 233}U oxides. The temperature is chosen principally on the basis of eliminating moisture and other residual volatiles. This report supports the U. S. Department of Energy (DOE) Standard for safe storage of {sup 233}U (DOE 2000), written as part of the response to Recommendation 97-1 of the Defense Nuclear Facilities Safety Board (DNFSB), addressing safe storage of {sup 233}U. The primary goals in choosing a stabilization temperature are (1) to ensure that the residual volatiles content is less than 0.5 wt % including moisture, which might produce pressurizing gases via radiolysis during long-term sealed storage; (2) to minimize potential for water readsorption above the 0.5 wt % threshold; and (3) to eliminate reactive uranium species. The secondary goals are (1) to reduce potential future chemical reactivity and (2) to increase the particle size thereby reducing the potential airborne release fraction (ARF) under postulated accident scenarios. The prevalent species of uranium oxide are the chemical forms UO{sub 2}, UO{sub 3}, and U{sub 3}O{sub 8}. Conversion to U{sub 3}O{sub 8} is sufficient to accomplish all of the desired goals. The preferred storage form is U{sub 3}O{sub 8} because it is more stable than UO{sub 2} or UO{sub 3} in oxidizing atmospheres. Heating in an oxidizing atmosphere at 750 C for at least one hour will achieve the thermal stabilization desired.

  7. Thermal Behavior of Advanced UO{sub 2} Fuel at High Burnup

    SciTech Connect (OSTI)

    Muller, E.; Lambert, T.; Silberstein, K.; Therache, B.

    2007-07-01

    To improve the fuel performance, advanced UO{sub 2} products are developed to reduce significantly Pellet-Cladding Interaction and Fission Gas Release to increase high burnup safety margins on Light Water Reactors. To achieve the expected improvements, doping elements are currently used, to produce large grain viscoplastic UO{sub 2} fuel microstructures. In that scope, AREVA NP is conducting the qualification of a new UO{sub 2} fuel pellet obtained by optimum chromium oxide doping. To assess the fuel thermal performance, especially the fuel conductivity degradation with increasing burnup and also the kinetics of fission gas release under transient operating conditions, an instrumented in-pile experiment, called REMORA, has been developed by the CEA. One segment base irradiated for five cycles in a French EDF commercial PWR ({approx} 62 GWd/tM) was consequently re-instrumented with a fuel centerline thermocouple and an advanced pressure sensor. The design of this specific sensor is based on the counter-pressure principle and avoids any drift phenomenon due to nuclear irradiation. This rodlet was then irradiated in the GRIFFONOS rig of the Osiris experimental reactor at CEA Saclay. This device, located in the periphery of the core, is designed to perform test under conditions close to those prevailing in French PWR reactor. Power variations are carried out by translating the device relatively to the core. Self - powered neutron detectors are positioned in the loop in order to monitor the power the whole time of the irradiation. The re-irradiation of the REMORA experiment consisted of a stepped ramp to power in order to point out a potential degradation of the fuel thermal conductivity with increasing burnup. During the first part of the irradiation, most of the measurements were performed at low power in order to take into account the irradiation effects on UO{sub 2} thermal conductivity at high burnup in low range of temperature. The second part of the irradiation

  8. Theoretical investigation of the impact of grain boundaries and fission gases on UO2 thermal conductivity

    SciTech Connect (OSTI)

    Du, Shiyu; Andersson, Anders D.; Germann, Timothy C.; Stanek, Christopher R.

    2012-05-02

    Thermal conductivity is one of the most important metrics of nuclear fuel performance. Therefore, it is crucial to understand the impact of microstructure features on thermal conductivity, especially since the microstructure evolves with burn-up or time in the reactor. For example, UO{sub 2} fuels are polycrystalline and for high-burnup fuels the outer parts of the pellet experience grain sub-division leading to a very fine grain structure. This is known to impact important physical properties such as thermal conductivity as fission gas release. In a previous study, we calculated the effect of different types of {Sigma}5 grain boundaries on UO{sub 2} thermal conductivity and predicted the corresponding Kapitza resistances, i.e. the resistance of the grain boundary in relation to the bulk thermal resistance. There have been reports of pseudoanisotropic effects for the thermal conductivity in cubic polycrystalline materials, as obtained from molecular dynamics simulations, which means that the conductivity appears to be a function of the crystallographic direction of the temperature gradient. However, materials with cubic symmetry should have isotropic thermal conductivity. For this reason it is necessary to determine the cause of this apparent anisotropy and in this report we investigate this effect in context of our earlier simulations of UO{sub 2} Kapitza resistances. Another source of thermal resistance comes from fission products and fission gases. Xe is the main fission gas and when generated in sufficient quantity it dissolves from the lattice and forms gas bubbles inside the crystalline structure. We have performed studies of how Xe atoms dissolved in the UO{sub 2} matrix or precipitated as bubbles impact thermal conductivity, both in bulk UO{sub 2} and in the presence of grain boundaries.

  9. Thermal transport in UO2 with defects and fission products by molecular dynamics simulations

    SciTech Connect (OSTI)

    Liu, Xiang-Yang; Cooper, Michael William Donald; Mcclellan, Kenneth James; Lashley, Jason Charles; Byler, Darrin David; Stanek, Christopher Richard; Andersson, Anders David Ragnar

    2015-10-14

    The importance of the thermal transport in nuclear fuel has motivated a wide range of experimental and modelling studies. In this report, the reduction of thermal transport in UO2 due to defects and fission products has been investigated using non-equilibrium MD simulations, with two sets of empirical potentials for studying the degregation of UO2 thermal conductivity including a Buckingham type interatomic potential and a recently developed EAM type interatomic potential. Additional parameters for U5+ and Zr4+ in UO2 have been developed for the EAM potential. The thermal conductivity results from MD simulations are then corrected for the spin-phonon scattering through Callaway model formulations. To validate the modelling results, comparison was made with experimental measurements on single crystal hyper-stoichiometric UO2+x samples.

  10. Fabrication of ThO/sub 2/ and ThO/sub 2/-UO/sub 2/ fuel pellets

    SciTech Connect (OSTI)

    Davis, N.C.; Matthews, R.B.; White, G.D.; Hart, P.E.

    1980-06-01

    In this presentation, ThO/sub 2/ and ThO/sub 2/-UO/sub 2/ pellet fuel development activities leading to the production of kilogram quantities of fuel are described. Conventional dry ball milling was used to produce ThO/sub 2/ and ThO/sub 2/-UO/sub 2/ mixtures that were pressed and sintered to 95% TD with a homogeneous distribution of the components.

  11. Sensitivity of UO2 Stability in a Reducing Environment on Radiolysis Model Parameters

    SciTech Connect (OSTI)

    Wittman, Richard S.; Buck, Edgar C.

    2012-09-01

    Results for a radiolysis model sensitivity study of radiolytically produced H2O2 are presented as they relate to Spent (or Used) Light Water Reactor uranium oxide (UO2) nuclear fuel (UNF) oxidation in a low oxygen environment. The model builds on previous reaction kinetic studies to represent the radiolytic processes occurring at the nuclear fuel surface. Hydrogen peroxide (H2O2) is the dominant oxidant for spent nuclear fuel in an O2-depleted water environment.

  12. $sup 18$O enrichment process in UO$sub 2$F$sub 2$ utilizing laser light

    DOE Patents [OSTI]

    DePoorter, G.L.; Rofer-DePoorter, C.K.

    1975-12-01

    Photochemical reaction induced by laser light is employed to separate oxygen isotopes. A solution containing UO$sub 2$F$sub 2$, HF, H$sub 2$O and a large excess of CH$sub 3$OH is irradiated with laser light of appropriate wavelength to differentially excite the UO$sub 2$$sup 2+$ ions containing $sup 16$O atoms and cause a reaction to proceed in accordance with the reaction 2 UO$sub 2$F$sub 2$ + CH$sub 3$OH + 4 HF $Yields$ 2 UF$sub 4$ down arrow + HCOOH + 3 H$sub 2$O. Irradiation is discontinued when about 10 percent of the UO$sub 2$F$sub 2$ has reacted, the UF$sub 4$ is filtered from the reaction mixture and the residual CH$sub 3$OH and HF plus the product HCOOH and H$sub 2$O are distilled away from the UO$sub 2$F$sub 2$ which is thereby enriched in the $sup 18$O isotope, or the solution containing the UO$sub 2$F$sub 2$ may be photochemically processed again to provide further enrichment in the $sup 18$O isotope.

  13. Development of Innovative Accident Tolerant High Thermal Conductivity UO2-Diamond Composite Fuel Pellets

    SciTech Connect (OSTI)

    Tulenko, James; Subhash, Ghatu

    2016-01-01

    The University of Florida (UF) evaluated a composite fuel consisting of UO2 powder mixed with diamond micro particles as a candidate as an accident-tolerant fuel (ATF). The research group had previous extensive experience researching with diamond micro particles as an addition to reactor coolant for improved plant thermal performance. The purpose of this research work was to utilize diamond micro particles to develop UO2-Diamond composite fuel pellets with significantly enhanced thermal properties, beyond that already being measured in the previous UF research projects of UO2 – SiC and UO2 – Carbon Nanotube fuel pins. UF is proving with the current research results that the addition of diamond micro particles to UO2 may greatly enhanced the thermal conductivity of the UO2 pellets producing an accident-tolerant fuel. The Beginning of life benefits have been proven and fuel samples are being irradiated in the ATR reactor to confirm that the thermal conductivity improvements are still present under irradiation.

  14. Recovery of UO[sub 2]/PuO[sub 2] in IFR electrorefining process

    DOE Patents [OSTI]

    Tomczuk, Z.; Miller, W.E.

    1994-10-18

    A process is described for converting PuO[sub 2] and UO[sub 2] present in an electrorefiner to the chlorides, by contacting the PuO[sub 2] and UO[sub 2] with Li metal in the presence of an alkali metal chloride salt substantially free of rare earth and actinide chlorides for a time and at a temperature sufficient to convert the UO[sub 2] and PuO[sub 2] to metals while converting Li metal to Li[sub 2]O. Li[sub 2]O is removed either by reducing with rare earth metals or by providing an oxygen electrode for transporting O[sub 2] out of the electrorefiner and a cathode, and thereafter applying an emf to the electrorefiner electrodes sufficient to cause the Li[sub 2]O to disassociate to O[sub 2] and Li metal but insufficient to decompose the alkali metal chloride salt. The U and Pu and excess lithium are then converted to chlorides by reaction with CdCl[sub 2].

  15. Effect of point defects on the thermal conductivity of UO2: molecular dynamics simulations

    SciTech Connect (OSTI)

    Liu, Xiang-Yang; Stanek, Christopher Richard; Andersson, Anders David Ragnar

    2015-07-21

    The thermal conductivity of uranium dioxide (UO2) fuel is an important materials property that affects fuel performance since it is a key parameter determining the temperature distribution in the fuel, thus governing, e.g., dimensional changes due to thermal expansion, fission gas release rates, etc. [1] The thermal conductivity of UO2 nuclear fuel is also affected by fission gas, fission products, defects, and microstructural features such as grain boundaries. Here, molecular dynamics (MD) simulations are carried out to determine quantitatively, the effect of irradiation induced point defects on the thermal conductivity of UO2, as a function of defect concentrations, for a range of temperatures, 300 – 1500 K. The results will be used to develop enhanced continuum thermal conductivity models for MARMOT and BISON by INL. These models express the thermal conductivity as a function of microstructure state-variables, thus enabling thermal conductivity models with closer connection to the physical state of the fuel [2].

  16. Recovery of UO.sub.2 /Pu O.sub.2 in IFR electrorefining process

    DOE Patents [OSTI]

    Tomczuk, Zygmunt; Miller, William E.

    1994-01-01

    A process for converting PuO.sub.2 and UO.sub.2 present in an electrorefiner to the chlorides, by contacting the PuO.sub.2 and UO.sub.2 with Li metal in the presence of an alkali metal chloride salt substantially free of rare earth and actinide chlorides for a time and at a temperature sufficient to convert the UO.sub.2 and PuO.sub.2 to metals while converting Li metal to Li.sub.2 O. Li.sub.2 O is removed either by reducing with rare earth metals or by providing an oxygen electrode for transporting O.sub.2 out of the electrorefiner and a cathode, and thereafter applying an emf to the electrorefiner electrodes sufficient to cause the Li.sub.2 O to disassociate to O.sub.2 and Li metal but insufficient to decompose the alkali metal chloride salt. The U and Pu and excess lithium are then converted to chlorides by reaction with CdCl.sub.2.

  17. Fluorination behavior of UO{sub 2}F{sub 2} in the presence of F{sub 2} and O{sub 2}

    SciTech Connect (OSTI)

    Matsuda, Minoru; Sato, Nobuaki; Kirishima, Akira; Tochiyama, Osamu

    2007-07-01

    To apply the fluoride volatility process to the spent nuclear fuel, fluorination of UO{sub 2} by fluorine has been studied. In this reaction, it is possible that the U-O-F compounds, such as UO{sub 2}F{sub 2}, are produced. Therefore, study of such compounds is useful in order to know the fluorination behavior of UO{sub 2}. This paper presents the fluorination behavior of UO{sub 2}F{sub 2} in the presence of F{sub 2} and O{sub 2}, analyzed by thermogravimetry and differential thermal analysis (TG-DTA) method using anti-corrosion type differential thermo-balance. In fluorine gas, exothermic peaks appeared and volatilization of UF{sub 6}. In oxygen gas, only slowly pace decomposition was measured from UO{sub 22} to UF{sub 6} and UO{sub 3}. (authors)

  18. Chemical reactivity of CVC and CVD SiC with UO2 at high temperatures

    SciTech Connect (OSTI)

    Silva, Chinthaka M.; Katoh, Yutai; Voit, Stewart L.; Snead, Lance L.

    2015-02-11

    Two types of silicon carbide (SiC) synthesized using two different vapor deposition processes were embedded in UO2 pellets and evaluated for their potential chemical reaction with UO2. While minor reactivity between chemical-vapor-composited (CVC) SiC and UO2 was observed at comparatively low temperatures of 1100 and 1300 C, chemical-vapor-deposited (CVD) SiC did not show any such reactivity, according to microstructural investigations. But, both CVD and CVC SiCs showed some reaction with UO2 at a higher temperature (1500 C). Elemental maps supported by phase maps obtained using electron backscatter diffraction indicated that CVC SiC was more reactive than CVD SiC at 1500 C. Moreover, this investigation indicated the formation of uranium carbides and uranium silicide chemical phases such as UC, USi2, and U3Si2 as a result of SiC reaction with UO2.

  19. First-principles study of noble gas impurities and defects in UO{sub 2}

    SciTech Connect (OSTI)

    Thompson, Alexander E.; Wolverton, C.

    2011-10-01

    We performed a series of density functional theory + U (DFT + U) calculations to explore the energetics of various defects in UO{sub 2}, i.e., noble gases (He, Ne, Ar, Kr, Xe), Schottky defects, and the interaction between these defects. We found the following: (1) collinear antiferromagnetic UO{sub 2} has an energy-lowering distortion of the oxygen sublattice from ideal fluorite positions; (2) DFT + U qualitatively affects the formation volume of Schottky defect clusters in UO{sub 2} (without U the formation volume is negative, but including U the formation volume is positive); (3) the configuration of the Schottky defect cluster is dictated by a competition between electrostatic and surface energy effects; (4) the incorporation energy of inserting noble gas atoms into an interstitial site has a strong dependence on the volume of the noble gas atom, corresponding to the strain it causes in the interstitial site, from He (0.98 eV) to Xe (9.73 eV); (5) the energetics of each of the noble gas atoms incorporated in Schottky defects show strong favorable binding, due to strain relief associated with moving the noble gas atom from the highly strained interstitial position into the vacant space of the Schottky defect; and (6) for argon, krypton, and xenon, the binding energy of a noble gas impurity with the Schottky defect is larger than the formation energy of a Schottky defect, thereby making the formation of Schottky defects thermodynamically favorable in the presence of these large impurities.

  20. Pellet fabrication development using thermally denitrated UO{sub 2} powder

    SciTech Connect (OSTI)

    Davis, N.C.; Griffin, C.W.

    1992-05-01

    Pacific Northwest Laboratory (PNL) has evaluted, on a laboratory scale, the characteristics and pellet fabrication properties of UO{sub 3} powder prepared by the thermal denitration process. Excellent quality, 96% TD (percent of theoretical density) pellets were produced from development lots of this powder. Apparently, the key to making this highly sinterable powder from uranyl nitrate is the addition of ammonium nitrate (NH{sub 4}NO{sub 3}) to the feed solution prior to thermal denitration. Powder lots were processed with and without the NH{sub 4}NO{sub 3} addition in the feed solution. The lots included samples from the ORNL laboratory rotary kiln and from a larger scale rotary kiln at National Lead of Ohio (NLO). In the PNL evaluation, samples of UO{sub 3} were calculated and reduced to UO{sub 2}, followed by conventional process procedures to compare the sinterability of the powder lots. The high density pellets made from the powder lots, which included the NH{sub 4}NO{sub 3} addition, were reduced to Fast Breeder Reactor (FBR) density range of 88 to 92% TD by the use of poreformers. The NH{sub 4}NO{sub 3} addition also improved the sinterability properties of uranium oxide powders that contain thorium and cerium. Thorium and cerium were used as ``stand-in`` for plutonium used in urania-plutonia FBR fuel pellets. A very preliminary examination of a single lot of thermally denitrated uranium-plutonium oxide powder was made. This powder lot was made with the NH{sub 3}NO{sub 3} addition and produced pellets just above the FBR density range.

  1. Solar and Photovoltaic Data from the University of Oregon Solar Radiation Monitoring Laboratory (UO SRML)

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    The UO SRML is a regional solar radiation data center whose goal is to provide sound solar resource data for planning, design, deployment, and operation of solar electric facilities in the Pacific Northwest. The laboratory has been in operation since 1975. Solar data includes solar resource maps, cumulative summary data, daily totals, monthly averages, single element profile data, parsed TMY2 data, and select multifilter radiometer data. A data plotting program and other software tools are also provided. Shade analysis information and contour plots showing the effect of tilt and orientation on annual solar electric system perfomance make up a large part of the photovoltaics data.(Specialized Interface)

  2. An Overview of Current and Past W-UO[2] CERMET Fuel Fabrication Technology

    SciTech Connect (OSTI)

    Douglas E. Burkes; Daniel M. Wachs; James E. Werner; Steven D. Howe

    2007-06-01

    Studies dating back to the late 1940s performed by a number of different organizations and laboratories have established the major advantages of Nuclear Thermal Propulsion (NTP) systems, particularly for manned missions. A number of NTP projects have been initiated since this time; none have had any sustained fuel development work that appreciably contributed to fuel fabrication or performance data from this era. As interest in these missions returns and previous space nuclear power researchers begin to retire, fuel fabrication technologies must be revisited, so that established technologies can be transferred to young researchers seamlessly and updated, more advanced processes can be employed to develop successful NTP fuels. CERMET fuels, specifically W-UO2, are of particular interest to the next generation NTP plans since these fuels have shown significant advantages over other fuel types, such as relatively high burnup, no significant failures under severe transient conditions, capability of accommodating a large fission product inventory during irradiation and compatibility with flowing hot hydrogen. Examples of previous fabrication routes involved with CERMET fuels include hot isostatic pressing (HIPing) and press and sinter, whereas newer technologies, such as spark plasma sintering, combustion synthesis and microsphere fabrication might be well suited to produce high quality, effective fuel elements. These advanced technologies may address common issues with CERMET fuels, such as grain growth, ductile to brittle transition temperature and UO2 stoichiometry, more effectively than the commonly accepted ‘traditional’ fabrication routes. Bonding of fuel elements, especially if the fabrication process demands production of smaller element segments, must be investigated. Advanced brazing techniques and compounds are now available that could produce a higher quality bond segment with increased ease in joining. This paper will briefly address the history of

  3. ORISE: Beryllium Awareness for Employees and Families (Video)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transcript (MS-Word)

  4. Supplying materials needed for grain growth characterizations of nano-grained UO2

    SciTech Connect (OSTI)

    Mo, Kun; Miao, Yinbin; Yun, Di; Jamison, Laura M.; Lian, Jie; Yao, Tiankei

    2015-09-30

    This activity is supported by the US Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Product Line (FPL) and aims at providing experimental data for the validation of the mesoscale simulation code MARMOT. MARMOT is a mesoscale multiphysics code that predicts the coevolution of microstructure and properties within reactor fuel during its lifetime in the reactor. It is an important component of the Moose-Bison-Marmot (MBM) code suite that has been developed by Idaho National Laboratory (INL) to enable next generation fuel performance modeling capability as part of the NEAMS Program FPL. In order to ensure the accuracy of the microstructure based materials models being developed within the MARMOT code, extensive validation efforts must be carried out. In this report, we summarize our preliminary synchrotron radiation experiments at APS to determine the grain size of nanograin UO2. The methodology and experimental setup developed in this experiment can directly apply to the proposed in-situ grain growth measurements. The investigation of the grain growth kinetics was conducted based on isothermal annealing and grain growth characterization as functions of duration and temperature. The kinetic parameters such as activation energy for grain growth for UO2 with different stoichiometry are obtained and compared with molecular dynamics (MD) simulations.

  5. Synchrotron characterization of nanograined UO2 grain growth

    SciTech Connect (OSTI)

    Mo, Kun; Miao, Yinbin; Yun, Di; Jamison, Laura M.; Lian, Jie; Yao, Tiankei

    2015-09-30

    This activity is supported by the US Nuclear Energy Advanced Modeling and Simulation (NEAMS) Fuels Product Line (FPL) and aims at providing experimental data for the validation of the mesoscale simulation code MARMOT. MARMOT is a mesoscale multiphysics code that predicts the coevolution of microstructure and properties within reactor fuel during its lifetime in the reactor. It is an important component of the Moose-Bison-Marmot (MBM) code suite that has been developed by Idaho National Laboratory (INL) to enable next generation fuel performance modeling capability as part of the NEAMS Program FPL. In order to ensure the accuracy of the microstructure based materials models being developed within the MARMOT code, extensive validation efforts must be carried out. In this report, we summarize our preliminary synchrotron radiation experiments at APS to determine the grain size of nanograin UO2. The methodology and experimental setup developed in this experiment can directly apply to the proposed in-situ grain growth measurements. The investigation of the grain growth kinetics was conducted based on isothermal annealing and grain growth characterization as functions of duration and temperature. The kinetic parameters such as activation energy for grain growth for UO2 with different stoichiometry are obtained and compared with molecular dynamics (MD) simulations.

  6. WSRC-MS-94-0605 Wall Thinning Acceptance Criteria for Degraded...

    Office of Scientific and Technical Information (OSTI)

    072395 - 072795. DOE Contract No. DE-AC09-89SRl8035 This paper was prepared in connection with work done under the above contract number with the U. S. Department of Energy. ...

  7. Ms. Elizabeth Withers, EIS Document Manager U.S. Department of...

    National Nuclear Security Administration (NNSA)

    ... (Upon information and belief, an employee apparently intentionally turned on a hydrogen gas spigot in the earlier Bush administration, which was reported in the press circa ...

  8. VIA EMAIL TO: LPT.RFI.2015@hq.doe.gov Ms. Alice Lippert Office...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    the rapid restoration of electric service in the event of certain types of catastrophes, for the purpose of enhancing grid resiliency. Grid Assurance is thus an industry response ...

  9. Ms. Rebecca Peterson U.S. Department of Energy U.S. Energy Information...

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    a regional basis. In addition to providing an extra measure of confidentiality, reporting data on a regional basis will assist with the management of fuel supply in the United...

  10. To: Ms. Brenda Edwards U.S. Department of Energy, Building Technologi...

    Energy Savers [EERE]

    ... For transformers installed on poles, an increase in transformer weight may generate, depending on transformer size, an increase in the required pole class to sustain the load. ...

  11. Ms. Judy Clayton, Chair Paducah Citizens Advisory Board EHI Consultants, Inc.

    Office of Environmental Management (EM)

    Mr. Rod Beever, Retrospective Review Comment Mr. Rod Beever, Retrospective Review Comment The following content was created in response to the Federal Register, Vol. 81,No.90 published May 10, 2016 in regards to reducing regulatory burden via a Request for Information (RFI). This is part of the implementation of Executive Order 13563. Mr. Rod Beever, Retrospective Review Comment (254.11 KB) More Documents & Publications SEVENTH RFI COMMENTS ON REDUCING REGULATORY BURDEN Notice of

  12. WSRC-MS-94-0605 Wall Thinning Acceptance Criteria for Degraded...

    Office of Scientific and Technical Information (OSTI)

    ... Based on the pipe burst experimental data, the maximum hoop ... determined with the FAD methodology described earlier. Note ... Electric Power Research Institute, Palo Alto, CA, ...

  13. LA-ICP/MS Analysis of Plastics as a Method to Support Polymer...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Journal Name: Journal of Radioanalytical and Nuclear Chemistry; Journal Volume: 307; Journal Issue: 3 Publisher: Springer Research Org: Pacific Northwest ...

  14. Ms Linda Cerrone | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Prior to her employment at Pantex, she was a crude oil sales representative and office manager with Scurlock-Permian Corporation (formerly the Permian Corporation) for 11 years. ...

  15. Microsoft Word - Cp3U-CO ms-rev-sub.doc

    Office of Scientific and Technical Information (OSTI)

    cyclopentadienyl ligands play in the difference is explored by DFT calculations with a small core effective core potential in which 32 electrons on uranium are explicitly treated. ...

  16. Matrix Optimization for the MALDI-TOF-MS Analysis of Trace Biodiesel Components (Poster)

    SciTech Connect (OSTI)

    McAlpin, C. R.; Voorhees, K. J.; Alleman, T. L.; McCormick, R. L.

    2009-01-01

    Trace biodiesel components that could reduce the fuel's operability in cold weather are analyzed using MALDI-TOF mass spectrometry.

  17. Development of chiral LC-MS methods for small molecules and their...

    Office of Scientific and Technical Information (OSTI)

    ... Reverse phase methods containifig high water were found to decrease ionization efficiency ... all mobile phase components such as water, solvents, and buffers; c) ensure ...

  18. /users/nfj/work/39/jun/ms6551SovinC/6551.dvi

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    effects of current profile control in reversed field pinches C.R. Sovinec Los Alamos National Laboratory, Los Alamos, New Mexico S.C. Prager University of Wisconsin-Madison, Madison, Wisconsin United States of America Abstract. Linear and non-linear MHD computations are used to investigate reversed field pinch configurations with magnetic fluctuations reduced through current profile control. Simulations with reduced ohmic drive and moderate auxiliary current drive, represented generically with

  19. /users/nfj/work/41/may/ms7146ForesC/7146.dvi

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Power deposition by mode converted electron Bernstein waves in the DIII-D 'heat pinch' experiments C.B. Forest Department of Physics, University of Wisconsin, Madison, Wisconsin, United States of America R.W. Harvey CompX, Del Mar, California, United States of America A.P. Smirnov Moscow State University, Moscow, Russian Federation Abstract. Mode converted electron Bernstein waves are shown to play an important role in power deposition in the off-axis electron cyclotron heating experiments on

  20. Matrix recrystallization for MALDI-MS imaging of maize lipids at high-spatial resolution

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Duenas, Maria Emilia; Carlucci, Laura; Lee, Young Jin

    2016-06-27

    Matrix recrystallization is optimized and applied to improve lipid ion signals in maize embryos and leaves. A systematic study was performed varying solvent and incubation time. During this study, unexpected side reactions were found when methanol was used as a recrystallization solvent, resulting in the formation of a methyl ester of phosphatidic acid. Furthermore, using an optimum recrystallization condition with isopropanol, there is no apparent delocalization demonstrated with a transmission electron microscopy (TEM) pattern and maize leaf images obtained at 10 μm spatial resolution.

  1. Fellowships for Students Pursuing Interdisciplinary MS with a Focus on Wind Energy

    SciTech Connect (OSTI)

    Naughton, Jonathan W

    2013-03-31

    The production of electricity from wind has grown rapidly in the U.S. and abroad. A problem generated by this rapid growth is the need for a highly trained workforce as has been discussed openly in recent workshops and in discussions with wind energy manufacturers and developers. In addition, the 20% by 2030 report lists workforce development as among the critical needs if the initiative is to succeed. This report also identified that, for this initiative to succeed, many of the wind energy related technologies needed to advance. As a result, a critical component of the workforce development is the highly trained personnel that can contribute to this technology advancement. The objective of this effort was to attract several highly qualified candidates to pursue a wind-energy focused interdisciplinary degree at the Masters Degree level. Since it was desired to produce these candidates as quickly as possible, fellowships were to be provided to the best candidates so that they could complete their degree quickly and transition to the workforce in the minimum time possible. In the course of advertising for these high quality candidates, it was hoped that other students would also be made aware of the educational and research opportunities offered by the Wind Energy Research Center (WERC). To ensure a wind energy focus for the students, a curriculum focused on wind was encouraged, but the curriculum was sufficiently flexible to allow the students to tailor the experience to meet their interests. Options for the students included internships or a thesis in addition to coursework only programs. The results of this effort are considered to be an overall success. Six students started the program and all have either completed or are in the last stages of completing the program. Individuals with a broad range of backgrounds started the program demonstrating that students from many areas can successfully complete such a program. On average, the students took longer than the expected three semesters and summer to complete the program, but this was largely due to the choices they made in their degree programs. All of the students completing their degree have either moved on to employment, graduate school, or are finishing up their degrees and actively looking for their next position. The outcomes of this program can thus serve to guide institutions looking to develop a similar program

  2. Networked MS Windows 3.1 based Classified Document Control System (CDOCS)

    SciTech Connect (OSTI)

    Desonier, L.M.

    1993-07-01

    Current classified document management systems require a tremendous amount of space and extensive manpower to account for, inventory, and protect the documents. Comprehensive analysis of current control and accountability procedures reveal the main problem is the actual handling of the paper itself. The purpose of the Networked Microsoft Windows 3.1 based Classified Document Control System (CDOCS) is to eliminate the paper by scanning and storing images of pages on a personal computer using {open_quotes}write once read mostly{close_quotes} (WORM) high density optical media. By saving images on the computer, not only can manpower and space requirements be reduced, but the chance of compromise is diminished. As an added benefit, the information is now more readily available to the authorized user and is provided to the user at the user`s PC. The network target for CDOCS is Microsoft Windows for Workgroups. Thus, the system is also readily applicable to unclassified document imaging uses.

  3. Microsoft Word - Sberro_MS_revised_NOVELTY_FIXED_feb14_2013.docx

    Office of Scientific and Technical Information (OSTI)

    ... also exists in many Mycobacterium 12 tuberculosis isolates; psyrTA exists in Shigella ... pathogens such as Mycobacterium tuberculosis, Staphylococcus aureus, and ...

  4. The Clinical Impact of Recent Advances in LC-MS for Cancer Biomarker...

    Office of Scientific and Technical Information (OSTI)

    Authors: Wang, Hui ; Shi, Tujin ; Qian, Weijun ; Liu, Tao ; Kagan, Jacob ; Srivastava, Sudhir ; Smith, Richard D. ; Rodland, Karin D. ; Camp, David G. Publication Date: 2016-01-01 ...

  5. Ms Rocio Meneses | U.S. DOE Office of Science (SC)

    Office of Science (SC) Website

    Scientific User Facilities (SUF) Division SUF Home About Staff Dr. James B. Murphy What's New User Facilities Projects Accelerator & Detector Research Science Highlights Principal ...

  6. LLNL Input to SNL L2 MS: Report on the Basis for Selection of Disposal Options

    SciTech Connect (OSTI)

    Sutton, M; Blink, J A; Halsey, W G

    2011-03-02

    This mid-year deliverable has two parts. The first part is a synopsis of J. Blink's interview of the former Nevada Attorney General, Frankie Sue Del Papa, which was done in preparation for the May 18-19, 2010 Legal and Regulatory Framework Workshop held in Albuquerque. The second part is a series of sections written as input for the SNL L2 Milestone M21UF033701, due March 31, 2011. Disposal of high-level radioactive waste is categorized in this review into several categories. Section II discusses alternatives to geologic disposal: space, ice-sheets, and an engineered mountain or mausoleum. Section III discusses alternative locations for mined geologic disposal: islands, coastlines, mid-continent, and saturated versus unsaturated zone. Section IV discusses geologic disposal alternatives other than emplacement in a mine: well injection, rock melt, sub-seabed, and deep boreholes in igneous or metamorphic basement rock. Finally, Secton V discusses alternative media for mined geologic disposal: basalt, tuff, granite and other igneous/metamorphic rock, alluvium, sandstone, carbonates and chalk, shale and clay, and salt.

  7. A WSRC-MS-g8-00318 Heat Transfer Model of Above and Underground...

    Office of Scientific and Technical Information (OSTI)

    MEETING 8 , INTERNATIONAL JOINT POWER GENERATION CONFERENCE 1998 at Baltimore, MA, USA ... the above calculations for thermal resistance, heat loss and core fluid temperature. ...

  8. Microsoft Word - Ce-CH3X ms-revised.doc

    Office of Scientific and Technical Information (OSTI)

    1 Hydrogen for X-group exchange in CH 3 X, X Cl, Br, I, OMe and NMe 2 by ... in a 1 H NMR spectrum in which a single hydrogen atom is statistically distributed into ...

  9. Role of uranium(VI) in the ThO/sub 2/-UO/sub 3/ sol-gel process

    SciTech Connect (OSTI)

    Tewari, P.H.; Campbell, A.B.

    1980-11-01

    Increases in pH and temperature of U(VI) solutions enhance adsorption of uranium on ThO/sub 2/ through hydrolysis of U(VI) as evidenced by absorption spectra changes of the solution. Sols of ThO/sub 2/-UO/sub 3/ are formed by adsorption of uranium on ThO/sub 2/. At low pH's (approx. pH 3.0), the sols behave as Newtonian fluids but at higher pH's the sols (especially the concentrated ones) transform into thixotropic gels. The increased adsorption of uranium by ThO/sub 2/ and the increased viscosity of the ThO/sub 2/-UO/sub 3/ sols with pH are related. Increased adsorption of uranium produces rod-shaped UO/sub 3/.2H/sub 2/O on the ThO/sub 2/ surface. These UO/sub 3/ nuclei link ThO/sub 2/ particles to form long rodlike particles. With further increased adsorption of uranium at higher pH's (less than or equal to 3.7), the particles crosslink to produce a structured network giving a thixotropic gel. Adsorption, electron microscopic, electrophoetic mobility, X-ray diffraction, and X-ray photoelectron spectroscopic data are presented to explain the role of U(VI) in the sol-gel process. 6 figures, 1 table.

  10. Direct electrolytic reduction of UO{sub 2} vs. U{sub 3}O{sub 8}

    SciTech Connect (OSTI)

    Barnes, L.A.; Willit, J.L.

    2007-07-01

    UO{sub 2} and U{sub 3}O{sub 8} have been electrochemically reduced to uranium metal by direct electrolytic reduction at 650 deg. C in molten LiCl-Li{sub 2}O. Differences in electrolyte concentrations and efficiency have been observed in the reduction process as a function of using UO{sub 2} vs. U{sub 3}O{sub 8} as the feed material. Numerous tests with UO{sub 2} as the feed material have been conducted to optimize the electrochemical cell design and process chemistry. These studies have reproducibly demonstrated greater than 99% reduction with current efficiencies as high as 75% and only a slight decrease in the Li{sub 2}O concentration. Initial scoping experiments using U{sub 3}O{sub 8} have achieved greater than 93% reduction to uranium metal. However, in the U{sub 3}O{sub 8} experiments, the Li{sub 2}O concentration dropped significantly upon introducing the feed basket into the cell electrolyte due to formation of Li{sub 2}UO{sub 4}., but under appropriate conditions could be fully reduced to metal. (authors)