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Sample records for honda insight vin

  1. AVTA: 2010 Honda Insight HEV Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Honda Insight hybrid-electric vehicle. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline and battery testing data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  2. Model year 2010 Honda insight level-1 testing report.

    SciTech Connect (OSTI)

    Rask, E.; Bocci, D.; Duoba, M.; Lohse-Busch, H.

    2011-03-22

    As a part of the US Department of Energy's Advanced Vehicle Testing Activity (AVTA), a model year 2010 Honda Insight was procured by eTec (Phoenix, AZ) and sent to ANL's Advanced Powertrain Research Facility for the purposes of vehicle-level testing in support of the Advanced Vehicle Testing Activity (AVTA). Data was acquired during testing using non-intrusive sensors, vehicle network information, and facilities equipment (emissions and dynamometer data). Standard drive cycles, performance cycles, steady-state cycles and A/C usage cycles were tested. Much of this data is openly available for download in ANL's Downloadable Dynamometer Database (D3). The major results are shown here in this report. Given the preliminary nature of this assessment, the majority of the testing was done over standard regulatory cycles and seeks to obtain a general overview of how the vehicle performs. These cycles include the US FTP cycle (Urban) and Highway Fuel Economy Test cycle as well as the US06, a more aggressive supplemental regulatory cycle. Data collection for this testing was kept at a fairly high level and includes emissions and fuel measurements from an exhaust emissions bench, high-voltage and accessory current and voltage from a DC power analyzer, and CAN bus data such as engine speed, engine load, and electric machine operation when available. The following sections will seek to explain some of the basic operating characteristics of the MY2010 Insight and provide insight into unique features of its operation and design.

  3. Mike Honda | Department of Energy

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

    Mike Honda About Us Mike Honda - Congressman Representing the 17th Congressional District of California Mike Honda U.S. Congressman Michael Honda represents the 17th Congressional District of California and has served in the U.S. House of Representatives for over twelve years. In Congress, Rep. Honda is a member of the powerful House Appropriations Committee, Chair Emeritus of the Congressional Asian Pacific American Caucus, Co-chair of the Democratic Caucus' New Media Working Group, and House

  4. Test Drive: Honda FCX Clarity

    Broader source: Energy.gov [DOE]

    A member of the Energy Empowers team takes the Honda FCX Clarity for a drive outside the U.S. Department of Energy in Washington, D.C.

  5. Honda Research Institute | Open Energy Information

    Open Energy Info (EERE)

    search Name: Honda Research Institute Place: Mountain View, California Sector: Biofuels, Solar Product: California-based research institute of Honda. The institute conducts...

  6. Honda Soltec Co Ltd | Open Energy Information

    Open Energy Info (EERE)

    Ltd Jump to: navigation, search Name: Honda Soltec Co Ltd Place: Kikuchi-gun, Kumamoto, Japan Sector: Solar Product: Japanese distributor of Honda Engineering's CIGS thin-film...

  7. Honda motor company's CVCC engine

    SciTech Connect (OSTI)

    Abernathy, W.J.; Ronan, L.

    1980-07-01

    Honda Motor Company of Japan in a four-year period from 1968 to 1872 designed, tested, and mass-produced a stratified charge engine, the CVCC, which in comparison to conventional engines of similar output at the time was lower in CO, HC and NO/sub x/ emissions and higher in fuel economy. Honda developed the CVCC engine without government assistance or outside help. Honda's success came at a time when steadily increasing fuel costs and the various provisions of the Clean Air Act had forced US automakers to consider possible alternatives to the conventional gasoline engine. While most major engine manufacturers had investigated some form of stratified charge engine, Honda's CVCC was the only one to find successful market application. This case study examines the circumstances surrounding the development of the CVCC engine and its introduction into the Japanese and American markets.

  8. AVTA: 2013 Honda Civic HEV Testing Results

    Broader source: Energy.gov [DOE]

    VTO's National Laboratories have tested and collected both dynamometer and fleet data for the Honda Civic HEV (a hybrid electric vehicle).

  9. Honda Engineering Corporation Ltd | Open Energy Information

    Open Energy Info (EERE)

    Ltd Jump to: navigation, search Name: Honda Engineering Corporation Ltd Place: Japan Product: Manufacture and sales of machine tools, equipment and production techniques,...

  10. Workplace Charging Challenge Partner: American Honda Motor Co., Inc. |

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

    Department of Energy Honda Motor Co., Inc. Workplace Charging Challenge Partner: American Honda Motor Co., Inc. Workplace Charging Challenge Partner: American Honda Motor Co., Inc. Honda is working to minimize the environmental impact of virtually every aspect of their business; from improving the fuel efficiency of Honda products to reducing the impact of corporate operations through adopting renewable energy and eliminating waste-to-landfill at their manufacturing plants to assisting Honda

  11. Honda Motor Co Ltd | Open Energy Information

    Open Energy Info (EERE)

    Motor Co Ltd Jump to: navigation, search Name: Honda Motor Co Ltd Place: Tokyo, Tokyo, Japan Zip: 107-8556 Sector: Vehicles Product: Leading global car manufacturer which began...

  12. 2011 Honda CR-Z 4466 - Hybrid Electric Vehicle Battery Test Results

    SciTech Connect (OSTI)

    Tyler Gray; Matthew Shirk; Jeffrey Wishart

    2014-09-01

    The U.S. Department of Energys Advanced Vehicle Testing Activity Program consists of vehicle, battery, and infrastructure testing on advanced technology related to transportation. The activity includes tests on hybrid electric vehicles, including testing traction batteries when both the vehicles and batteries are new and at the conclusion of 160,000 miles of on-road fleet testing. This report documents battery testing performed for the 2011 Honda CR-Z (VIN JHMZF1C67BS004466). Battery testing was performed by Intertek Testing Services NA. The Idaho National Laboratory and Intertek collaborate on the Advanced Vehicle Testing Activity for the Vehicle Technologies Office of the U.S. Department of Energy.

  13. 2011 HONDA CR-Z 2982 - HYBRID ELECTRIC VEHICLE BATTERY TEST RESULTS

    SciTech Connect (OSTI)

    Gray, Tyler; Shirk, Matthew; Wishart, Jeffrey

    2014-09-01

    The U.S. Department of Energys Advanced Vehicle Testing Activity Program consists of vehicle, battery, and infrastructure testing on advanced technology related to transportation. The activity includes tests on hybrid electric vehicles, including testing traction batteries when both the vehicles and batteries are new and at the conclusion of 160,000 miles of on-road fleet testing. This report documents battery testing performed for the 2011 Honda CR-Z (VIN JHMZF1C64BS002982). Battery testing was performed by Intertek Testing Services NA. The Idaho National Laboratory and Intertek collaborate on the Advanced Vehicle Testing Activity for the Vehicle Technologies Office of the U.S. Department of Energy.

  14. AVTA: 2011 Honda CRZ HEV Testing Results | Department of Energy

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

    Honda CRZ HEV Testing Results AVTA: 2011 Honda CRZ HEV Testing Results The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2011 Honda CRZ hybrid electric vehicle.

  15. QER - Comment of Honda Motor Co., Inc. | Department of Energy

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

    Honda Motor Co., Inc. QER - Comment of Honda Motor Co., Inc. From: Edward_Cohen@hna.honda.com Sent: Tuesday, June 10, 2014 12:42 PM To: QERcomments Subject: Quadrennial Energy Review : Comment on the Public Meeting _&Enhancing Infrastructure Resiliency,_8 Held April 11, 2014, Washington, D.C. filed by American Honda Motor Co., Inc. Attachment: QER Comments 6.10.2014.pdf Attached please find comments for the record for the Quadrennial Energy Review : Comment on the Public Meeting

  16. AVTA: 2012 CNG Honda Civic Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2012 Compressed Natural Gas Honda Civic GX. Baseline and other data collected at Idaho National Laboratory is in the attached documents. Baseline data collected at Argonne National Laboratory is available in summary and CSV form on the Argonne Downloadable Dynometer Database site (http://www.anl.gov/energy-systems/group/downloadable-dynamometer-databas...). Taken together, these reports give an overall view of how this vehicle functions under extensive testing.

  17. Secretary Chu to Join Representatives Lofgren and Honda at the SLAC

    Energy Savers [EERE]

    National Accelerator Laboratory | Department of Energy Representatives Lofgren and Honda at the SLAC National Accelerator Laboratory Secretary Chu to Join Representatives Lofgren and Honda at the SLAC National Accelerator Laboratory August 13, 2010 - 12:00am Addthis Washington, D.C. - On Monday, U.S. Energy Secretary Steven Chu will visit the SLAC National Accelerator Laboratory in Menlo Park, California. Secretary Chu will join Representatives Zoe Lofgren and Mike Honda and Stanford

  18. Blue Energy Co Ltd Honda GS Yuasa JV | Open Energy Information

    Open Energy Info (EERE)

    Product: Kyoto-based JV established between Honda and GS Yuasa which will manufacture lithium-ion batteries. Coordinates: 37.766842, 139.019287 Show Map Loading map......

  19. Development and Testing of an UltraBattery-Equipped Honda Civic Hybrid

    SciTech Connect (OSTI)

    Sally Sun; Tyler Gray; Pattie Hovorka; Jeffrey Wishart; Donald Karner; James Francfort

    2012-08-01

    The UltraBattery Retrofit Project DP1.8 and Carbon Enriched Project C3, performed by ECOtality North America (ECOtality) and funded by the U.S. Department of Energy and the Advanced Lead Acid Battery Consortium (ALABC), are established to demonstrate the suitability of advanced lead battery technology in hybrid electrical vehicles (HEVs). A profile, termed the Simulated Honda Civic HEV Profile (SHCHEVP) has been developed in Project DP1.8 in order to provide reproducible laboratory evaluations of different battery types under real-world HEV conditions. The cycle is based on the Urban Dynamometer Driving Schedule and Highway Fuel Economy Test cycles and simulates operation of a battery pack in a Honda Civic HEV. One pass through the SHCHEVP takes 2,140 seconds and simulates 17.7 miles of driving. A complete nickel metal hydride (NiMH) battery pack was removed from a Honda Civic HEV and operated under SHCHEVP to validate the profile. The voltage behavior and energy balance of the battery during this operation was virtually the same as that displayed by the battery when in the Honda Civic operating on the dynamometer under the Urban Dynamometer Driving Schedule and Highway Fuel Economy Test cycles, thus confirming the efficacy of the simulated profile. An important objective of the project has been to benchmark the performance of the UltraBatteries manufactured by both Furukawa Battery Co., Ltd., Japan (Furakawa) and East Penn Manufacturing Co., Inc. (East Penn). Accordingly, UltraBattery packs from both Furakawa and East Penn have been characterized under a range of conditions. Resistance measurements and capacity tests at various rates show that both battery types are very similar in performance. Both technologies, as well as a standard lead-acid module (included for baseline data), were evaluated under a simple HEV screening test. Both Furakawa and East Penn UltraBattery packs operated for over 32,000 HEV cycles, with minimal loss in performance; whereas the standard lead-acid unit experienced significant degradation after only 6,273 cycles. The high-carbon, ALABC battery manufactured in Project C3 also was tested under the advanced HEV schedule. Its performance was significantly better than the standard lead-acid unit, but was still inferior compared with the UltraBattery. The batteries supplied by Exide as part of the C3 Project performed well under the HEV screening test, especially at high temperatures. The results suggest that higher operating temperatures may improve the performance of lead-acid-based technologies operated under HEV conditionsit is recommended that life studies be conducted on these technologies under such conditions.

  20. 2011 Chevrolet Volt VIN 0815 Plug-In Hybrid Electric Vehicle Battery Test Results

    SciTech Connect (OSTI)

    Tyler Gray; Matthew Shirk; Jeffrey Wishart

    2013-07-01

    The U.S. Department of Energy (DOE) Advanced Vehicle Testing Activity (AVTA) program consists of vehicle, battery, and infrastructure testing on advanced technology related to transportation. The activity includes tests on plug-in hybrid electric vehicles (PHEVs), including testing the PHEV batteries when both the vehicles and batteries are new and at the conclusion of 12,000 miles of on-road fleet testing. This report documents battery testing performed for the 2011 Chevrolet Volt PHEV (VIN 1G1RD6E48BU100815). The battery testing was performed by the Electric Transportation Engineering Corporation (eTec) dba ECOtality North America. The Idaho National Laboratory and ECOtality North America collaborate on the AVTA for the Vehicle Technologies Program of the DOE.

  1. Development of Integrated Motor Assist Hybrid System: Development of the 'Insight', a Personal Hybrid Coupe

    SciTech Connect (OSTI)

    Kaoru Aoki; Shigetaka Kuroda; Shigemasa Kajiwara; Hiromitsu Sato; Yoshio Yamamoto

    2000-06-19

    This paper presents the technical approach used to design and develop the powerplant for the Honda Insight, a new motor assist hybrid vehicle with an overall development objective of just half the fuel consumption of the current Civic over a wide range of driving conditions. Fuel consumption of 35km/L (Japanese 10-15 mode), and 3.4L/100km (98/69/EC) was realized. To achieve this, a new Integrated Motor Assist (IMA) hybrid power plant system was developed, incorporating many new technologies for packaging and integrating the motor assist system and for improving engine thermal efficiency. This was developed in combination with a new lightweight aluminum body with low aerodynamic resistance. Environmental performance goals also included the simultaneous achievement of low emissions (half the Japanese year 2000 standards, and half the EU2000 standards), high efficiency, and recyclability. Full consideration was also given to key consumer attributes, including crash safety performance, handling, and driving performance.

  2. Vehicle Technologies Office: AVTA- Hybrid Electric Vehicles Performance and Testing Data

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. This page provides data on the hybrid electric versions of the Volkswagen Jetta, Ford C-Max, Chevrolet Malibu, Honda Civic, Hyundai Sonata, Honda CRZ, Honda Civic with Advanced Experimental Ultra Lead Acid Battery, Mercedes Benz, Toyota Prius Gen III, Ford Fusion, Honda Insight and Honda CR-Z.

  3. Energy Insight | Open Energy Information

    Open Energy Info (EERE)

    Energy Insight Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Energy Insight AgencyCompany Organization: Tendril Connect Sector: Energy Focus Area: Energy Efficiency...

  4. QER- Comment of Honda Motor Co., Inc.

    Broader source: Energy.gov [DOE]

    Quadrennial Energy Review : Comment on the Public Meeting “Enhancing Infrastructure Resiliency,” Held April 11, 2014, - Please provide link to where public comments are available.

  5. Update on INSIGHTS Development

    SciTech Connect (OSTI)

    Not Listed; Eric Burgett

    2011-09-01

    INSIGHTS is a transformational separate effects testing capability to perform in situ irradiation studies and characterization of the microscale behavior of nuclear fuel materials under a wide variety of in-pile conditions. Separate effects testing including growth, irradiation, and monitoring of these materials, and encompasses the full science based approach for fuels development from the nanoscale to the mesoscale behavior of the sample material and other defects driven by the modeling and simulation efforts of INL.

  6. Drilling Gives Insight

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

    Drilling Gives Insight into Groundwater NNSA Commemorates Milestone NNSS continues drilling program to look at possible contamination. Decon-12 helps emergency responders prepare for radiological threat. NNSS marks the 20th anniversary of the end of underground testing See page 8. See page 3. See page 4. NNSS Completes Pollux Experiment in Wrapping Successful Gemini Series The National Nuclear Security Administration (NNSA) announced that Pollux, a subcritical experiment, was successfully

  7. Insights from a Developer

    Office of Environmental Management (EM)

    INSIGHTS FROM A DEVELOPER JENNIFER BREDT DEVELOPMENT MANAGER RES Americas Inc. OCTOBER 26, 2010 AGENDA * INTRODUCTION AND RES OVERVIEW * GROWTH OF THE WIND INDUSTRY IN THE US * CHALLENGES CURRENTLY FACING THE INDUSTRY * WHERE WE ARE HEADED ABOUT - RES Americas Inc. CURRENT CHALLENGES THE FUTURE GROWTH YEARS OVERVIEW * Leader in wind power development and construction  Established in US in 1997 in Tehachapi, CA; UK parent active in wind since 1982  3,946 MW of completed construction

  8. Modeling for Insights

    SciTech Connect (OSTI)

    Jacob J. Jacobson; Gretchen Matthern

    2007-04-01

    System Dynamics is a computer-aided approach to evaluating the interrelationships of different components and activities within complex systems. Recently, System Dynamics models have been developed in areas such as policy design, biological and medical modeling, energy and the environmental analysis, and in various other areas in the natural and social sciences. The real power of System Dynamic modeling is gaining insights into total system behavior as time, and system parameters are adjusted and the effects are visualized in real time. System Dynamic models allow decision makers and stakeholders to explore long-term behavior and performance of complex systems, especially in the context of dynamic processes and changing scenarios without having to wait decades to obtain field data or risk failure if a poor management or design approach is used. The Idaho National Laboratory recently has been developing a System Dynamic model of the US Nuclear Fuel Cycle. The model is intended to be used to identify and understand interactions throughout the entire nuclear fuel cycle and suggest sustainable development strategies. This paper describes the basic framework of the current model and presents examples of useful insights gained from the model thus far with respect to sustainable development of nuclear power.

  9. Insights on STEM Careers

    SciTech Connect (OSTI)

    Wendelberger, Joanne Roth

    2014-11-05

    This presentation will provide career advice for individuals seeking to go beyond just having a job to building a successful career in the areas of Science, Technology, Engineering, and Mathematics. Careful planning can be used to turn a job into a springboard for professional advancement and personal satisfaction. Topics to be addressed include setting priorities, understanding career ladders, making tough choices, overcoming stereotypes and assumptions by others, networking, developing a professional identify, and balancing a career with family and other personal responsibilities. Insights on the transition from individual technical work to leadership will also be provided. The author will draw upon experiences gained in academic, industrial, and government laboratory settings, as well as extensive professional service and community involvement.

  10. Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO2(110)

    SciTech Connect (OSTI)

    Henderson, Michael A.; Lyubinetsky, Igor

    2013-06-12

    The field of heterogeneous photocatalysis has grown considerably in the decades since Fujishima and Honda's ground-breaking publications of photoelectrochemistry on TiO2. Numerous review articles continue to point to both progress made in the use of heterogeneous materials (such as TiO2) to perform photoconversion processes, and the many opportunities and challenges in heterogeneous photocatalysis research such as solar energy conversion and environmental remediation. The past decade has also seen an increase in the use of molecular-level approaches applied to model single crystal surfaces in an effort to obtain new insights into photocatalytic phenomena. In particular, scanning probe techniques (SPM) have enabled researchers to take a nanoscale approach to photocatalysis that includes interrogation of the reactivities of specific sites and adsorbates on a model photocatalyst surface. The rutile TiO2(110) surface has become the prototypical oxide single crystal surface for fundamental studies of many interfacial phenomena. In particular, TiO2(110) has become an excellent model surface for probing photochemical and photocatalytic reactions at the molecular level. A variety of experimental approaches have emerged as being ideally suited for studying photochemical reactions on TiO2(110), including desorption-oriented approaches and electronic spectroscopies, but perhaps the most promising techniques for evaluating site-specific properties are those of SPM. In this review, we highlight the growing use of SPM techniques in providing molecular-level insights into surface photochemistry on the model photocatalyst surface of rutile TiO2(110). Our objective is to both illustrate the unique knowledge that scanning probe techniques have already provided the field of photocatalysis, and also to motivate a new generation of effort into the use of such approaches to obtain new insights into the molecular level details of photochemical events occurring at interfaces. Discussion will start with an examination of how scanning probe techniques are being used to characterize the TiO2(110) surface in ways that are relevant to photocatalysis. We will then discuss specific classes of photochemical reaction on TiO2(110) for which SPM has proven indispensible in providing unique molecular-level insights, and conclude with discussion of future areas in which SPM studies may prove valuable to photocatalysis on TiO2. This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. I.L. was partially supported by a Pacific Northwest National Laboratory (PNNL) Chemical Imaging Initiative project. PNNL is a multiprogram national laboratory operated for DOE by Battelle.

  11. Space-Time Insight | Open Energy Information

    Open Energy Info (EERE)

    Space-Time Insight Jump to: navigation, search Name: Space-Time Insight Address: 45680 Northport Loop East Place: Fremont, California Zip: 94538 Region: Bay Area Sector: Efficiency...

  12. Insights into Methyltransferase Specificity and Bioactivity of...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Insights into Methyltransferase Specificity and Bioactivity of Derivatives of the Antibiotic Plantazolicin Citation Details In-Document Search Title: Insights into ...

  13. Physics of Reliability: Evaluating Design Insights for Component...

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

    Photovoltaics Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar Physics of Reliability: Evaluating Design Insights for Component ...

  14. Secretary Chu to Join Representatives Lofgren and Honda at the...

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

    questions in photon science, astrophysics, particle physics and accelerator research. ... The World's First Free-Electron X-ray Laser Secretary Chu Dedicates World's Most ...

  15. Selecting Solar: Insights into Residential Photovoltaic (PV)...

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

    Selecting Solar: Insights into Residential Photovoltaic (PV) Quote Variation Carolyn Davidson and Robert Margolis National Renewable Energy Laboratory Technical Report NREL...

  16. Insights from UT Austin Energy Poll

    Broader source: Energy.gov [DOE]

    Insights from UT Austin Energy Poll on U.S. Consumer Attitudes, July 24, 2013, Sheril Kirshenbaum, director of The Energy Poll.

  17. Crystal Structures of Phosphite Dehydrogenase Provide Insights...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Crystal Structures of Phosphite Dehydrogenase Provide Insights into Nicotinamide Cofactor Regeneration Citation Details In-Document ...

  18. Functional Insights from Structural Genomics

    SciTech Connect (OSTI)

    Forouhar,F.; Kuzin, A.; Seetharaman, J.; Lee, I.; Zhou, W.; Abashidze, M.; Chen, Y.; Montelione, G.; Tong, L.; et al

    2007-01-01

    Structural genomics efforts have produced structural information, either directly or by modeling, for thousands of proteins over the past few years. While many of these proteins have known functions, a large percentage of them have not been characterized at the functional level. The structural information has provided valuable functional insights on some of these proteins, through careful structural analyses, serendipity, and structure-guided functional screening. Some of the success stories based on structures solved at the Northeast Structural Genomics Consortium (NESG) are reported here. These include a novel methyl salicylate esterase with important role in plant innate immunity, a novel RNA methyltransferase (H. influenzae yggJ (HI0303)), a novel spermidine/spermine N-acetyltransferase (B. subtilis PaiA), a novel methyltransferase or AdoMet binding protein (A. fulgidus AF{_}0241), an ATP:cob(I)alamin adenosyltransferase (B. subtilis YvqK), a novel carboxysome pore (E. coli EutN), a proline racemase homolog with a disrupted active site (B. melitensis BME11586), an FMN-dependent enzyme (S. pneumoniae SP{_}1951), and a 12-stranded {beta}-barrel with a novel fold (V. parahaemolyticus VPA1032).

  19. Footprinting Technique Gives ALS Users New Insights

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

    Footprinting Technique Gives ALS Users New Insights Footprinting Technique Gives ALS Users New Insights Print Thursday, 24 September 2015 09:32 Recent research at ALS Beamline 5.3.1, detailed in this month's Science Highlight, revealed that an important photosynthetic mechanism called "nonphotochemical quenching" is triggered by the translocation of the carotenoid pigment within a critical light-sensitive protein called the Orange Carotenoid Protein (OCP). The x-ray footprinting (XFP)

  20. NREL: Technology Deployment - DGIC Interconnection Insights

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

    DGIC Interconnection Insights The Distributed Generation Interconnection Collaborative (DGIC) Insights provide answers to questions posed by DGIC participants, deliver timely updates on pressing interconnection issues, and disseminates analysis findings to inform decision making and planning. Utility Owned Roof Top Solar March 2016 by Kristen Ardani, National Renewable Energy Laboratory (NREL) These leaders are pioneering utility-owned rooftop solar programs to broaden the reach of solar PV

  1. Building America Whole-House Solutions for New Homes: Insight...

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

    Building America Whole-House Solutions for New Homes: Insight Homes, Seaford, Delaware Case study of Insight Homes, who worked with the Building America research partner IBACOS to ...

  2. Towards a deeper insight into strongly correlated electron systems...

    Office of Scientific and Technical Information (OSTI)

    Towards a deeper insight into strongly correlated electron systems- the symbiosis between experiment and theory Citation Details In-Document Search Title: Towards a deeper insight...

  3. ALS Gives Chevron Scientists New Insights into Corrosion Resistance

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

    ALS Gives Chevron Scientists New Insights into Corrosion Resistance ALS Gives Chevron Scientists New Insights into Corrosion Resistance Print Thursday, 25 July 2013 13:44 In the...

  4. Physics of Reliability: Evaluating Design Insights for Component...

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

    Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar (PREDICTS) Funding Opportunity Physics of Reliability: Evaluating Design Insights for ...

  5. Physics of Reliability: Evaluating Design Insights for Component...

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

    Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar 2 (PREDICTS 2) Physics of Reliability: Evaluating Design Insights for Component Technologies ...

  6. Ribosome research in atomic detail offers potential insights...

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

    Ribosome research offers potential insights into cancer Ribosome research in atomic detail offers potential insights into cancer, anemia, Alzheimer's A groundbreaking study of the...

  7. Insight into Alzheimer's, cancer, anemia gleaned from ribosome...

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

    Insights from ribosome research Insight into Alzheimer's, cancer, anemia gleaned from ribosome research Groundbreaking study of the human ribosome reveals tiny molecular machine is...

  8. Diesel Engine Oil Technology Insights and Opportunities | Department...

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

    Oil Technology Insights and Opportunities Diesel Engine Oil Technology Insights and Opportunities Perrformance of API CJ-4 diesel engine lubricating oil and emerging lubricant ...

  9. Structural and Mechanistic Insights into C-P Bond Hydrolysis...

    Office of Scientific and Technical Information (OSTI)

    Structural and Mechanistic Insights into C-P Bond Hydrolysis by Phosphonoacetate Hydrolase Citation Details In-Document Search Title: Structural and Mechanistic Insights into C-P ...

  10. Structural insights into [mu]-opioid receptor activation (Journal...

    Office of Scientific and Technical Information (OSTI)

    Structural insights into mu-opioid receptor activation Citation Details In-Document Search Title: Structural insights into mu-opioid receptor activation Authors: Huang, Weijiao ...

  11. New insights into HIV-1 vaccine design

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

    New insights into HIV-1 vaccine design New insights into HIV-1 vaccine design Scientists have created a computational model that could change the way that researchers look at possibilities for an HIV-1 vaccine. September 17, 2015 An HIV virus attacking a T cell An HIV virus attacking a T cell Contact Los Alamos National Laboratory Nick Njegomir Communications Office (505) 665-9394 Email "An effective HIV-1 vaccine has proven elusive, partly due to the difficulty of causing an immune

  12. Insights from Human/Mouse genome comparisons

    SciTech Connect (OSTI)

    Pennacchio, Len A.

    2003-03-30

    Large-scale public genomic sequencing efforts have provided a wealth of vertebrate sequence data poised to provide insights into mammalian biology. These include deep genomic sequence coverage of human, mouse, rat, zebrafish, and two pufferfish (Fugu rubripes and Tetraodon nigroviridis) (Aparicio et al. 2002; Lander et al. 2001; Venter et al. 2001; Waterston et al. 2002). In addition, a high-priority has been placed on determining the genomic sequence of chimpanzee, dog, cow, frog, and chicken (Boguski 2002). While only recently available, whole genome sequence data have provided the unique opportunity to globally compare complete genome contents. Furthermore, the shared evolutionary ancestry of vertebrate species has allowed the development of comparative genomic approaches to identify ancient conserved sequences with functionality. Accordingly, this review focuses on the initial comparison of available mammalian genomes and describes various insights derived from such analysis.

  13. Network-based Analysis and Insights | NISAC

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

    NISACNetwork-based Analysis and Insights content top Chemical Supply Chain Analysis Posted by Admin on Mar 1, 2012 in | Comments 0 comments Chemical Supply Chain Analysis NISAC has developed a range of capabilities for analyzing the consequences of disruptions to the chemical manufacturing industry. Each capability provides a different but complementary perspective on the questions of interest-questions like Given an event, will the entire chemical sector be impacted or just parts? Which

  14. Footprinting Technique Gives ALS Users New Insights

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

    Footprinting Technique Gives ALS Users New Insights Print Recent research at ALS Beamline 5.3.1, detailed in this month's Science Highlight, revealed that an important photosynthetic mechanism called "nonphotochemical quenching" is triggered by the translocation of the carotenoid pigment within a critical light-sensitive protein called the Orange Carotenoid Protein (OCP). The x-ray footprinting (XFP) technique developed at 5.3.1 allowed researchers to confirm that this translocation

  15. Insights from an overview of four PRAs

    SciTech Connect (OSTI)

    Fitzpatrick, R.; Arrieta, L.; Teichmann, T.; Davis, P.

    1986-01-01

    This paper summarizes the findings of an investigation of four probabilistic risk assessments (PRAs), those for Millstone 3, Seabrook, Shoreham, and Oconee 3, performed by Brookhaven National Laboratory (BNL) for the Reliability and Risk Assessment Branch of the US Nuclear Regulatory Commission (NRC). This group of four PRAs was subjected to an overview process with the basic goal of ascertaining what insights might be gained (beyond those already documented within the individual PRAs) by an independent evaluation of the group with respect to nuclear plant safety and vulnerability. Specifically, the objectives of the study were (1) to identify and rank initiators, systems, components, and failure modes from dominant accident sequences according to their contribution to core melt probability and public risk; and (2) to derive from this process plant-specific and generic insights. The effort was not intended to verify the specific details and results of each PRA but rather - having accepted the results - to see what they might mean in a more global context. The NRC had previously sponsored full detailed reviews of each of these PRAs, but only two, those for Millstone 3 and Shoreham, were completed and documented in time to allow their consideration within the study. This paper also presents some comments and insights into the amenability of certain features of these PRAs to this type of overview process.

  16. Enzyme Structure Provides Insights into Cancer and Aging

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

    Enzyme Structure Provides Insights into Cancer and Aging Enzyme Structure Provides Insights into Cancer and Aging Print Wednesday, 25 February 2009 00:00 XPD helicase is an enzyme...

  17. Physics of Reliability: Evaluating Design Insights for Component

    Energy Savers [EERE]

    Technologies in Solar 2 (PREDICTS 2) | Department of Energy Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar 2 (PREDICTS 2) Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar 2 (PREDICTS 2) Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar 2 (PREDICTS 2) The SunShot Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar 2 (PREDICTS 2) program funds

  18. Insight Gained from Simplified Dynamic Analysis | Department of Energy

    Office of Environmental Management (EM)

    Insight Gained from Simplified Dynamic Analysis Insight Gained from Simplified Dynamic Analysis Insight Gained from Simplified Dynamic Analysis ... or Everything Old is New Again October 21, 2014 Greg Mertz Consultant PDF icon Insight Gained from Simplified Dynamic Analysis More Documents & Publications Natural Phenomena Hazards (NPH) Workshop Non-Linear Seismic Soil Structure Interaction (SSI) Method for Developing Non-Linear Seismic SSI Analysis Techniques SASSI Methodology-Based

  19. Physics of Reliability: Evaluating Design Insights for Component

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

    Technologies in Solar | Department of Energy Photovoltaics » Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar The SunShot Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar (PREDICTS) program is taking a physics- and chemistry-based approach to identifying failure modes for solar products. Launched in October 2013, the PREDICTS

  20. The Structure of Ions near Carbon Nanotubes: New Insights into...

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

    The Structure of Ions near Carbon Nanotubes: New Insights into Carbon Surface Chemistry and Implications for Water Purification Carbon-based materials have long been used for a...

  1. Plasma Turbulence Simulations Reveal Promising Insight for Fusion...

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

    Insight for Fusion Energy By Argonne National Laboratory March 31, 2014 Tweet Widget Google Plus One Share on Facebook Simulation of microturbulence in a tokamak fusion device. ...

  2. Insights from Smart Meters: Identifying Specific Actions, Behaviors...

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

    Drive Savings in Behavior-Based Programs Insights from Smart Meters: Identifying Specific Actions, Behaviors, and Characteristics That Drive Savings in Behavior-Based Programs In ...

  3. Neutrons provide new insights into human cell behavior

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

    Neutrons provide new insights into human cell behavior Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue: Dec. 2015-Jan....

  4. Voices of Experience: New Guide Offers Utilities' Insights on...

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

    The resulting Voices of Experience | Insights on Smart Grid Customer Engagement guide, which was introduced today at the National Town Meeting on Demand Response and the Smart ...

  5. Pulsed high-magnetic-field experiments: New insights into the

    Office of Scientific and Technical Information (OSTI)

    magnetocaloric effect in Ni-Mn-In Heusler alloys (Journal Article) | SciTech Connect Pulsed high-magnetic-field experiments: New insights into the magnetocaloric effect in Ni-Mn-In Heusler alloys Citation Details In-Document Search Title: Pulsed high-magnetic-field experiments: New insights into the magnetocaloric effect in Ni-Mn-In Heusler alloys The present pulsed high-magnetic-field study on Ni{sub 50}Mn{sub 35}In{sub 15} gives an extra insight into the thermodynamics of the martensitic

  6. Decision insight into stakeholder conflict for ERN.

    SciTech Connect (OSTI)

    Siirola, John; Tidwell, Vincent Carroll; Benz, Zachary O.; Stansbury, Melanie; Richards, Elizabeth H.; Turnley, Jessica Glicken; Warrender, Christina E.; Morrow, James Dan

    2012-02-01

    Participatory modeling has become an important tool in facilitating resource decision making and dispute resolution. Approaches to modeling that are commonly used in this context often do not adequately account for important human factors. Current techniques provide insights into how certain human activities and variables affect resource outcomes; however, they do not directly simulate the complex variables that shape how, why, and under what conditions different human agents behave in ways that affect resources and human interactions related to them. Current approaches also do not adequately reveal how the effects of individual decisions scale up to have systemic level effects in complex resource systems. This lack of integration prevents the development of more robust models to support decision making and dispute resolution processes. Development of integrated tools is further hampered by the fact that collection of primary data for decision-making modeling is costly and time consuming. This project seeks to develop a new approach to resource modeling that incorporates both technical and behavioral modeling techniques into a single decision-making architecture. The modeling platform is enhanced by use of traditional and advanced processes and tools for expedited data capture. Specific objectives of the project are: (1) Develop a proof of concept for a new technical approach to resource modeling that combines the computational techniques of system dynamics and agent based modeling, (2) Develop an iterative, participatory modeling process supported with traditional and advance data capture techniques that may be utilized to facilitate decision making, dispute resolution, and collaborative learning processes, and (3) Examine potential applications of this technology and process. The development of this decision support architecture included both the engineering of the technology and the development of a participatory method to build and apply the technology. Stakeholder interaction with the model and associated data capture was facilitated through two very different modes of engagement, one a standard interface involving radio buttons, slider bars, graphs and plots, while the other utilized an immersive serious gaming interface. The decision support architecture developed through this project was piloted in the Middle Rio Grande Basin to examine how these tools might be utilized to promote enhanced understanding and decision-making in the context of complex water resource management issues. Potential applications of this architecture and its capacity to lead to enhanced understanding and decision-making was assessed through qualitative interviews with study participants who represented key stakeholders in the basin.

  7. Solar wind samples give insight into birth of solar system

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

    Solar wind samples Solar wind samples give insight into birth of solar system Most of the Genesis payload consisted of fragile solar-wind collectors, which had been exposed to the ...

  8. Worldwide Trends in Energy Use and Efficiency: Key Insights from...

    Open Energy Info (EERE)

    Trends in Energy Use and Efficiency: Key Insights from International Energy Agency (IEA) Indicator Analysis in Support of the Group of Eight (G8) Plan of Action Jump to:...

  9. Insights from Smart Meters: The Potential for Peak Hour Savings...

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

    The Potential for Peak Hour Savings from Behavior-Based Programs Insights from Smart Meters: The Potential for Peak Hour Savings from Behavior-Based Programs This report focuses on ...

  10. Structural Insight into the Regulation of the SNARE Assembly...

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

    Insight into the Regulation of the SNARE Assembly by the Cell Polarity Protein Sro7 The cells that comprise many tissues are polarized, meaning that they have distinct 'sides' with...

  11. Enzyme Structure Provides Insights into Cancer and Aging

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

    Provides Insights into Cancer and Aging Print XPD helicase is an enzyme that unwinds the DNA double helix; it is one component of an essential repair mechanism that maintains the...

  12. Enzyme Structure Provides Insights into Cancer and Aging

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

    Enzyme Structure Provides Insights into Cancer and Aging Print XPD helicase is an enzyme that unwinds the DNA double helix; it is one component of an essential repair mechanism...

  13. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Structures for Three Membrane Transport Proteins Yield Functional Insights Print Wednesday, 27 January 2010 00:00 Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is

  14. Sandia National Laboratories: Global Insight, Inc. / Department of Labor

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

    Facebook Twitter YouTube Flickr RSS Working with Sandia Global Insight, Inc. / Department of Labor Global Insight, Inc. (GII), was created by combining DRI (formerly Data Resources, Inc.) and WEFA (formerly Wharton Econometric Forecasting Associates). Due to copyright/distribution laws being derived from a proprietary service that Sandia pays for, Sandia can no longer provide GII factor information at this website. However, Sandia will continue to supply the DOL and the "combined key

  15. Nuclear magnetic resonance offers new insights into Pu 239

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

    Nuclear magnetic resonance offers new insights into Pu 239 Nuclear magnetic resonance offers new insights into Pu 239 Fingerprint of element found by LANL/Japanese team. May 29, 2012 How would the detonation of a nuclear energy source afffect an incoming asteroid? Georgios Koutroulakis and H. Yasuoka in the condensed-matter NMR lab at Los Alamos National Laboratory after having observed the magnetic resonance signal of Pu 239 for the first time. Get Expertise Scientist Eric Bauer Condensed

  16. Voices of Experience | Insights into Advanced Distribution Management

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

    Systems (February 2015) | Department of Energy Experience | Insights into Advanced Distribution Management Systems (February 2015) Voices of Experience | Insights into Advanced Distribution Management Systems (February 2015) The American Recovery and Reinvestment Act (ARRA) of 2009 spurred investments in smart grid technology and programs at utilities across the country. The Smart Grid Investment Grant program and Smart Grid Demonstration projects that it funded provided unprecedented

  17. Voices of Experience: Insights on Smart Grid Customer Engagement (July

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

    2013) | Department of Energy Experience: Insights on Smart Grid Customer Engagement (July 2013) Voices of Experience: Insights on Smart Grid Customer Engagement (July 2013) The success of the Smart Grid will depend in part on consumers taking a more proactive role in managing their energy use. This document is the result of a nine-month effort to compile information on the successful approaches used by utilities to engage customers regarding smart grid technology deployments. Voices of

  18. Voices of Experience: New Guide Offers Utilities' Insights on Engaging

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

    with Smart Grid Customers | Department of Energy Voices of Experience: New Guide Offers Utilities' Insights on Engaging with Smart Grid Customers Voices of Experience: New Guide Offers Utilities' Insights on Engaging with Smart Grid Customers July 11, 2013 - 10:44am Addthis Eric Lightner Eric Lightner Director of the Federal Smart Grid Task Force in the Office of Electricity Delivery and Energy Reliability The smart grid is creating numerous new opportunities for consumers to better manage

  19. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights High-Pressure MOF Research Yields Structural Insights Print Wednesday, 26 February 2014 00:00 Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate

  20. Metagenomic Insights into Evolution of a Heavy Metal-Contaminated

    Office of Scientific and Technical Information (OSTI)

    Groundwater Microbial Community (Journal Article) | SciTech Connect Metagenomic Insights into Evolution of a Heavy Metal-Contaminated Groundwater Microbial Community Citation Details In-Document Search Title: Metagenomic Insights into Evolution of a Heavy Metal-Contaminated Groundwater Microbial Community Understanding adaptation of biological communities to environmental change is a central issue in ecology and evolution. Metagenomic analysis of a stressed groundwater microbial community

  1. Crystal Structures of Phosphite Dehydrogenase Provide Insights into

    Office of Scientific and Technical Information (OSTI)

    Nicotinamide Cofactor Regeneration (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Crystal Structures of Phosphite Dehydrogenase Provide Insights into Nicotinamide Cofactor Regeneration Citation Details In-Document Search Title: Crystal Structures of Phosphite Dehydrogenase Provide Insights into Nicotinamide Cofactor Regeneration The enzyme phosphite dehydrogenase (PTDH) catalyzes the NAD{sup +}-dependent conversion of phosphite to phosphate and represents

  2. Insights into Autoregulation of Notch3 from Structural and Functional

    Office of Scientific and Technical Information (OSTI)

    Studies of Its Negative Regulatory Region (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region Citation Details In-Document Search Title: Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region Authors: Xu, Xiang ; Choi, Sung Hee ; Hu, Tiancen ; Tiyanont, Kittichoat ; Habets, Roger ; Groot, Arjan

  3. Insights into Methyltransferase Specificity and Bioactivity of Derivatives

    Office of Scientific and Technical Information (OSTI)

    of the Antibiotic Plantazolicin (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Insights into Methyltransferase Specificity and Bioactivity of Derivatives of the Antibiotic Plantazolicin Citation Details In-Document Search Title: Insights into Methyltransferase Specificity and Bioactivity of Derivatives of the Antibiotic Plantazolicin Authors: Hao, Yue ; Blair, Patricia M. ; Sharma, Abhishek ; Mitchell, Douglas A. ; Nair, Satish K. [1] + Show Author

  4. Sue Cange Provides Insight on Oak Ridge's Cleanup Progress, Partnerships

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

    | Department of Energy Sue Cange Provides Insight on Oak Ridge's Cleanup Progress, Partnerships Sue Cange Provides Insight on Oak Ridge's Cleanup Progress, Partnerships August 31, 2015 - 12:45pm Addthis Sue Cange, manager for the Oak Ridge Office of Environmental Management Sue Cange, manager for the Oak Ridge Office of Environmental Management OAK RIDGE, Tenn. - Sue Cange, manager for the Oak Ridge Office of Environmental Management, is responsible for safely executing the environmental

  5. Los Alamos offers new insights into radiation damage evolution

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

    New insights into radiation damage evolution Los Alamos offers new insights into radiation damage evolution Two reports are helping crack the code of how certain materials respond in the highly-damaging radiation environments within a nuclear reactor. March 16, 2015 Researchers at Los Alamos are studying complex materials issues, in this case the defects deep inside certain types of cubic metals. This image shows a reaction between two "stacking fault tetrahedra," a perfect SFT

  6. Insight into Alzheimer's, cancer, anemia gleaned from ribosome research

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

    Insights from ribosome research Insight into Alzheimer's, cancer, anemia gleaned from ribosome research Groundbreaking study of the human ribosome reveals tiny molecular machine is more versatile than previously understood December 22, 2014 The newly discovered rolling movement shown in (A) three-dimensional cryo-electron microscopy image of ribosome, and (B) computer-generated atomic-resolution model of the human ribosome consistent with microscopy. Figure 3. The newly discovered rolling

  7. Enzyme Structure Provides Insights into Cancer and Aging

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

    Enzyme Structure Provides Insights into Cancer and Aging Enzyme Structure Provides Insights into Cancer and Aging Print Wednesday, 25 February 2009 00:00 XPD helicase is an enzyme that unwinds the DNA double helix; it is one component of an essential repair mechanism that maintains the integrity of DNA. XPD is unique, however, in that pinpoint mutations of this single protein are responsible for three different human diseases: in xeroderma pigmentosum (XP), extreme sensitivity to sunlight

  8. ALS Gives Chevron Scientists New Insights into Corrosion Resistance

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

    ALS Gives Chevron Scientists New Insights into Corrosion Resistance ALS Gives Chevron Scientists New Insights into Corrosion Resistance Print Thursday, 25 July 2013 13:44 In the chemical environments common in energy production plants, steel pipes and equipment can accumulate layers of iron sulfide, some of which are corrosion resistant and provide protection to the steel surface. Understanding how operating conditions affect steel surface layers can improve corrosion rate estimates, decreasing

  9. Katharine Page: Atomic-level insights for better materials

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

    Katharine Page: Atomic-level insights for better materials Alumni Link: Opportunities, News and Resources for Former Employees Latest Issue:September 2015 all issues All Issues » submit Katharine Page: Atomic-level insights for better materials Page's research supports materials' advances that could have wide-ranging impact, investigating, manipulating and manufacturing nano-particles. May 1, 2014 Katherine Page Katherine Page Contact Linda Anderman Email A Love for Science Impassioned by

  10. Structural Insights into KCTD Protein Assembly and Cullin3 Recognition

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Structural Insights into KCTD Protein Assembly and Cullin3 Recognition Citation Details In-Document Search Title: Structural Insights into KCTD Protein Assembly and Cullin3 Recognition Authors: Ji, Alan X. ; Chu, Anh ; Nielsen, Tine Kragh ; Benlekbir, Samir ; Rubinstein, John L. ; Privé, Gilbert G. [1] ; Toronto) [2] ; UHN) [2] + Show Author Affiliations HSC ( Publication Date: 2016-02-12 OSTI Identifier: 1236863 Resource Type: Journal Article Resource

  11. Bob Jaffe, Massachusetts Institute of Technology, Insights from the Energy

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

    Critical Elements Policy Study by the American Physical Society and Material Research Society | Department of Energy Bob Jaffe, Massachusetts Institute of Technology, Insights from the Energy Critical Elements Policy Study by the American Physical Society and Material Research Society Bob Jaffe, Massachusetts Institute of Technology, Insights from the Energy Critical Elements Policy Study by the American Physical Society and Material Research Society PDF icon Session_A5_Jaffe_MIT.pdf More

  12. Proteins' Amazing Origami Powers: Insight for Potential Disease Treatments

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

    | Department of Energy Proteins' Amazing Origami Powers: Insight for Potential Disease Treatments Proteins' Amazing Origami Powers: Insight for Potential Disease Treatments October 4, 2011 - 12:46pm Addthis This is a visualization of drug molecules ("parade day-like balloons") in a simulated attack of the ribbon-like protein fibrils that are believed to be the cause of Alzheimer’s disease. <a

  13. Deep Insights from Thin Layers | Department of Energy

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

    Deep Insights from Thin Layers Deep Insights from Thin Layers March 13, 2014 - 4:08pm Addthis The Linac Coherent Light Source will create 3D images of single molecules using ultrafast pulses of very intense hard X-rays. | Image courtesy of SLAC. The Linac Coherent Light Source will create 3D images of single molecules using ultrafast pulses of very intense hard X-rays. | Image courtesy of SLAC. Charles Rousseaux Charles Rousseaux Senior Communications Specialist (detailee) How does it work? A

  14. AVTA: 2010 Honda Civic HEV with Experimental Ultra Lead Acid Battery Testing Results

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. These results provide benchmark data that researchers can use to develop technology models and guide future research and development. The following reports describe results of testing done on a 2010 Civic hybrid electric vehicle with an advanced experimental ultra-lead acid battery, an experimental vehicle not for sale. The baseline performance testing provides a point of comparison for the other test results. Taken together, these reports give an overall view of how this vehicle functions under extensive testing. This research was conducted by Idaho National Laboratory.

  15. AVTA: 2010 Honda CR-Z Hybrid Downloadable Dynamometer Database Reports

    Broader source: Energy.gov [DOE]

    The Vehicle Technologies Office's Advanced Vehicle Testing Activity carries out testing on a wide range of advanced vehicles and technologies on dynamometers, closed test tracks, and on-the-road. ...

  16. Development and Testing of an UltraBattery-Equipped Honda Civic

    SciTech Connect (OSTI)

    Donald Karner

    2012-04-01

    The UltraBattery retrofit project DP1.8 and Carbon Enriched project C3, performed by ECOtality North America (ECOtality) and funded by the U.S. Department of Energy (DOE) and the Advanced Lead Acid Battery Consortium (ALABC), are to demonstrate the suitability of advanced lead battery technology in Hybrid Electrical Vehicles (HEVs).

  17. Selecting Solar. Insights into Residential Photovoltaic (PV) Quote Variation

    SciTech Connect (OSTI)

    Davidson, Carolyn; Margolis, Robert

    2015-10-01

    This analysis leverages available data from EnergySage, an online solar marketplace, to offer the first data-driven characterization of quote variation faced by prospective PV customers, lending early insight into the decisions customers face once they have initial buy-in.

  18. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  19. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  20. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  1. Structures for Three Membrane Transport Proteins Yield Functional Insights

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

    Structures for Three Membrane Transport Proteins Yield Functional Insights Print Cells depend on contact with their outside environment in order to thrive. Two examples illustrate why: In one, information needed to guide cellular processes is constantly transmitted across cell membranes by specialized proteins, and in the other, maintaining the right gradient of ions across the membrane is a process critical to the life and death of a cell. Membrane transport proteins-functioning either as

  2. Plasma Turbulence Simulations Reveal Promising Insight for Fusion Energy |

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

    Princeton Plasma Physics Lab Plasma Turbulence Simulations Reveal Promising Insight for Fusion Energy By Argonne National Laboratory March 31, 2014 Tweet Widget Google Plus One Share on Facebook Simulation of microturbulence in a tokamak fusion device. (Credit: Chad Jones and Kwan-Liu Ma, University of California, Davis; Stephane Ethier, Princeton Plasma Physics Laboratory) Simulation of microturbulence in a tokamak fusion device. (Credit: Chad Jones and Kwan-Liu Ma, University of

  3. New imaging technique provides improved insight into controlling the plasma

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

    in fusion experiments | Princeton Plasma Physics Lab New imaging technique provides improved insight into controlling the plasma in fusion experiments By John Greenwald December 9, 2013 Tweet Widget Google Plus One Share on Facebook Graphic representation of 2D images of fluctuating electron temperatures in a cross-section of a confined fusion plasma. Graphic representation of 2D images of fluctuating electron temperatures in a cross-section of a confined fusion plasma. A key issue for the

  4. New imaging technique provides improved insight into controlling the plasma

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

    in fusion experiments | Princeton Plasma Physics Lab New imaging technique provides improved insight into controlling the plasma in fusion experiments By John Greenwald December 9, 2013 Tweet Widget Google Plus One Share on Facebook Graphic representation of 2D images of fluctuating electron temperatures in a cross-section of a confined fusion plasma. Graphic representation of 2D images of fluctuating electron temperatures in a cross-section of a confined fusion plasma. A key issue for the

  5. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  6. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  7. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  8. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  9. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  10. Enzyme Structure Provides Insights into Cancer and Aging

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

    Enzyme Structure Provides Insights into Cancer and Aging Print XPD helicase is an enzyme that unwinds the DNA double helix; it is one component of an essential repair mechanism that maintains the integrity of DNA. XPD is unique, however, in that pinpoint mutations of this single protein are responsible for three different human diseases: in xeroderma pigmentosum (XP), extreme sensitivity to sunlight promotes cancer; Cockayne syndrome (CS) involves stunted growth and premature aging;

  11. Enzyme Structure Provides Insights into Cancer and Aging

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

    Enzyme Structure Provides Insights into Cancer and Aging Print XPD helicase is an enzyme that unwinds the DNA double helix; it is one component of an essential repair mechanism that maintains the integrity of DNA. XPD is unique, however, in that pinpoint mutations of this single protein are responsible for three different human diseases: in xeroderma pigmentosum (XP), extreme sensitivity to sunlight promotes cancer; Cockayne syndrome (CS) involves stunted growth and premature aging;

  12. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  13. High-Pressure MOF Research Yields Structural Insights

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

    High-Pressure MOF Research Yields Structural Insights Print Metal-organic frameworks (MOFs) are a remarkable class of relatively new materials that exist as a subclass of a larger group called coordination networks. MOFs have shown promise in a variety of applications ranging from gas storage to ion exchange. The materials are comprised of organic linkers that bridge discrete metal building units. Accurate structural knowledge is key to the understanding of the applicability of these materials,

  14. Katharine Page-Atomic-level insights for better materials

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

    Katharine Page Katharine Page-Atomic-level insights for better materials Page's research supports materials' advances that could have wide-ranging impact, investigating, manipulating and manufacturing nano-particles. March 26, 2014 Katharine Page Katharine Page "Page advises young women to be unafraid of exploring new career options and to always ask questions and learn from others along the way." A Love for Science Impassioned by materials science, Katharine Page told her college

  15. Jefferson Lab holds educational, insightful science lectures in June |

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

    Jefferson Lab educational, insightful science lectures in June June 11, 2007 Jefferson Lab is hosting two free, public lectures on consecutive evenings in June. The Monday, June 18, presentation highlights the genius and scientific discoveries of Benjamin Franklin. By establishing that lightning is electrical and that electricity involves charge, Franklin's research opened the way for many new discoveries. Fred Dylla, Executive Director and CEO of the American Institute of Physics and former

  16. Enzyme Structure Provides Insights into Cancer and Aging

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

    Enzyme Structure Provides Insights into Cancer and Aging Print XPD helicase is an enzyme that unwinds the DNA double helix; it is one component of an essential repair mechanism that maintains the integrity of DNA. XPD is unique, however, in that pinpoint mutations of this single protein are responsible for three different human diseases: in xeroderma pigmentosum (XP), extreme sensitivity to sunlight promotes cancer; Cockayne syndrome (CS) involves stunted growth and premature aging;

  17. Enzyme Structure Provides Insights into Cancer and Aging

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

    Enzyme Structure Provides Insights into Cancer and Aging Print XPD helicase is an enzyme that unwinds the DNA double helix; it is one component of an essential repair mechanism that maintains the integrity of DNA. XPD is unique, however, in that pinpoint mutations of this single protein are responsible for three different human diseases: in xeroderma pigmentosum (XP), extreme sensitivity to sunlight promotes cancer; Cockayne syndrome (CS) involves stunted growth and premature aging;

  18. Enzyme Structure Provides Insights into Cancer and Aging

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

    Enzyme Structure Provides Insights into Cancer and Aging Print XPD helicase is an enzyme that unwinds the DNA double helix; it is one component of an essential repair mechanism that maintains the integrity of DNA. XPD is unique, however, in that pinpoint mutations of this single protein are responsible for three different human diseases: in xeroderma pigmentosum (XP), extreme sensitivity to sunlight promotes cancer; Cockayne syndrome (CS) involves stunted growth and premature aging;

  19. Enzyme Structure Provides Insights into Cancer and Aging

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

    Enzyme Structure Provides Insights into Cancer and Aging Print XPD helicase is an enzyme that unwinds the DNA double helix; it is one component of an essential repair mechanism that maintains the integrity of DNA. XPD is unique, however, in that pinpoint mutations of this single protein are responsible for three different human diseases: in xeroderma pigmentosum (XP), extreme sensitivity to sunlight promotes cancer; Cockayne syndrome (CS) involves stunted growth and premature aging;

  20. Insights from Smart Meters: Identifying Specific Actions, Behaviors, and

    Office of Environmental Management (EM)

    Characteristics That Drive Savings in Behavior-Based Programs | Department of Energy Identifying Specific Actions, Behaviors, and Characteristics That Drive Savings in Behavior-Based Programs Insights from Smart Meters: Identifying Specific Actions, Behaviors, and Characteristics That Drive Savings in Behavior-Based Programs In this report, we use smart meter data to analyze specific actions, behaviors, and characteristics that drive energy savings in a BB program. Specifically, we examine a

  1. New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities...

    Office of Scientific and Technical Information (OSTI)

    New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins Citation Details In-Document Search Title: New Insights into the RNA-Binding and E3 Ubiquitin Ligase...

  2. Insights into capacity loss mechanisms in Li-ion all-solid-state...

    Office of Scientific and Technical Information (OSTI)

    Insights into capacity loss mechanisms in Li-ion all-solid-state batteries with Al anodes Citation Details In-Document Search Title: Insights into capacity loss mechanisms in...

  3. Structural insight into the regulation of MOF in the male-specific...

    Office of Scientific and Technical Information (OSTI)

    Structural insight into the regulation of MOF in the male-specific lethal complex and the non-specific lethal complex Citation Details In-Document Search Title: Structural insight ...

  4. Selecting Solar: Insights into Residential Photovoltaic (PV) Quote Variation

    SciTech Connect (OSTI)

    Davidson, Carolyn; Margolis, Robert

    2015-10-01

    Before investing in a system, a prospective PV customer must not only have initial concept 'buy in,' but also be able to evaluate the tradeoffs associated with different system parameters. Prospective customers might need to evaluate disparate costs for each system attribute by comparing multiple bids. The difficulty of making such an evaluation with limited information can create a cognitive barrier to proceeding with the investment. This analysis leverages recently available data from EnergySage, an online solar marketplace, to offer the first data-driven characterization of quote variation faced by prospective PV customers, lending early insight into the decisions customers face once they have initial buy-in.

  5. "Omics of the mammalian gut new insights into function

    SciTech Connect (OSTI)

    Lamendella, Regina; Verberkmoes, Nathan C; Jansson, Janet

    2012-01-01

    To understand the role of gut microbes in host health, it is imperative to probe their genetic potential, expression, and ecological status. The current high-throughput sequencing revolution, in addition to advances in mass spectrometry-based proteomics, have recently enabled deep access to these complex environments, and are revealing important insights into the roles of the gastrointestinal (GI) microbiota in host physiology and health. This review discusses examples of how the integration of cutting-edge meta-omics technologies are providing new knowledge about the relationships between host health status in mammals and the microbes inhabiting the GI tract. In addition, we address some promises that these techniques hold for future therapeutic and diagnostic applications.

  6. Structural Insights into the Mechanism of PEPCK Catalysis

    SciTech Connect (OSTI)

    Holyoak,T.; Sullivan, S.; Nowak, T.

    2006-01-01

    Phosphoenolpyruvate carboxykinase catalyzes the reversible decarboxylation of oxaloacetic acid with the concomitant transfer of the {gamma}-phosphate of GTP to form PEP and GDP as the first committed step of gluconeogenesis and glyceroneogenesis. The three structures of the mitochondrial isoform of PEPCK reported are complexed with Mn{sup 2+}, Mn{sup 2+}-PEP, or Mn{sup 2+}-malonate-Mn{sup 2+}GDP and provide the first observations of the structure of the mitochondrial isoform and insight into the mechanism of catalysis mediated by this enzyme. The structures show the involvement of the hyper-reactive cysteine (C307) in the coordination of the active site Mn{sup 2+}. Upon formation of the PEPCK-Mn{sup 2+}-PEP or PEPCK-Mn{sup 2+}-malonate-Mn{sup 2+}GDP complexes, C307 coordination is lost as the P-loop in which it resides adopts a different conformation. The structures suggest that stabilization of the cysteine-coordinated metal geometry holds the enzyme as a catalytically incompetent metal complex and may represent a previously unappreciated mechanism of regulation. A third conformation of the mobile P-loop in the PEPCK-Mn{sup 2+}-malonate-Mn{sup 2+}GDP complex demonstrates the participation of a previously unrecognized, conserved serine residue (S305) in mediating phosphoryl transfer. The ordering of the mobile active site lid in the PEPCK-Mn{sup 2+}-malonate-Mn{sup 2+}GDP complex yields the first observation of this structural feature and provides additional insight into the mechanism of phosphoryl transfer.

  7. Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar (PREDICTS) Funding Opportunity

    Broader source: Energy.gov [DOE]

    The Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar (PREDICTS) program supports projects that evaluate the degradation and failure mechanisms of concentrating...

  8. Structural and mechanistic insights into Mcm2-7 double-hexamer...

    Office of Scientific and Technical Information (OSTI)

    and mechanistic insights into Mcm2-7 double-hexamer assembly and function Sun, Jingchuan Brookhaven National Laboratory (BNL), Upton, NY (United States); Li, Huilin Brookhaven...

  9. New Whole-House Solutions Case Study: Insight Homes, Seaford, Delaware

    Energy Savers [EERE]

    Insight Homes of Bridgeville, Delaware, has worked with Building America's IBACOS team to refine its home designs to achieve HERS scores of 49 to 56 on 40 to 70 homes per year. For Insight Homes, energy efficiency sells. Marketing its homes exclusively based on energy efficiency, Insight Homes sold 38 homes in 2009, 54 in 2010, and 70 homes in 2011, and had a long backlog of orders for new homes in 2012. As a builder in humid East Coast climates, Insight Homes pays particular attention to

  10. Making Sustainable Energy Choices: Insights on the Energy/Water/Land Nexus

    SciTech Connect (OSTI)

    Not Available

    2014-10-01

    This periodic publication summarizes insights from the body of NREL analysis work. In this issue of Analysis Insights, we examine the implications of our energy choices on water, land use, climate, developmental goals, and other factors. Collectively, NREL's work helps policymakers and investors understand and evaluate energy choices within the complex web of connections, or nexus, between energy, water, and land.

  11. Molecular Insights into the Biosynthesis of the F420 Coenzyme

    SciTech Connect (OSTI)

    Forouhar,F.; Abashidze, M.; Xu, H.; Grochowski, L.; Seetharaman, J.; Hussain, M.; Kuzin, A.; Chen, Y.; Zhou, W.; et al

    2008-01-01

    Coenzyme F420, a hydride carrier, is found in Archaea and some bacteria and has crucial roles in methanogenesis, antibiotic biosynthesis, DNA repair, and activation of antitubercular compounds. CofD, 2-phospho-l-lactate transferase, catalyzes the last step in the biosynthesis of F420-0 (F420 without polyglutamate), by transferring the lactyl phosphate moiety of lactyl(2)diphospho-(5')guanosine to 7,8-didemethyl-8-hydroxy-5-deazariboflavin ribitol (Fo). CofD is highly conserved among F420-producing organisms, and weak sequence homologs are also found in non-F420-producing organisms. This superfamily does not share any recognizable sequence conservation with other proteins. Here we report the first crystal structures of CofD, the free enzyme and two ternary complexes, with Fo and Pi or with Fo and GDP, from Methanosarcina mazei. The active site is located at the C-terminal end of a Rossmann fold core, and three large insertions make significant contributions to the active site and dimer formation. The observed binding modes of Fo and GDP can explain known biochemical properties of CofD and are also supported by our binding assays. The structures provide significant molecular insights into the biosynthesis of the F420 coenzyme. Large structural differences in the active site region of the non-F420-producing CofD homologs suggest that they catalyze a different biochemical reaction.

  12. Insights from twenty years of bacterial genome sequencing

    SciTech Connect (OSTI)

    Land, Miriam L; Hauser, Loren John; Jun, Se Ran; Nookaew, Intawat; Leuze, Michael Rex; Ahn, Tae-Hyuk; Karpinets, Tatiana V; Lund, Ole; Kora, Guruprasad H; Wassenaar, Trudy; Poudel, Suresh; Ussery, David W

    2015-01-01

    Since the first two complete bacterial genome sequences were published in 1995, the science of bacteria has dramatically changed. Using third-generation DNA sequencing, it is possible to completely sequence a bacterial genome in a few hours and identify some types of methylation sites along the genome as well. Sequencing of bacterial genome sequences is now a standard procedure, and the information from tens of thousands of bacterial genomes has had a major impact on our views of the bacterial world. In this review, we explore a series of questions to highlight some insights that comparative genomics has produced. To date, there are genome sequences available from 50 different bacterial phyla and 11 different archaeal phyla. However, the distribution is quite skewed towards a few phyla that contain model organisms. But the breadth is continuing to improve, with projects dedicated to filling in less characterized taxonomic groups. The clustered regularly interspaced short palindromic repeats (CRISPR)-Cas system provides bacteria with immunity against viruses, which outnumber bacteria by tenfold. How fast can we go? Second-generation sequencing has produced a large number of draft genomes (close to 90 % of bacterial genomes in GenBank are currently not complete); third-generation sequencing can potentially produce a finished genome in a few hours, and at the same time provide methlylation sites along the entire chromosome. The diversity of bacterial communities is extensive as is evident from the genome sequences available from 50 different bacterial phyla and 11 different archaeal phyla. Genome sequencing can help in classifying an organism, and in the case where multiple genomes of the same species are available, it is possible to calculate the pan- and core genomes; comparison of more than 2000 Escherichia coli genomes finds an E. coli core genome of about 3100 gene families and a total of about 89,000 different gene families. Why do we care about bacterial genome sequencing? There are many practical applications, such as genome-scale metabolic modeling, biosurveillance, bioforensics, and infectious disease epidemiology. In the near future, high-throughput sequencing of patient metagenomic samples could revolutionize medicine in terms of speed and accuracy of finding pathogens and knowing how to treat them.

  13. Insights On The Thermal History Of The Valles Caldera, New Mexico...

    Open Energy Info (EERE)

    Insights On The Thermal History Of The Valles Caldera, New Mexico- Evidence From Zircon Fission-Track Analysis Jump to: navigation, search OpenEI Reference LibraryAdd to library...

  14. Structure of the FANCI-FANCD2 Complex: Insights into the Fanconi...

    Office of Scientific and Technical Information (OSTI)

    Title: Structure of the FANCI-FANCD2 Complex: Insights into the Fanconi Anemia DNA Repair Pathway Fanconi anemia is a cancer predisposition syndrome caused by defects in the repair ...

  15. CO oxidation on gold-supported iron oxides: New insights into...

    Office of Scientific and Technical Information (OSTI)

    CO oxidation on gold-supported iron oxides: New insights into strong oxide-metal ... This content will become publicly available on July 14, 2016 Title: CO oxidation on gold-s...

  16. Building America Whole-House Solutions for New Homes: Insight Homes, Seaford, Delaware

    Broader source: Energy.gov [DOE]

    Case study of Insight Homes, who worked with the Building America research partner IBACOS to design HERS-49 homes with high-efficiency HVAC, ducts in insulated crawl spaces, raised heel trusses, dehumidifiers, and central manifold plumbing.

  17. New insights from in-situ electron microscopy into capacity loss mechanisms

    Office of Scientific and Technical Information (OSTI)

    in Li-ion batteries with Al anodes. (Journal Article) | SciTech Connect New insights from in-situ electron microscopy into capacity loss mechanisms in Li-ion batteries with Al anodes. Citation Details In-Document Search Title: New insights from in-situ electron microscopy into capacity loss mechanisms in Li-ion batteries with Al anodes. Abstract not provided. Authors: Talin, Albert Alec ; Bartelt, Norman Charles ; Leite, Marina ; Ruzmetov, Dmitry ; Zhipeng, Li ; Bendersky, Leonid Publication

  18. Structural and Mechanistic Insights into C-P Bond Hydrolysis by

    Office of Scientific and Technical Information (OSTI)

    Phosphonoacetate Hydrolase (Journal Article) | SciTech Connect Structural and Mechanistic Insights into C-P Bond Hydrolysis by Phosphonoacetate Hydrolase Citation Details In-Document Search Title: Structural and Mechanistic Insights into C-P Bond Hydrolysis by Phosphonoacetate Hydrolase Bacteria have evolved pathways to metabolize phosphonates as a nutrient source for phosphorus. In Sinorhizobium meliloti 1021, 2-aminoethylphosphonate is catabolized to phosphonoacetate, which is converted to

  19. Structure of a helicase–helicase loader complex reveals insights into the

    Office of Scientific and Technical Information (OSTI)

    mechanism of bacterial primosome assembly (Journal Article) | SciTech Connect Structure of a helicase–helicase loader complex reveals insights into the mechanism of bacterial primosome assembly Citation Details In-Document Search Title: Structure of a helicase–helicase loader complex reveals insights into the mechanism of bacterial primosome assembly Authors: Liu, Bin ; Eliason, William K. ; Steitz, Thomas A. [1] ; HHMI) [2] + Show Author Affiliations (Yale) ( Publication Date: 2013-09-26

  20. Closer to HIV vaccine goal with new insight into viral factors

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

    Closer to HIV vaccine goal with new insight into viral factors New insight into viral factors that facilitate HIV transmission Understanding viral factors that facilitate transmission of HIV infection is critical to developing vaccines. February 14, 2012 Scientists work at the National Stable Isotope Resource LANL scientists found that the infected donor's predominant virus subpopulation in the genital tract differed from that in the blood. Comparing the HIV sequence population in each newly

  1. Structural Insight into HIV-1 Restriction by MxB (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Insight into HIV-1 Restriction by MxB Citation Details In-Document Search Title: Structural Insight into HIV-1 Restriction by MxB Authors: Fribourgh, Jennifer L. ; Nguyen, Henry C. ; Matreyek, Kenneth A. ; Alvarez, Frances Joan D. ; Summers, Brady J. ; Dewdney, Tamaria G. ; Aiken, Christopher ; Zhang, Peijun ; Engelman, Alan ; Xiong, Yong [1] ; DFCI) [2] ; Pitt) [2] ; Vanderbilt-MED) [2] + Show Author Affiliations (Yale) ( Publication Date: 2015-02-19 OSTI Identifier: 1164180

  2. A Minnesota Blizzard Provides Insight into Utility-Scale Wind Turbine Wakes

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

    | Department of Energy A Minnesota Blizzard Provides Insight into Utility-Scale Wind Turbine Wakes A Minnesota Blizzard Provides Insight into Utility-Scale Wind Turbine Wakes September 12, 2014 - 11:22am Addthis A blurry, black and white photo of wind turbines in a blizzard. Jiarong Hong can hardly wait for Minnesota's harsh winters to return. That's because the University of Minnesota's mechanical engineering assistant professor and St. Anthony Falls Laboratory researcher uses blizzard

  3. U.S. Solar Market Insight: 2014 Year In Review (Executive Summary)

    Broader source: Energy.gov [DOE]

    U.S. Solar Market Insight is a quarterly publication of the Solar Energy Industries Association (SEIA) and GTM Research. Each quarter, they survey nearly 200 installers, manufacturers, utilities, and state agencies to collect granular data on photovoltaic (PV) and concentrating solar. These data provide the backbone of the Solar Market Insight report, in which they identify and analyze trends in U.S. solar demand, manufacturing, and pricing by state and market segment. This analysis also forecasts demand over the next five years. As the U.S. solar market expands, it is the hope that Solar Market Insight will provide an invaluable decision-making tool for installers, suppliers, investors, policymakers, and advocates alike.

  4. Insight in the Brain: The Cognitive and Neural Bases of Eureka Moments

    SciTech Connect (OSTI)

    Beeman, Mark

    2013-04-03

    Where do new ideas come from? Although all new ideas build on old, this can happen in different ways. Some new ideas, or solutions to old problems, are achieved through methodical, analytical processing. Other new ideas come about in a sudden burst of insight, often based on or generating a restructured view of the problem itself. Behavioral, brain imaging, and eye-tracking results all reveal distinct cortical networks contributing to insight solving, as contrasted with analytic solving. Consistently, the way in which people solve problems appears to relate to the way they engage attention and cognitive control: across time, across moods, and across individuals. Insight is favored when people can disengage from strong stimuli and associations - figuratively and literally looking "outside the box" of the problem to suddenly solve with a new idea.

  5. New insights from in-situ electron microscopy into capacity loss mechanisms

    Office of Scientific and Technical Information (OSTI)

    in all-solid-state Li-ion batteries with Al anodes. (Journal Article) | SciTech Connect New insights from in-situ electron microscopy into capacity loss mechanisms in all-solid-state Li-ion batteries with Al anodes. Citation Details In-Document Search Title: New insights from in-situ electron microscopy into capacity loss mechanisms in all-solid-state Li-ion batteries with Al anodes. Abstract not provided. Authors: Talin, Albert Alec ; Leite, Marina ; Ruzmetov, Dmitry ; Li, Zhipeng ;

  6. Structural insight into the regulation of MOF in the male-specific lethal

    Office of Scientific and Technical Information (OSTI)

    complex and the non-specific lethal complex (Journal Article) | SciTech Connect Structural insight into the regulation of MOF in the male-specific lethal complex and the non-specific lethal complex Citation Details In-Document Search Title: Structural insight into the regulation of MOF in the male-specific lethal complex and the non-specific lethal complex Authors: Huang, Jing ; Wan, Bingbing ; Wu, Lipeng ; Yang, Yuting ; Dou, Yali ; Lei, Ming [1] + Show Author Affiliations (Michigan-Med)

  7. Structure of the FANCI-FANCD2 Complex: Insights into the Fanconi Anemia DNA

    Office of Scientific and Technical Information (OSTI)

    Repair Pathway (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Structure of the FANCI-FANCD2 Complex: Insights into the Fanconi Anemia DNA Repair Pathway Citation Details In-Document Search Title: Structure of the FANCI-FANCD2 Complex: Insights into the Fanconi Anemia DNA Repair Pathway Fanconi anemia is a cancer predisposition syndrome caused by defects in the repair of DNA interstrand cross-links (ICLs). Central to this pathway is the Fanconi anemia

  8. CO oxidation on gold-supported iron oxides: New insights into strong

    Office of Scientific and Technical Information (OSTI)

    oxide-metal interactions (Journal Article) | SciTech Connect CO oxidation on gold-supported iron oxides: New insights into strong oxide-metal interactions Citation Details In-Document Search This content will become publicly available on July 14, 2016 Title: CO oxidation on gold-supported iron oxides: New insights into strong oxide-metal interactions Very active FeOx-Au catalysts for CO oxidation are obtained after depositing nanoparticles of FeO, Fe3O4, and Fe2O3 on a Au(111) substrate.

  9. Expedition Provides New Insight on Gas Hydrates in Gulf of Mexico |

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

    Department of Energy Expedition Provides New Insight on Gas Hydrates in Gulf of Mexico Expedition Provides New Insight on Gas Hydrates in Gulf of Mexico May 14, 2013 - 10:00am Addthis USGS technicians Eric Moore and Jenny White deploy instruments at the start of a seismic survey to explore gas hydrates in the deepwater Gulf of Mexico from April to May 2013 | Photo courtesy of USGS USGS technicians Eric Moore and Jenny White deploy instruments at the start of a seismic survey to explore gas

  10. Structural and mechanistic insights into Mcm2-7 double-hexamer assembly and

    Office of Scientific and Technical Information (OSTI)

    function (Journal Article) | DOE PAGES Structural and mechanistic insights into Mcm2-7 double-hexamer assembly and function « Prev Next » Title: Structural and mechanistic insights into Mcm2-7 double-hexamer assembly and function Eukaryotic cells license each DNA replication origin during G1 phase by assembling a prereplication complex that contains a Mcm2-7 (minichromosome maintenance proteins 2-7) double hexamer. During S phase, each Mcm2-7 hexamer forms the core of a replicative DNA

  11. Insights from Smart Meters: The Potential for Peak Hour Savings from

    Office of Environmental Management (EM)

    Behavior-Based Programs | Department of Energy The Potential for Peak Hour Savings from Behavior-Based Programs Insights from Smart Meters: The Potential for Peak Hour Savings from Behavior-Based Programs This report focuses on one example of the value that analysis of this data can provide: insights into whether BB efficiency programs have the potential to provide peak-hour energy savings. This is important because there is increasing interest in using BB programs as a stand-alone peak

  12. INSIGHT On Transforming Our Global Energy Economy, 2015 Annual Report (Brochure)

    SciTech Connect (OSTI)

    Not Available

    2015-03-01

    From its inception, JISEA has provided critical clarity and insights to inform decision making through leading-edge interdisciplinary research and objective, credible, cross-functional analysis. JISEA, drawing on the unique capabilities of its founding institutions and research affiliates around the world, continues to inform the landscape of transformation.

  13. Best Practices Case Study: Insight Homes - Seaford, DE, Deep Creek, DE

    SciTech Connect (OSTI)

    2011-09-01

    Case Study of Insight Homes who built 36 identical houses, three at a time, with increasing energy-efficiency measures in each generation until they arrived at the most cost-effective mix. Advanced framing and high-efficiency HVAC located in a sealed, insulated crawlspace helped them achieve a HERS scores of 49 to 56 and average utility bills of $93 per year.

  14. Analysis Insights, August 2015: Sustainable Transportation; NREL (National Renewable Energy Laboratory)

    SciTech Connect (OSTI)

    2015-08-01

    NREL Analysis Insights mines our body of analysis work to synthesize topical insights and key findings. In this issue, we examine transportation systems, alternative fuels, and implications of increasing electrification of transit. Moving people and goods from point A to B has never been easier, but our current transportation systems also take a toll on our environment. Transportation currently accounts for 71% of total U.S. petroleum use and 33% of the nation’s total carbon emissions. With new technology, can we make our transportation system cleaner and more cost effective? NREL is applying its analytical expertise and imagination to do just that. Solutions start with systems thinking. Connecting the dots between physical components - vehicles, fueling stations, and highways - and institutional components - traffic laws, regulations, and vehicle standards - helps illuminate solutions that address the needs of the transportation system's many stakeholders.

  15. Fundamental New Insight Into Material for Optical-Switching | U.S. DOE

    Office of Science (SC) Website

    Office of Science (SC) Fundamental New Insight Into Material for Optical-Switching Basic Energy Sciences (BES) BES Home About Research Facilities Science Highlights Benefits of BES Funding Opportunities Basic Energy Sciences Advisory Committee (BESAC) Community Resources Contact Information Basic Energy Sciences U.S. Department of Energy SC-22/Germantown Building 1000 Independence Ave., SW Washington, DC 20585 P: (301) 903-3081 F: (301) 903-6594 E: Email Us More Information » 09.01.13

  16. Managing aging in nuclear power plants: Insights from NRC maintenance team inspection reports

    SciTech Connect (OSTI)

    Fresco, A.; Subudhi, M.; Gunther, W.; Grove, E.; Taylor, J.

    1993-12-01

    A plant`s maintenance program is the principal vehicle through which age-related degradation is managed. From 1988 to 1991, the NRC evaluated the maintenance program of every nuclear power plant in the United States. Forty-four out of a total of 67 of the reports issued on these in-depth team inspections were reviewed for insights into the strengths and weaknesses of the programs as related to the need to understand and manage the effects of aging on nuclear plant systems, structures, and components. Relevant information was extracted from these inspection reports and sorted into several categories, including Specific Aging Insights, Preventive Maintenance, Predictive Maintenance and Condition Monitoring, Post Maintenance Testing, Failure Trending, Root Cause Analysis and Usage of Probabilistic Risk Assessment in the Maintenance Process. Specific examples of inspection and monitoring techniques successfully used by utilities to detect degradation due to aging have been identified. The information also was sorted according to systems and components, including: Auxiliary Feedwater, Main Feedwater, High Pressure Injection for both BWRs and PWRs, Service Water, Instrument Air, and Emergency Diesel Generator Air Start Systems, and Emergency Diesel Generators Air Start Systems, emergency diesel generators, electrical components such as switchgear, breakers, relays, and motor control centers, motor operated valves and check valves. This information was compared to insights gained from the Nuclear Plant Aging Research (NPAR) Program. Attributes of plant maintenance programs where the NRC inspectors felt that improvement was needed to properly address the aging issue also are discussed.

  17. Insights from Smart Meters: The Potential for Peak-Hour Savings from Behavior-Based Programs

    SciTech Connect (OSTI)

    Todd, Annika; Perry, Michael; Smith, Brian; Sullivan, Michael; Cappers, Peter; Goldman, Charles

    2014-03-25

    The rollout of smart meters in the last several years has opened up new forms of previously unavailable energy data. Many utilities are now able in real-time to capture granular, household level interval usage data at very high-frequency levels for a large proportion of their residential and small commercial customer population. This can be linked to other time and locationspecific information, providing vast, constantly growing streams of rich data (sometimes referred to by the recently popular buzz word, big data). Within the energy industry there is increasing interest in tapping into the opportunities that these data can provide. What can we do with all of these data? The richness and granularity of these data enable many types of creative and cutting-edge analytics. Technically sophisticated and rigorous statistical techniques can be used to pull interesting insights out of this highfrequency, human-focused data. We at LBNL are calling this behavior analytics. This kind of analytics has the potential to provide tremendous value to a wide range of energy programs. For example, highly disaggregated and heterogeneous information about actual energy use would allow energy efficiency (EE) and/or demand response (DR) program implementers to target specific programs to specific households; would enable evaluation, measurement and verification (EM&V) of energy efficiency programs to be performed on a much shorter time horizon than was previously possible; and would provide better insights in to the energy and peak hour savings associated with specifics types of EE and DR programs (e.g., behavior-based (BB) programs). In this series, Insights from Smart Meters, we will present concrete, illustrative examples of the type of value that insights from behavior analytics of these data can provide (as well as pointing out its limitations). We will supply several types of key findings, including: Novel results, which answer questions the industry previously was unable to answer; Proof-of-concept analytics tools that can be adapted and used by others; and Guidelines and protocols that summarize analytical best practices. This report focuses on one example of the kind of value that analysis of this data can provide: insights into whether behavior-based (BB) efficiency programs have the potential to provide peak-hour energy savings.

  18. Oak Ridge Centers for Manufacturing Technology „ Insights from Jack Cook

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

    Insights from Jack Cook The long-term partner with Dave Beck from Y-12, as well as Co-Director of the Oak Ridge Centers for Manufacturing Technology (ORMCT), was Jack Cook of Oak Ridge National Laboratory"s (ORNL"s) Engineering Technology Division. Jack had accepted the position when Dave Bartine, whom Dave Beck had asked at the very beginning to co-direct ORCMT, left to become chief scientist for NASA"s Kennedy Space Flight Center in Florida. Jack recalled that John Jones had

  19. Insights on activation enthalpy for non-Schmid slip in body-centered cubic metals

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

    Hale, Lucas M.; Lim, Hojun; Zimmerman, Jonathan A.; Battaile, Corbett C.; Weinberger, Christopher R.

    2014-12-18

    We use insights gained from atomistic simulation to develop an activation enthalpy model for dislocation slip in body-centered cubic iron. Furthermore, using a classical potential that predicts dislocation core stabilities consistent with ab initio predictions, we quantify the non-Schmid stress-dependent effects of slip. The kink-pair activation enthalpy is evaluated and a model is identified as a function of the general stress state. Thus, our model enlarges the applicability of the classic Kocks activation enthalpy model to materials with non-Schmid behavior.

  20. Supramolecular polymerization of a prebiotic nucleoside provides insights into the creation of sequence-controlled polymers

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

    Wang, Jun; Bonnesen, Peter V; Rangel, E.; Vallejo, E.; Sanchez-Castillo, Ariadna; Cleaves, II, H. James; Baddorf, Arthur P; Sumpter, Bobby G; Pan, Minghu; Maksymovych, Petro; et al

    2016-01-04

    The self-assembly of a nucleoside on Au(111) was studied to ascertain whether polymerization on well-defined substrates constitutes a promising approach for making sequence-controlled polymers. Scanning tunneling microscopy and density functional theory were used to investigate the self-assembly on Au(111) of (RS)-N9-(2,3-dihydroxypropyl)adenine (DHPA), a plausibly prebiotic nucleoside analog of adenosine. It is found that DHPA molecules self-assemble into a hydrogen-bonded polymer that grows almost exclusively along the herringbone reconstruction pattern, has a two component sequence that is repeated over hundreds of nanometers, and is erasable with electron-induced excitation. Although the sequence is simple, more complicated ones are envisioned if two ormore » more nucleoside types are combined. Because polymerization occurs on a substrate in a dry environment, the success of each combination can be gauged with high-resolution imaging and accurate modeling techniques. The resulting characteristics make nucleoside self-assembly on a substrate an attractive approach for designing sequence-controlled polymers. Moreover, by choosing plausibly prebiotic nucleosides, insights may be provided into how nature created the first sequence-controlled polymers capable of storing information. Such insights, in turn, can inspire new ways of synthesizing sequence-controlled polymers.« less

  1. Mobilizing Public Markets to Finance Renewable Energy Projects: Insights from Expert Stakeholders

    SciTech Connect (OSTI)

    Schwabe, P.; Mendelsohn, M.; Mormann, F.; Arent, D. J.

    2012-06-01

    Financing renewable energy projects in the United States can be a complex process. Most equity investment in new renewable power production facilities is supported by tax credits and accelerated depreciation benefits, and is constrained by the pool of potential investors that can fully use these tax benefits and are willing to engage in complex financial structures. For debt financing, non-government lending has largely been provided by foreign banks that may be under future lending constraints due to economic and regulatory conditions. To discuss renewable energy financing challenges and to identify new sources of capital to the U.S. market, two roundtable discussions were held with renewable energy and financing experts in April 2012. This report summarizes the key messages of those discussions and is designed to provide insights to the U.S. market and inform the international conversation on renewable energy financing innovations.

  2. Design Insights for Tuning the Electrocatalytic Activity of Perovskite Oxides for the Oxygen Evolution Reaction

    SciTech Connect (OSTI)

    Malkhandi, S; Trinh, P; Manohar, AK; Manivannan, A; Balasubramanian, M; Prakash, GKS; Narayanan, SR

    2015-04-16

    Rechargeable metal-air batteries and water electrolyzers based on aqueous alkaline electrolytes hold the potential to be sustainable solutions to address the challenge of storing large amounts of electrical energy generated from solar and wind resources. For these batteries and electrolyzers to be economically viable, it is essential to have efficient, durable, and inexpensive electrocatalysts for the oxygen evolution reaction. In this article, we describe new insights for predicting and tuning the activity of inexpensive transition metal oxides for designing efficient and inexpensive electrocatalysts. We have focused on understanding the factors determining the electrocatalytic activity for oxygen evolution in a strong alkaline medium. To this end, we have conducted a systematic investigation of nanophase calcium-doped lanthanum cobalt manganese oxide, an example of a mixed metal oxide that can be tuned for its electrocatalytic activity by varying the transition metal composition. Using X-ray absorption spectroscopy (XANES), X-ray photoelectron spectroscopy (XPS), electrochemical polarization experiments, and analysis of mechanisms, we have identified the key determinants of electrocatalytic activity. We have found that the Tafel slopes are determined by the oxidation states and the bond energy of the surface intermediates of Mn-OH and Co-OH bonds while the catalytic activity increased with the average d-electron occupancy of the sigma* orbital of the M-OH bond. We anticipate that such understanding will be very useful in predicting the behavior of other transition metal oxide catalysts.

  3. Insights into the structure of mixed CO2/CH4 in gas hydrates

    SciTech Connect (OSTI)

    Everett, Susan M; Rawn, Claudia J; Chakoumakos, Bryan C; Keffer, David J.; Huq, Ashfia; Phelps, Tommy Joe

    2015-01-01

    The exchange of CO2 for CH4 in natural gas hydrates is an attractive approach to methane for energy production while simultaneously sequestering CO2. In addition to the energy and environmental implications, the solid solution of clathrate hydrate (CH4)1-x(CO2)x 5.75H2O provides a model system to study how the distinct bonding and shapes of CH4 and CO2 influence the structure and properties of the compound. High-resolution neutron diffraction was used to examine mixed CO2/CH4 gas hydrates. CO2-rich hydrates had smaller lattice parameters, which were attributed to the higher affinity of the CO2 molecule interacting with H2O molecules that form the surrounding cages, and resulted in a reduction in the unit cell volume. Experimental nuclear scattering densities illustrate how the cage occupants and energy landscape change with composition. These results provide important insights on the impact and mechanisms for exchanging CH4 and CO2.

  4. Insights From Laboratory Experiments On Simulated Faults With Application To Fracture Evolution In Geothermal Systems

    SciTech Connect (OSTI)

    Stephen L. Karner, Ph.D

    2006-06-01

    Laboratory experiments provide a wealth of information related to mechanics of fracture initiation, fracture propagation processes, factors influencing fault strength, and spatio-temporal evolution of fracture properties. Much of the existing literature reports on laboratory studies involving a coupling of thermal, hydraulic, mechanical, and/or chemical processes. As these processes operate within subsurface environments exploited for their energy resource, laboratory results provide insights into factors influencing the mechanical and hydraulic properties of geothermal systems. I report on laboratory observations of strength and fluid transport properties during deformation of simulated faults. The results show systematic trends that vary with stress state, deformation rate, thermal conditions, fluid content, and rock composition. When related to geophysical and geologic measurements obtained from engineered geothermal systems (e.g. microseismicity, wellbore studies, tracer analysis), laboratory results provide a means by which the evolving thermal reservoir can be interpreted in terms of physico-chemical processes. For example, estimates of energy release and microearthquake locations from seismic moment tensor analysis can be related to strength variations observed from friction experiments. Such correlations between laboratory and field data allow for better interpretations about the evolving mechanical and fluid transport properties in the geothermal reservoir ultimately leading to improvements in managing the resource.

  5. Computational insights of water droplet transport on graphene sheet with chemical density

    SciTech Connect (OSTI)

    Zhang, Liuyang; Wang, Xianqiao, E-mail: xqwang@uga.edu [College of Engineering and NanoSEC, University of Georgia, Athens, Georgia 30602 (United States)

    2014-05-21

    Surface gradient has been emerging as an intriguing technique for nanoscale particle manipulation and transportation. Owing to its outstanding and stable chemical properties, graphene with covalently bonded chemical groups represents extraordinary potential for the investigation of nanoscale transport in the area of physics and biology. Here, we employ molecular dynamics simulations to investigate the fundamental mechanism of utilizing a chemical density on a graphene sheet to control water droplet motions on it. Simulation results have demonstrated that the binding energy difference among distinct segment of graphene in terms of interaction between the covalently bonded oxygen atoms on graphene and the water molecules provides a fundamental driving force to transport the water droplet across the graphene sheet. Also, the velocity of the water droplet has showed a strong dependence on the relative concentration of oxygen atoms between successive segments. Furthermore, a multi-direction channel provides insights to guide the transportation of objects towards a targeted position, separating the mixtures with a system of specific chemical functionalization. Our findings shed illuminating lights on the surface gradient method and therefore provide a feasible way to control nanoscale motion on the surface and mimic the channelless microfluidics.

  6. Water versus DNA: New insights into proton track-structure modeling in radiobiology and radiotherapy

    SciTech Connect (OSTI)

    Champion, Christophe; Galassi, Mariel E.; Weck, Philippe F.; Fojon, Omar A.; Hanssen, Jocelyn; Rivarola, Roberto D.

    2015-09-25

    Water is a common surrogate of DNA for modelling the charged particle-induced ionizing processes in living tissue exposed to radiations. The present study aims at scrutinizing the validity of this approximation and then revealing new insights into proton-induced energy transfers by a comparative analysis between water and realistic biological medium. In this context, a self-consistent quantum mechanical modelling of the ionization and electron capture processes is reported within the continuum distorted wave-eikonal initial state framework for both isolated water molecules and DNA components impacted by proton beams. Their respective probability of occurrence-expressed in terms of total cross sections-as well as their energetic signature (potential and kinetic) are assessed in order to clearly emphasize the differences existing between realistic building blocks of living matter and the controverted water-medium surrogate. Thus the consequences in radiobiology and radiotherapy will be discussed in particular in view of treatment planning refinement aiming at better radiotherapy strategies.

  7. Section 1603 Treasury Grant Expiration. Industry Insight on Financing and Market Implications

    SciTech Connect (OSTI)

    Mendelsohn, Michael; Harper, John

    2012-06-01

    In the wake of the 2008-2009 financial crises, tax equity investors largely withdrew from the market, resulting in stagnation of project development. In response, Congress established the Treasury grant program pursuant to Section 1603 of the American Recovery and Reinvestment Act (Section 1603 Program) to offer a cash payment in lieu of a production and investment tax credit. This study addresses the likely project financing and market impacts from the expiration of the Section 1603 Program. The authors assembled an array of insights offered by financial executives active in the renewable energy (RE) market during conference panel discussions and in presentations, direct interviews, and email correspondences. This analysis found that the Section 1603 Program alleviated the need to monetize the tax credit incentives through specialized investors, helped lower the transaction and financing costs associated with renewable electricity projects, and generally supported an extensive build-out of renewable power generation capacity. With the expiration of the Section 1603 Program, smaller or less-established renewable power developers will have more difficulty attracting needed financial capital and completing their projects, development of projects relying on newer or 'innovative' technologies will likely slow as traditional tax equity investors are known to be highly averse to technology risk in the projects they fund, and, finally, projects relying on tax equity may be more expensive to develop due to higher transaction costs and potentially higher yields required to attract tax equity.

  8. Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2

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

    Qiu, Wei; Lam, Robert; Voytyuk, Oleksandr; Romanov, Vladimir; Gordon, Roni; Gebremeskel, Simon; Vodsedalek, Jakub; Thompson, Christine; Beletskaya, Irina; Battaile, Kevin P.; et al

    2014-07-31

    The poly(ADP-ribose) polymerase (PARP) family represents a new class of therapeutic targets with diverse potential disease indications. PARP1 and PARP2 inhibitors have been developed for breast and ovarian tumors manifesting double-stranded DNA-repair defects, whereas tankyrase 1 and 2 (TNKS1 and TNKS2, also known as PARP5a and PARP5b, respectively) inhibitors have been developed for tumors with elevated β-catenin activity. As the clinical relevance of PARP inhibitors continues to be actively explored, there is heightened interest in the design of selective inhibitors based on the detailed structural features of how small-molecule inhibitors bind to each of the PARP family members. Here, themore » high-resolution crystal structures of the human TNKS2 PARP domain in complex with 16 various PARP inhibitors are reported, including the compounds BSI-201, AZD-2281 and ABT-888, which are currently in Phase 2 or 3 clinical trials. These structures provide insight into the inhibitor-binding modes for the tankyrase PARP domain and valuable information to guide the rational design of future tankyrase-specific inhibitors.« less

  9. Water versus DNA: New insights into proton track-structure modeling in radiobiology and radiotherapy

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

    Champion, Christophe; Quinto, Michele A.; Monti, Juan M.; Galassi, Mariel E.; Weck, Philippe F.; Fojon, Omar A.; Hanssen, Jocelyn; Rivarola, Roberto D.

    2015-09-25

    Water is a common surrogate of DNA for modelling the charged particle-induced ionizing processes in living tissue exposed to radiations. The present study aims at scrutinizing the validity of this approximation and then revealing new insights into proton-induced energy transfers by a comparative analysis between water and realistic biological medium. In this context, a self-consistent quantum mechanical modelling of the ionization and electron capture processes is reported within the continuum distorted wave-eikonal initial state framework for both isolated water molecules and DNA components impacted by proton beams. Their respective probability of occurrence-expressed in terms of total cross sections-as well asmore » their energetic signature (potential and kinetic) are assessed in order to clearly emphasize the differences existing between realistic building blocks of living matter and the controverted water-medium surrogate. Thus the consequences in radiobiology and radiotherapy will be discussed in particular in view of treatment planning refinement aiming at better radiotherapy strategies.« less

  10. Section 1603 Treasury Grant Expiration: Industry Insight on Financing and Market Implications

    SciTech Connect (OSTI)

    Mendelsohn, M.; Harper, J.

    2012-06-01

    In the wake of the 2008-2009 financial crises, tax equity investors largely withdrew from the market, resulting in stagnation of project development. In response, Congress established the Treasury grant program pursuant to Section 1603 of the American Recovery and Reinvestment Act (..Section..1603 Program) to offer a cash payment in lieu of a production and investment tax credit. This study addresses the likely project financing and market impacts from the expiration of the ..Section..1603 Program. The authors assembled an array of insights offered by financial executives active in the renewable energy (RE) market during conference panel discussions and in presentations, direct interviews, and email correspondences. This analysis found that the ..Section..1603 Program alleviated the need to monetize the tax credit incentives through specialized investors, helped lower the transaction and financing costs associated with renewable electricity projects, and generally supported an extensive build-out of renewable power generation capacity. With the expiration of the ..Section..1603 Program, smaller or less-established renewable power developers will have more difficulty attracting needed financial capital and completing their projects, development of projects relying on newer or 'innovative' technologies will likely slow as traditional tax equity investors are known to be highly averse to technology risk in the projects they fund, and, finally, projects relying on tax equity may be more expensive to develop due to higher transaction costs and potentially higher yields required to attract tax equity.

  11. Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2

    SciTech Connect (OSTI)

    Qiu, Wei; Lam, Robert; Voytyuk, Oleksandr; Romanov, Vladimir; Gordon, Roni; Gebremeskel, Simon; Vodsedalek, Jakub; Thompson, Christine; Beletskaya, Irina; Battaile, Kevin P.; Pai, Emil F.; Rottapel, Robert; Chirgadze, Nickolay Y.

    2014-07-31

    The poly(ADP-ribose) polymerase (PARP) family represents a new class of therapeutic targets with diverse potential disease indications. PARP1 and PARP2 inhibitors have been developed for breast and ovarian tumors manifesting double-stranded DNA-repair defects, whereas tankyrase 1 and 2 (TNKS1 and TNKS2, also known as PARP5a and PARP5b, respectively) inhibitors have been developed for tumors with elevated ?-catenin activity. As the clinical relevance of PARP inhibitors continues to be actively explored, there is heightened interest in the design of selective inhibitors based on the detailed structural features of how small-molecule inhibitors bind to each of the PARP family members. Here, the high-resolution crystal structures of the human TNKS2 PARP domain in complex with 16 various PARP inhibitors are reported, including the compounds BSI-201, AZD-2281 and ABT-888, which are currently in Phase 2 or 3 clinical trials. These structures provide insight into the inhibitor-binding modes for the tankyrase PARP domain and valuable information to guide the rational design of future tankyrase-specific inhibitors.

  12. Structural and mechanistic insights into Mcm2-7 double-hexamer assembly and function

    SciTech Connect (OSTI)

    Sun, Jingchuan; Li, Huilin; Fernandez-Cid, Alejandra; Riera, Alberto; Tognetti, Sivia; Yuan, Zuanning; Stillman, Bruce; Speck, Christian

    2014-10-15

    Eukaryotic cells license each DNA replication origin during G1 phase by assembling a prereplication complex that contains a Mcm27 (minichromosome maintenance proteins 27) double hexamer. During S phase, each Mcm27 hexamer forms the core of a replicative DNA helicase. However, the mechanisms of origin licensing and helicase activation are poorly understood. The helicase loaders ORCCdc6 function to recruit a single Cdt1Mcm27 heptamer to replication origins prior to Cdt1 release and ORCCdc6Mcm27 complex formation, but how the second Mcm27 hexamer is recruited to promote double-hexamer formation is not well understood. Here, structural evidence for intermediates consisting of an ORCCdc6Mcm27 complex and an ORCCdc6Mcm27Mcm27 complex are reported, which together provide new insights into DNA licensing. Detailed structural analysis of the loaded Mcm27 double-hexamer complex demonstrates that the two hexamers are interlocked and misaligned along the DNA axis and lack ATP hydrolysis activity that is essential for DNA helicase activity. Moreover, we show that the head-to-head juxtaposition of the Mcm27 double hexamer generates a new protein interaction surface that creates a multisubunit-binding site for an S-phase protein kinase that is known to activate DNA replication. The data suggest how the double hexamer is assembled and how helicase activity is regulated during DNA licensing, with implications for cell cycle control of DNA replication and genome stability.

  13. ROBUSTNESS OF DECISION INSIGHTS UNDER ALTERNATIVE ALEATORY/EPISTEMIC UNCERTAINTY CLASSIFICATIONS

    SciTech Connect (OSTI)

    Unwin, Stephen D.; Eslinger, Paul W.; Johnson, Kenneth I.

    2013-09-22

    The Risk-Informed Safety Margin Characterization (RISMC) pathway is a set of activities defined under the U.S. Department of Energy Light Water Reactor Sustainability Program. The overarching objective of RISMC is to support plant life-extension decision-making by providing a state-of-knowledge characterization of safety margins in key systems, structures, and components (SSCs). A key technical challenge is to establish the conceptual and technical feasibility of analyzing safety margin in a risk-informed way, which, unlike conventionally defined deterministic margin analysis, would be founded on probabilistic characterizations of SSC performance. Evaluation of probabilistic safety margins will in general entail the uncertainty characterization both of the prospective challenge to the performance of an SSC ("load") and of its "capacity" to withstand that challenge. The RISMC framework contrasts sharply with the traditional probabilistic risk assessment (PRA) structure in that the underlying models are not inherently aleatory. Rather, they are largely deterministic physical/engineering models with ambiguities about the appropriate uncertainty classification of many model parameters. The current analysis demonstrates that if the distinction between epistemic and aleatory uncertainties is to be preserved in a RISMC-like modeling environment, then it is unlikely that analysis insights supporting decision-making will in general be robust under recategorization of input uncertainties. If it is believed there is a true conceptual distinction between epistemic and aleatory uncertainty (as opposed to the distinction being primarily a legacy of the PRA paradigm) then a consistent and defensible basis must be established by which to categorize input uncertainties.

  14. Promising Fuel Cycle Options for R&D – Results, Insights, and Future Directions

    SciTech Connect (OSTI)

    Wigeland, Roald Arnold

    2015-05-01

    The Fuel Cycle Options (FCO) campaign in the U.S. DOE Fuel Cycle Research & Development Program conducted a detailed evaluation and screening of nuclear fuel cycles. The process for this study was described at the 2014 ICAPP meeting. This paper reports on detailed insights and questions from the results of the study. The comprehensive study identified continuous recycle in fast reactors as the most promising option, using either U/Pu or U/TRU recycle, and potentially in combination with thermal reactors, as reported at the ICAPP 2014 meeting. This paper describes the examination of the results in detail that indicated that there was essentially no difference in benefit between U/Pu and U/TRU recycle, prompting questions about the desirability of pursuing the more complex U/TRU approach given that the estimated greater challenges for development and deployment. The results will be reported from the current effort that further explores what, if any, benefits of TRU recycle (minor actinides in addition to plutonium recycle) may be in order to inform decisions on future R&D directions. The study also identified continuous recycle using thorium-based fuel cycles as potentially promising, in either fast or thermal systems, but with lesser benefit. Detailed examination of these results indicated that the lesser benefit was confined to only a few of the evaluation metrics, identifying the conditions under which thorium-based fuel cycles would be promising to pursue. For the most promising fuel cycles, the FCO is also conducting analyses on the potential transition to such fuel cycles to identify the issues, challenges, and the timing for critical decisions that would need to be made to avoid unnecessary delay in deployment, including investigation of issues such as the effects of a temporary lack of plutonium fuel resources or supporting infrastructure. These studies are placed in the context of an overall analysis approach designed to provide comprehensive information to the decision-making process.

  15. Insights into proton-coupled electron transfer mechanisms of electrocatalytic H2 oxidation and production

    SciTech Connect (OSTI)

    Horvath, Samantha; Fernandez, Laura; Soudackov, Alexander V.; Hammes-Schiffer, Sharon

    2012-09-25

    The design of molecular electrocatalysts for H2 oxidation and production is important for the development of alternative renewable energy sources that are abundant, inexpensive, and environmentally benign. Recently nickel-based molecular electrocatalysts with pendant amines that act as proton relays for the nickel center were shown to effectively catalyze H2 oxidation and production. We developed a quantum mechanical approach for studying proton-coupled electron transfer processes in these types of molecular electrocatalysts. This theoretical approach is applied to a nickel-based catalyst in which phosphorous atoms are directly bonded to the nickel center and nitrogen atoms of the ligand rings act as proton relays. The cataly c step of interest involves electron transfer between the nickel complex and the electrode as well as intramolecular proton transfer between the nickel and nitrogen atoms. This process can occur sequentially, with either the electron or proton transferring first, or concertedly, with the electron and proton transferring simultaneously without a stable intermediate. The heterogeneous rate constants are calculated as functions of overpotential for the concerted electron-proton transfer reaction and the two electron transfer reactions in the sequential mechanisms. Our calculations illustrate that the concerted electron-proton transfer standard rate constant will increase as the equilibrium distance between the nickel and nitrogen atoms decreases and as the nitrogen atoms become more mobile to facilitate the contraction of this distance. This approach assists in the identification of the favored mechanisms under various experimental conditions and provides insight into the qualitative impact of substituents on the nitrogen and phosphorous atoms. This research was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under FWP 56073.

  16. Galaxy Evolution Insights from Spectral Modeling of Large Data Sets from the Sloan Digital Sky Survey

    SciTech Connect (OSTI)

    Hoversten, Erik A.; /Johns Hopkins U.

    2007-10-01

    This thesis centers on the use of spectral modeling techniques on data from the Sloan Digital Sky Survey (SDSS) to gain new insights into current questions in galaxy evolution. The SDSS provides a large, uniform, high quality data set which can be exploited in a number of ways. One avenue pursued here is to use the large sample size to measure precisely the mean properties of galaxies of increasingly narrow parameter ranges. The other route taken is to look for rare objects which open up for exploration new areas in galaxy parameter space. The crux of this thesis is revisiting the classical Kennicutt method for inferring the stellar initial mass function (IMF) from the integrated light properties of galaxies. A large data set ({approx} 10{sup 5} galaxies) from the SDSS DR4 is combined with more in-depth modeling and quantitative statistical analysis to search for systematic IMF variations as a function of galaxy luminosity. Galaxy H{alpha} equivalent widths are compared to a broadband color index to constrain the IMF. It is found that for the sample as a whole the best fitting IMF power law slope above 0.5 M{sub {circle_dot}} is {Lambda} = 1.5 {+-} 0.1 with the error dominated by systematics. Galaxies brighter than around M{sub r,0.1} = -20 (including galaxies like the Milky Way which has M{sub r,0.1} {approx} -21) are well fit by a universal {Lambda} {approx} 1.4 IMF, similar to the classical Salpeter slope, and smooth, exponential star formation histories (SFH). Fainter galaxies prefer steeper IMFs and the quality of the fits reveal that for these galaxies a universal IMF with smooth SFHs is actually a poor assumption. Related projects are also pursued. A targeted photometric search is conducted for strongly lensed Lyman break galaxies (LBG) similar to MS1512-cB58. The evolution of the photometric selection technique is described as are the results of spectroscopic follow-up of the best targets. The serendipitous discovery of two interesting blue compact dwarf galaxies is reported. These galaxies were identified by their extremely weak (< 150) [N {pi}] {lambda}6584 to H{alpha} emission line ratios. Abundance analysis from emission line fluxes reveals that these galaxies have gas phase oxygen abundances 12 + log(O/H) {approx} 7.7 to 7.9, not remarkably low, and near infrared imaging detects an old stellar population. However, the measured nitrogen to oxygen ratios log(N/O) < 1.7 are anomalously low for blue compact dwarf galaxies. These objects may be useful for understanding the chemical evolution of nitrogen.

  17. On the origin of the Hubble sequence: I. Insights on galaxy color migration from cosmological simulations

    SciTech Connect (OSTI)

    Cen, Renyue

    2014-01-20

    An analysis of more than 3000 galaxies resolved at better than 114 h{sup 1} pc at z = 0.62 in a 'LAOZI' cosmological adaptive mesh refinement hydrodynamic simulation is performed and insights are gained on star formation quenching and color migration. The vast majority of red galaxies are found to be within three virial radii of a larger galaxy at the onset of quenching, when the specific star formation rate experiences the sharpest decline to fall below ?10{sup 2}-10{sup 1} Gyr{sup 1} (depending on the redshift). Thus, we shall call this mechanism 'environment quenching', which encompasses satellite quenching. Two physical processes are largely responsible: Ram pressure stripping first disconnects the galaxy from the cold gas supply on large scales, followed by a longer period of cold gas starvation taking place in a high velocity-dispersion environment, in which during the early part of the process, the existing dense cold gas in the central region (?10 kpc) is consumed by in situ star formation. On average, quenching is found to be more efficient (i.e., a larger fraction of galaxies being quenched) but not faster (i.e., the duration being weakly dependent on the environment) in a denser environment. Throughout this quenching period and the ensuing one in the red sequence, galaxies follow nearly vertical tracks in the color-stellar mass diagram. In contrast, individual galaxies of all masses grow most of their stellar masses in the blue cloud, prior to the onset of quenching, and progressively more massive blue galaxies with already relatively older mean stellar ages continue to enter the red sequence. Consequently, correlations among observables of red galaxiessuch as the age-mass relation are largely inherited from their blue progenitors at the onset of quenching. While the color makeup of the entire galaxy population strongly depends on the environment, which is a direct result of environment quenching, physical properties of blue galaxies as a subpopulation show little dependence on the environment. A variety of predictions from the simulation are shown to be in accordance with extant observations.

  18. The Next Generation Nuclear Plant - Insights Gained from the INEEL Point Design Studies

    SciTech Connect (OSTI)

    Philip E. MacDonald; A. M. Baxter; P. D. Bayless; J. M. Bolin; H. D. Gougar; R. L. Moore; A. M. Ougouag; M. B. Richards; R. L. Sant; J. W. Sterbentz; W. K. Terry

    2004-08-01

    This paper provides the results of an assessment of two possible versions of the Next Generation Nuclear Plant (NGNP), a prismatic fuel type helium gas-cooled reactor and a pebble-bed fuel helium gas reactor. Insights gained regarding the strengths and weaknesses of the two designs are also discussed. Both designs will meet the three basic requirements that have been set for the NGNP: a coolant outlet temperature of 1000 C, passive safety, and a total power output consistent with that expected for commercial high-temperature gas-cooled reactors. Two major modifications of the current Gas Turbine- Modular Helium Reactor (GT-MHR) design were needed to obtain a prismatic block design with a 1000 C outlet temperature: reducing the bypass flow and better controlling the inlet coolant flow distribution to the core. The total power that could be obtained for different core heights without exceeding a peak transient fuel temperature of 1600 C during a high or low-pressure conduction cooldown event was calculated. With a coolant inlet temperature of 490 C and 10% nominal core bypass flow, it is estimated that the peak power for a 10-block high core is 686 MWt, for a 12-block high core is 786 MWt, and for a 14-block core is about 889 MWt. The core neutronics calculations showed that the NGNP will exhibit strongly negative Doppler and isothermal temperature coefficients of reactivity over the burnup cycle. In the event of rapid loss of the helium gas, there is negligible core reactivity change. However, water or steam ingress into the core coolant channels can produce a relatively large reactivity effect. Two versions of an annular pebble-bed NGNP have also been developed, a 300 and a 600 MWt module. From this work we learned how to design passively safe pebble bed reactors that produce more than 600 MWt. We also found a way to improve both the fuel utilization and safety by modifying the pebble design (by adjusting the fuel zone radius in the pebble to optimize the fuel-to-moderator ratio). We also learned how to perform design optimization calculations by using a genetic algorithm that automatically selects a sequence of design parameter sets to meet specified fitness criteria increasingly well. In the pebble-bed NGNP design work, we use the genetic algorithm to direct the INEELs PEBBED code to perform hundreds of code runs in less than a day to find optimized design configurations. And finally, we learned how to calculate cross sections more accurately for pebble bed reactors, and we identified research needs for the further refinement of the cross section calculations.

  19. Fact #875: June 1, 2015 Hybrid Electric Vehicle Penetration by State, 2014

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

    | Department of Energy 5: June 1, 2015 Hybrid Electric Vehicle Penetration by State, 2014 Fact #875: June 1, 2015 Hybrid Electric Vehicle Penetration by State, 2014 Hybrid electric vehicles (HEVs) are conventional hybrid vehicles that use a gasoline engine with a hybrid electric drive for superior efficiency; they do not plug-in. This type of hybrid vehicle was introduced to the U.S. market in 1999 with the Honda Insight and followed by the Toyota Prius in 2000. After about 15 years of

  20. GyroSolé’ Harmonic Engine

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

    GyroSolé(tm) Harmonic Engine GyroSolé(tm) engine * Simple * Efficient * Versatile Charles L. Bennett Physicist, LLNL LLNL-PRES-524031 2 Honda Formula One 2007 Car with Earth Livery Honda Formula One 2007 Car with Earth Livery Honda Formula One 2007 Car with Earth Livery Honda Formula One 2007 Car with Earth Livery GyroSolé(tm) Harmonic Engine GyroSolé(tm) engine * Simple * Efficient * Versatile Charles L. Bennett Physicist, LLNL Honda Formula One 2007 Car with Earth Livery Honda Formula One

  1. New insights gained on mechanisms of low-energy proton-induced SEUs by minimizing energy straggle

    SciTech Connect (OSTI)

    Dodds, Nathaniel Anson; Dodd, Paul E.; Shaneyfelt, Marty R.; Sexton, Frederick W.; Martinez, Marino J.; Black, Jeffrey D.; Marshall, P. W.; Reed, R. A.; McCurdy, M. W.; Weller, R. A.; Pellish, J. A.; Rodbell, K. P.; Gordon, M. S.

    2015-12-01

    In this study, we present low-energy proton single-event upset (SEU) data on a 65 nm SOI SRAM whose substrate has been completely removed. Since the protons only had to penetrate a very thin buried oxide layer, these measurements were affected by far less energy loss, energy straggle, flux attrition, and angular scattering than previous datasets. The minimization of these common sources of experimental interference allows more direct interpretation of the data and deeper insight into SEU mechanisms. The results show a strong angular dependence, demonstrate that energy straggle, flux attrition, and angular scattering affect the measured SEU cross sections, and prove that proton direct ionization is the dominant mechanism for low-energy proton-induced SEUs in these circuits.

  2. Pulsed high-magnetic-field experiments: New insights into the magnetocaloric effect in Ni-Mn-In Heusler alloys

    SciTech Connect (OSTI)

    Salazar Mejía, C. Nayak, A. K.; Felser, C.; Nicklas, M.; Ghorbani Zavareh, M.; Wosnitza, J.; Skourski, Y.

    2015-05-07

    The present pulsed high-magnetic-field study on Ni{sub 50}Mn{sub 35}In{sub 15} gives an extra insight into the thermodynamics of the martensitic transformation in Heusler shape-memory alloys. The transformation-entropy change, ΔS, was estimated from field-dependent magnetization experiments in pulsed high magnetic fields and by heat-capacity measurements in static fields. We found a decrease of ΔS with decreasing temperature. This behavior can be understood by considering the different signs of the lattice and magnetic contributions to the total entropy. Our results further imply that the magnetocaloric effect will decrease with decreasing temperature and, furthermore, the martensitic transition is not induced anymore by changing the temperature in high magnetic fields.

  3. A Carbon Flux Super Site. New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling

    SciTech Connect (OSTI)

    Leclerc, Monique Y.

    2014-11-17

    This final report presents the main activities and results of the project “A Carbon Flux Super Site: New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling” from 10/1/2006 to 9/30/2014. It describes the new AmeriFlux tower site (Aiken) at Savanna River Site (SC) and instrumentation, long term eddy-covariance, sodar, microbarograph, soil and other measurements at the site, and intensive field campaigns of tracer experiment at the Carbon Flux Super Site, SC, in 2009 and at ARM-CF site, Lamont, OK, and experiments in Plains, GA. The main results on tracer experiment and modeling, on low-level jet characteristics and their impact on fluxes, on gravity waves and their influence on eddy fluxes, and other results are briefly described in the report.

  4. New insights gained on mechanisms of low-energy proton-induced SEUs by minimizing energy straggle

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

    Dodds, Nathaniel Anson; Dodd, Paul E.; Shaneyfelt, Marty R.; Sexton, Frederick W.; Martinez, Marino J.; Black, Jeffrey D.; Marshall, P. W.; Reed, R. A.; McCurdy, M. W.; Weller, R. A.; et al

    2015-12-01

    In this study, we present low-energy proton single-event upset (SEU) data on a 65 nm SOI SRAM whose substrate has been completely removed. Since the protons only had to penetrate a very thin buried oxide layer, these measurements were affected by far less energy loss, energy straggle, flux attrition, and angular scattering than previous datasets. The minimization of these common sources of experimental interference allows more direct interpretation of the data and deeper insight into SEU mechanisms. The results show a strong angular dependence, demonstrate that energy straggle, flux attrition, and angular scattering affect the measured SEU cross sections, andmore » prove that proton direct ionization is the dominant mechanism for low-energy proton-induced SEUs in these circuits.« less

  5. Efficient and Reliable Reactive Power Supply and Consumption --Insights from an Integrated Program of Engineering and EconomicResearch

    SciTech Connect (OSTI)

    Thomas, Robert J.; Mount, Timothy D.; Schuler, Richard; Schulze,William; Zimmerman, Ray; Alvarado, Fernando; Lesieutre, Bernard C.; Overholt, Philip N.; Eto, Joseph H.

    2008-01-01

    In 2005, the Federal Energy Regulatory Commission (FERC) began discussing regulatory policy for reactive-power procurement and pricing in competitive electricity markets. This paper summarizes findings from a unique, interdisciplinary program of public-interest research that lays a formal foundation for evaluating aspects of FERC staff recommendations and offers early insights that should be useful in guiding policy implementation, specifically by: (1) clarifying the consumers and economic characteristics of reactive power as a basis for creating incentives to appropriately price it, (2) defining specific challenges in creating a competitive market for reactive power as well as new tools needed to help ensure such a market functions efficiently, and (3) demonstrating the importance of accounting for the physical characteristics of the transmission network in planning for reactive power and avoiding the exercise of market power by suppliers.

  6. Microsoft Word - List of Attendees_Industry Comment Meetings...

    Office of Environmental Management (EM)

    Brian Riley Director, Federal & State Affairs U.S. Honda October 22 10:00 - 10:30 am Ed Cohen Vice President, Government & Industry Relations, Honda North America Mark Wagner Vice...

  7. Structural, functional and immunogenic insights on Cu,Zn superoxide dismutase pathogenic virulence factors from Neisseria meningitidis and Brucella abortus

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

    Pratt, Ashley J.; DiDonato, Michael; Shin, David S.; Cabelli, Diane E.; Bruns, Cami K.; Belzer, Carol A.; Gorringe, Andrew R.; Langford, Paul R.; Tabatabai, Louisa B.; Kroll, J. Simon; et al

    2015-10-12

    Bacterial pathogens Neisseria meningitidis and Brucella abortus pose threats to human and animal health worldwide, causing meningococcal disease and brucellosis, respectively. Mortality from acute N. meningitidis infections remains high despite antibiotics, and brucellosis presents alimentary and health consequences. Superoxide dismutases are master regulators of reactive oxygen, general pathogenicity factors and therefore therapeutic targets. Cu,Zn superoxide dismutases (SODs) localized to the periplasm promote survival by detoxifying superoxide radicals generated by major host antimicrobial immune responses. We discovered that passive immunization with an antibody directed at N. meningitidis SOD (NmSOD) was protective in a mouse infection model. To define the relevant atomicmore » details and solution assembly states of this important virulence factor, we report high-resolution and X-ray scattering analyses of NmSOD and SOD from B. abortus (BaSOD). The NmSOD structures revealed an auxiliary tetrahedral Cu-binding site bridging the dimer interface; mutational analyses suggested that this metal site contributes to protein stability, with implications for bacterial defense mechanisms. Biochemical and structural analyses informed us about electrostatic substrate guidance, dimer assembly and an exposed C-terminal epitope in the NmSOD dimer. In contrast, the monomeric BaSOD structure provided insights for extending immunogenic peptide epitopes derived from the protein. These collective results reveal unique contributions of SOD to pathogenic virulence, refine predictive motifs for distinguishing SOD classes and suggest general targets for anti-bacterial immune responses. The identified functional contributions, motifs, and targets distinguishing bacterial and eukaryotic SOD assemblies presented here provide a foundation for efforts to develop SOD-specific inhibitors or vaccines against these harmful pathogens. IMPORTANCE By protecting microbes against reactive oxygen insults, Cu,Zn superoxide dismutases (SODs) aid survival of many bacteria within their hosts. Despite the ubiquity and conservation of these key enzymes, notable species-specific differences relevant to pathogenesis remain undefined. To probe mechanisms that govern the functioning of Neisseria meningitidis and Brucella abortus SODs, we used X-ray structures, enzymology, modeling and murine infection experiments. We identified virulence determinants common to both homologs, assembly differences and a unique metal reservoir within meningococcal SOD that stabilizes the enzyme and may provide a safeguard against copper toxicity. The insights reported here provide a rationale and basis for SOD-specific drugs and extension of immunogen design to target two important pathogens that continue to pose global health threats.« less

  8. New X-ray insight into oxygen intercalation in epitaxial graphene grown on 4H-SiC(0001)

    SciTech Connect (OSTI)

    Kowalski, G. Tokarczyk, M.; D?browski, P.; Ciepielewski, P.; Mo?d?onek, M.; Strupi?ski, W.; Baranowski, J. M.

    2015-03-14

    Efficient control of intercalation of epitaxial graphene by specific elements is a way to change properties of the graphene. Results of several experimental techniques, such as X-ray photoelectron spectroscopy, micro-Raman mapping, reflectivity, attenuated total reflection, X-ray diffraction, and X-ray reflectometry, gave a new insight into the intercalation of oxygen in the epitaxial graphene grown on 4H-SiC(0001). These results confirmed that oxygen intercalation decouples the graphene buffer layer from the 4H-SiC surface and converts it into the graphene layer. However, in contrast to the hydrogen intercalation, oxygen does not intercalate between carbon planes (in the case of few layer graphene) and the interlayer spacing stays constant at the level of 3.353.32?. Moreover, X-ray reflectometry showed the presence of an oxide layer having the thickness of about 0.8? underneath the graphene layers. Apart from the formation of the nonuniform thin oxide layer, generation of defects in graphene caused by oxygen was also evidenced. Last but not least, water islands underneath defected graphene regions in both intercalated and non-intercalated samples were most probably revealed. These water islands are formed in the case of all the samples stored under ambient laboratory conditions. Water islands can be removed from underneath the few layer graphene stacks by relevant thermal treatment or by UV illumination.

  9. Risk perception & strategic decision making :general insights, a framework, and specific application to electricity generation using nuclear energy.

    SciTech Connect (OSTI)

    Brewer, Jeffrey D.

    2005-11-01

    The objective of this report is to promote increased understanding of decision making processes and hopefully to enable improved decision making regarding high-consequence, highly sophisticated technological systems. This report brings together insights regarding risk perception and decision making across domains ranging from nuclear power technology safety, cognitive psychology, economics, science education, public policy, and neural science (to name a few). It forms them into a unique, coherent, concise framework, and list of strategies to aid in decision making. It is suggested that all decision makers, whether ordinary citizens, academics, or political leaders, ought to cultivate their abilities to separate the wheat from the chaff in these types of decision making instances. The wheat includes proper data sources and helpful human decision making heuristics; these should be sought. The chaff includes ''unhelpful biases'' that hinder proper interpretation of available data and lead people unwittingly toward inappropriate decision making ''strategies''; obviously, these should be avoided. It is further proposed that successfully accomplishing the wheat vs. chaff separation is very difficult, yet tenable. This report hopes to expose and facilitate navigation away from decision-making traps which often ensnare the unwary. Furthermore, it is emphasized that one's personal decision making biases can be examined, and tools can be provided allowing better means to generate, evaluate, and select among decision options. Many examples in this report are tailored to the energy domain (esp. nuclear power for electricity generation). The decision making framework and approach presented here are applicable to any high-consequence, highly sophisticated technological system.

  10. Changes in Moisture Flux over the Tibetan Plateau during 1979-2011: Insights from a High Resolution Simulation

    SciTech Connect (OSTI)

    Gao, Yanhong; Leung, Lai-Yung R.; Zhang, Yongxin; Cuo, Lan

    2015-05-15

    Net precipitation (precipitation minus evapotranspiration, P-E) changes between 1979 and 2011 from a high resolution regional climate simulation and its reanalysis forcing are analyzed over the Tibet Plateau (TP) and compared to the global land data assimilation system (GLDAS) product. The high resolution simulation better resolves precipitation changes than its coarse resolution forcing, which contributes dominantly to the improved P-E change in the regional simulation compared to the global reanalysis. Hence, the former may provide better insights about the drivers of P-E changes. The mechanism behind the P-E changes is explored by decomposing the column integrated moisture flux convergence into thermodynamic, dynamic, and transient eddy components. High-resolution climate simulation improves the spatial pattern of P-E changes over the best available global reanalysis. High-resolution climate simulation also facilitates new and substantial findings regarding the role of thermodynamics and transient eddies in P-E changes reflected in observed changes in major river basins fed by runoff from the TP. The analysis revealed the contrasting convergence/divergence changes between the northwestern and southeastern TP and feedback through latent heat release as an important mechanism leading to the mean P-E changes in the TP.

  11. Insights into the structure–photoreactivity relationships in well-defined perovskite ferroelectric KNbO 3 nanowires

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

    Zhang, Tingting; Lei, Wanying; Liu, Ping; Rodriguez, José A.; Yu, Jiaguo; Qi, Yang; Liu, Gang; Liu, Minghua

    2015-04-23

    Structure–function correlations are a central theme in heterogeneous (photo)catalysis. In this study, the geometric and electronic structure of perovskite ferroelectric KNbO3 nanowires with respective orthorhombic and monoclinic polymorphs have been systematically addressed. By virtue of aberration-corrected scanning transmission electron microscopy, we directly visualize surface photocatalytic active sites, measure local atomic displacements at an accuracy of several picometers, and quantify ferroelectric polarization combined with first-principles calculations. The photoreactivity of the as-prepared KNbO3 nanowires is assessed toward aqueous rhodamine B degradation under UV light. A synergy between the ferroelectric polarization and electronic structure in photoreactivity enhancement is uncovered, which accounts for themore » prominent reactivity order: orthorhombic > monoclinic. Additionally, by identifying new photocatalytic products, rhodamine B degradation pathways involving N-deethylation and conjugated structure cleavage are proposed. The findings not only provide new insights into the structure–photoreactivity relationships in perovskite ferroelectric photocatalysts, but also have broad implications in perovskite-based water splitting and photovoltaics, among others.« less

  12. Insights into Regulated Ligand Binding Sites from the Structure of ZO-1 Src Homology 3-Guanylate Kinase Module

    SciTech Connect (OSTI)

    Lye, Ming F.; Fanning, Alan S.; Su, Ying; Anderson, James M.; Lavie, Arnon (UNC); (UIC)

    2010-11-09

    Tight junctions are dynamic components of epithelial and endothelial cells that regulate the paracellular transport of ions, solutes, and immune cells. The assembly and permeability of these junctions is dependent on the zonula occludens (ZO) proteins, members of the membrane-associated guanylate kinase homolog (MAGUK) protein family, which are characterized by a core Src homology 3 (SH3)-GUK module that coordinates multiple protein-protein interactions. The structure of the ZO-1 SH3-GUK domain confirms that the interdependent folding of the SH3 and GUK domains is a conserved feature of MAGUKs, but differences in the orientation of the GUK domains in three different MAGUKs reveal interdomain flexibility of the core unit. Using pull-down assays, we show that an effector loop, the U6 region in ZO-1, forms a novel intramolecular interaction with the core module. This interaction is divalent cation-dependent and overlaps with the binding site for the regulatory molecule calmodulin on the GUK domain. These findings provide insight into the previously observed ability of the U6 region to regulate TJ assembly in vivo and the structural basis for the complex protein interactions of the MAGUK family.

  13. Insights into Hsp70 Chaperone Activity from a Crystal Structure of the Yeast Hsp110 Sse1

    SciTech Connect (OSTI)

    Liu,Q.; Hendrickson, W.

    2007-01-01

    Classic Hsp70 chaperones assist in diverse processes of protein folding and translocation, and Hsp110s had seemed by sequence to be distant relatives within an Hsp70 superfamily. The 2.4 Angstroms resolution structure of Sse1 with ATP shows that Hsp110s are indeed Hsp70 relatives, and it provides insight into allosteric coupling between sites for ATP and polypeptide-substrate binding in Hsp70s. Subdomain structures are similar in intact Sse1(ATP) and in the separate Hsp70 domains, but conformational dispositions are radically different. Interfaces between Sse1 domains are extensive, intimate, and conservative in sequence with Hsp70s. We propose that Sse1(ATP) may be an evolutionary vestige of the Hsp70(ATP) state, and an analysis of 64 mutant variants in Sse1 and three Hsp70 homologs supports this hypothesis. An atomic-level understanding of Hsp70 communication between ATP and substrate-binding domains follows. Requirements on Sse1 for yeast viability are in keeping with the distinct function of Hsp110s as nucleotide exchange factors.

  14. Insights into the structurephotoreactivity relationships in well-defined perovskite ferroelectric KNbO 3 nanowires

    SciTech Connect (OSTI)

    Zhang, Tingting; Lei, Wanying; Liu, Ping; Rodriguez, Jos A.; Yu, Jiaguo; Qi, Yang; Liu, Gang; Liu, Minghua

    2015-04-23

    Structurefunction correlations are a central theme in heterogeneous (photo)catalysis. In this study, the geometric and electronic structure of perovskite ferroelectric KNbO3 nanowires with respective orthorhombic and monoclinic polymorphs have been systematically addressed. By virtue of aberration-corrected scanning transmission electron microscopy, we directly visualize surface photocatalytic active sites, measure local atomic displacements at an accuracy of several picometers, and quantify ferroelectric polarization combined with first-principles calculations. The photoreactivity of the as-prepared KNbO3 nanowires is assessed toward aqueous rhodamine B degradation under UV light. A synergy between the ferroelectric polarization and electronic structure in photoreactivity enhancement is uncovered, which accounts for the prominent reactivity order: orthorhombic > monoclinic. Additionally, by identifying new photocatalytic products, rhodamine B degradation pathways involving N-deethylation and conjugated structure cleavage are proposed. The findings not only provide new insights into the structurephotoreactivity relationships in perovskite ferroelectric photocatalysts, but also have broad implications in perovskite-based water splitting and photovoltaics, among others.

  15. Multi-scale Detection of Organic and Inorganic Signatures Provides Insights into Gas Shale Properties and Evolution

    SciTech Connect (OSTI)

    Bernard, S.; Horsfield, B; Schultz, H; Schreiber, A; Wirth, R; Thi AnhVu, T; Perssen, F; Konitzer, S; Volk, H; et. al.

    2010-01-01

    Organic geochemical analyses, including solvent extraction or pyrolysis, followed by gas chromatography and mass spectrometry, are generally conducted on bulk gas shale samples to evaluate their source and reservoir properties. While organic petrology has been directed at unravelling the matrix composition and textures of these economically important unconventional resources, their spatial variability in chemistry and structure is still poorly documented at the sub-micrometre scale. Here, a combination of techniques including transmission electron microscopy and a synchrotron-based microscopy tool, scanning transmission X-ray microscopy, have been used to characterize at a multiple length scale an overmature organic-rich calcareous mudstone from northern Germany. We document multi-scale chemical and mineralogical heterogeneities within the sample, from the millimetre down to the nanometre-scale. From the detection of different types of bitumen and authigenic minerals associated with the organic matter, we show that the multi-scale approach used in this study may provide new insights into gaseous hydrocarbon generation/retention processes occurring within gas shales and may shed new light on their thermal history.

  16. Insight From Efficiency Maine

    Broader source: Energy.gov [DOE]

    Presents an in-depth look at Efficiency Maine's transition to weatherization financing, its PowerSaver program, and much more.

  17. Global Insight Energy Group

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

    ... Overview -4,000 -2,000 0 2,000 4,000 6,000 8,000 1990-2000 2000-2008 2008-2030 Residential Commercial Industrial Transportation Pow er Losses Energy Demand by Sector (Trillion Btu) ...

  18. Revisiting Insights from Three Mile Island Unit 2 Postaccident Examinations and Evaluations in View of the Fukushima Daiichi Accident

    SciTech Connect (OSTI)

    Joy Rempe; Mitchell Farmer; Michael Corradini; Larry Ott; Randall Gauntt; Dana Powers

    2012-11-01

    The Three Mile Island Unit 2 (TMI-2) accident, which occurred on March 28, 1979, led industry and regulators to enhance strategies to protect against severe accidents in commercial nuclear power plants. Investigations in the years after the accident concluded that at least 45% of the core had melted and that nearly 19 tonnes of the core material had relocated to the lower head. Postaccident examinations indicate that about half of that material formed a solid layer near the lower head and above it was a layer of fragmented rubble. As discussed in this paper, numerous insights related to pressurized water reactor accident progression were gained from postaccident evaluations of debris, reactor pressure vessel (RPV) specimens, and nozzles taken from the RPV. In addition, information gleaned from TMI-2 specimen evaluations and available data from plant instrumentation were used to improve severe accident simulation models that form the technical basis for reactor safety evaluations. Finally, the TMI-2 accident led the nuclear community to dedicate considerable effort toward understanding severe accident phenomenology as well as the potential for containment failure. Because available data suggest that significant amounts of fuel heated to temperatures near melting, the events at Fukushima Daiichi Units 1, 2, and 3 offer an unexpected opportunity to gain similar understanding about boiling water reactor accident progression. To increase the international benefit from such an endeavor, we recommend that an international effort be initiated to (a) prioritize data needs; (b) identify techniques, samples, and sample evaluations needed to address each information need; and (c) help finance acquisition of the required data and conduct of the analyses.

  19. Insights into the role of components of the tumor microenvironment in oral carcinoma call for new therapeutic approaches

    SciTech Connect (OSTI)

    Salo, Tuula; Vered, Marilena; Bello, Ibrahim O.; Nyberg, Pia; Bitu, Carolina Cavalcante; Zlotogorski Hurvitz, Ayelet; Dayan, Dan

    2014-07-15

    The research on oral cancer has focused mainly on the cancer cells, their genetic changes and consequent phenotypic modifications. However, it is increasingly clear that the tumor microenvironment (TME) has been shown to be in a dynamic state of inter-relations with the cancer cells. The TME contains a variety of components including the non-cancerous cells (i.e., immune cells, resident fibroblasts and angiogenic vascular cells) and the ECM milieu [including fibers (mainly collagen and fibronectin) and soluble factors (i.e., enzymes, growth factors, cytokines and chemokines)]. Thus, it is currently assumed that TME is considered a part of the cancerous tissue and the functionality of its key components constitutes the setting on which the hallmarks of the cancer cells can evolve. Therefore, in terms of controlling a malignancy, one should control the growth, invasion and spread of the cancer cells through modifications in the TME components. This mini review focuses on the TME as a diagnostic approach and reports the recent insights into the role of different TME key components [such as carcinoma-associated fibroblasts (CAFs) and inflammation (CAI) cells, angiogenesis, stromal matrix molecules and proteases] in the molecular biology of oral carcinoma. Furthermore, the impact of TME components on clinical outcomes and the concomitant need for development of new therapeutic approaches will be discussed. - Highlights: Tumor depth and budding, hypoxia and TME cells associate with worse prognosis. Pro-tumoral CAFs and CAI cells aid proliferation, invasion and spread hypoxia. Some ECM-bound factors exert pro-angiogenic or pro-tumor activities. Tumor spread is greatly dependent on ECM proteolysis, mediated by TME cells. Direct targeting of TME components for treatment is still experimental.

  20. New Insights for Improving the Designs of Flexible Duct Junction Boxes (Fact Sheet), Building America Case Study: Technology Solutions for New and Existing Homes, Building Technologies Office (BTO)

    Energy Savers [EERE]

    New Insights for Improving the Designs of Flexible Duct Junction Boxes PROJECT INFORMATION IBACOS www.ibacos.com Construction: Fiberglass duct board or sheet metal junction boxes Type: Flexible duct constant-volume HVAC systems Builders: Those using ACCA Manual D process for sizing duct runs Size: N/A Price Range: N/A Date completed: N/A Climate Zone: All PERFORMANCE DATA Pressure losses are high for flexible duct junction boxes relative to other standard duct fittings; however, contractors

  1. Genomic insights into the evolution of hybrid isoprenoid biosynthetic gene clusters in the MAR4 marine streptomycete clade

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

    Gallagher, Kelley A.; Jensen, Paul R.

    2015-11-17

    Background: Considerable advances have been made in our understanding of the molecular genetics of secondary metabolite biosynthesis. Coupled with increased access to genome sequence data, new insight can be gained into the diversity and distributions of secondary metabolite biosynthetic gene clusters and the evolutionary processes that generate them. Here we examine the distribution of gene clusters predicted to encode the biosynthesis of a structurally diverse class of molecules called hybrid isoprenoids (HIs) in the genus Streptomyces. These compounds are derived from a mixed biosynthetic origin that is characterized by the incorporation of a terpene moiety onto a variety of chemicalmore » scaffolds and include many potent antibiotic and cytotoxic agents. Results: One hundred and twenty Streptomyces genomes were searched for HI biosynthetic gene clusters using ABBA prenyltransferases (PTases) as queries. These enzymes are responsible for a key step in HI biosynthesis. The strains included 12 that belong to the ‘MAR4’ clade, a largely marine-derived lineage linked to the production of diverse HI secondary metabolites. We found ABBA PTase homologs in all of the MAR4 genomes, which averaged five copies per strain, compared with 21 % of the non-MAR4 genomes, which averaged one copy per strain. Phylogenetic analyses suggest that MAR4 PTase diversity has arisen by a combination of horizontal gene transfer and gene duplication. Furthermore, there is evidence that HI gene cluster diversity is generated by the horizontal exchange of orthologous PTases among clusters. Many putative HI gene clusters have not been linked to their secondary metabolic products, suggesting that MAR4 strains will yield additional new compounds in this structure class. Finally, we confirm that the mevalonate pathway is not always present in genomes that contain HI gene clusters and thus is not a reliable query for identifying strains with the potential to produce HI secondary metabolites. In conclusion: We found that marine-derived MAR4 streptomycetes possess a relatively high genetic potential for HI biosynthesis. The combination of horizontal gene transfer, duplication, and rearrangement indicate that complex evolutionary processes account for the high level of HI gene cluster diversity in these bacteria, the products of which may provide a yet to be defined adaptation to the marine environment.« less

  2. Systems level insights into alternate methane cycling modes in a freshwater lake via community transcriptomics, metabolomics and nano-SIMS analysis

    SciTech Connect (OSTI)

    Lidstrom, Mary E.; Chistoserdova, Ludmila; Kalyuzhnaya, Marina G.; Orphan, Victoria J.; Beck, David A.

    2014-08-07

    The research conducted as part of this project contributes significantly to the understanding of the microbes and their activities involved in methane metabolism in freshwater lake sediments and in the environment in a more global sense. Significant new insights have been gained into the identity of the species that are most active in methane oxidation. New concepts have been developed based on the new data on how these organisms metabolize methane, impacting not only environmental microbiology but also biotechnology, including biotechnology of next generation biofuels. Novel approaches have been developed for studying functional microbial communities, via holistic approaches, such as metagenomics, metatrancriptomics and metabolite analysis. As a result, a novel outlook has been obtained at how such communities operate in nature. Understanding methane-oxidizing communities in lakes and other environments is of significant benefit to the public, in terms of methane emission mitigation and in terms of potential biotechnological applications.

  3. The GC-Rich Mitochondrial and Plastid Genomes of the Green Alga Coccomyxa Give Insight into the Evolution of Organelle DNA Nucleotide Landscape

    SciTech Connect (OSTI)

    Smith, David Roy; Burki, Fabien; Yamada, Takashi; Grimwood, Jane; Grigoriev, Igor V.; Van Etten, James L.; Keeling, Patrick J.

    2011-05-13

    Most of the available mitochondrial and plastid genome sequences are biased towards adenine and thymine (AT) over guanine and cytosine (GC). Examples of GC-rich organelle DNAs are limited to a small but eclectic list of species, including certain green algae. Here, to gain insight in the evolution of organelle nucleotide landscape, we present the GC-rich mitochondrial and plastid DNAs from the trebouxiophyte green alga Coccomyxa sp. C-169. We compare these sequences with other GC-rich organelle DNAs and argue that the forces biasing them towards G and C are nonadaptive and linked to the metabolic and/or life history features of this species. The Coccomyxa organelle genomes are also used for phylogenetic analyses, which highlight the complexities in trying to resolve the interrelationships among the core chlorophyte green algae, but ultimately favour a sister relationship between the Ulvophyceae and Chlorophyceae, with the Trebouxiophyceae branching at the base of the chlorophyte crown.

  4. Structural, functional and immunogenic insights on Cu,Zn superoxide dismutase pathogenic virulence factors from Neisseria meningitidis and Brucella abortus

    SciTech Connect (OSTI)

    Pratt, Ashley J.; DiDonato, Michael; Shin, David S.; Cabelli, Diane E.; Bruns, Cami K.; Belzer, Carol A.; Gorringe, Andrew R.; Langford, Paul R.; Tabatabai, Louisa B.; Kroll, J. Simon; Tainer, John A.; Getzoff, Elizabeth D.

    2015-10-12

    Bacterial pathogens Neisseria meningitidis and Brucella abortus pose threats to human and animal health worldwide, causing meningococcal disease and brucellosis, respectively. Mortality from acute N. meningitidis infections remains high despite antibiotics, and brucellosis presents alimentary and health consequences. Superoxide dismutases are master regulators of reactive oxygen, general pathogenicity factors and therefore therapeutic targets. Cu,Zn superoxide dismutases (SODs) localized to the periplasm promote survival by detoxifying superoxide radicals generated by major host antimicrobial immune responses. We discovered that passive immunization with an antibody directed at N. meningitidis SOD (NmSOD) was protective in a mouse infection model. To define the relevant atomic details and solution assembly states of this important virulence factor, we report high-resolution and X-ray scattering analyses of NmSOD and SOD from B. abortus (BaSOD). The NmSOD structures revealed an auxiliary tetrahedral Cu-binding site bridging the dimer interface; mutational analyses suggested that this metal site contributes to protein stability, with implications for bacterial defense mechanisms. Biochemical and structural analyses informed us about electrostatic substrate guidance, dimer assembly and an exposed C-terminal epitope in the NmSOD dimer. In contrast, the monomeric BaSOD structure provided insights for extending immunogenic peptide epitopes derived from the protein. These collective results reveal unique contributions of SOD to pathogenic virulence, refine predictive motifs for distinguishing SOD classes and suggest general targets for anti-bacterial immune responses. The identified functional contributions, motifs, and targets distinguishing bacterial and eukaryotic SOD assemblies presented here provide a foundation for efforts to develop SOD-specific inhibitors or vaccines against these harmful pathogens.

    IMPORTANCE By protecting microbes against reactive oxygen insults, Cu,Zn superoxide dismutases (SODs) aid survival of many bacteria within their hosts. Despite the ubiquity and conservation of these key enzymes, notable species-specific differences relevant to pathogenesis remain undefined. To probe mechanisms that govern the functioning of Neisseria meningitidis and Brucella abortus SODs, we used X-ray structures, enzymology, modeling and murine infection experiments. We identified virulence determinants common to both homologs, assembly differences and a unique metal reservoir within meningococcal SOD that stabilizes the enzyme and may provide a safeguard against copper toxicity. The insights reported here provide a rationale and basis for SOD-specific drugs and extension of immunogen design to target two important pathogens that continue to pose global health threats.

  5. Mechanistic Insights of Ethanol Steam Reforming over NiCeO x (111): The Importance of Hydroxyl Groups for Suppressing Coke Formation

    SciTech Connect (OSTI)

    Liu, Zongyuan; Ducho?, Tom; Wang, Huanru; Peterson, Erik W.; Zhou, Yinghui; Luo, Si; Zhou, Jing; Matoln, Vladimir; Stacchiola, Dario J.; Rodriguez, Jos A.; Senanayake, Sanjaya D.

    2015-07-30

    We have studied the reaction of ethanol and water over NiCeO2-x(111) model surfaces to elucidate the mechanistic steps associated with the ethanol steam reforming (ESR) reaction. Our results provide insights about the importance of hydroxyl groups to the ESR reaction over Ni-based catalysts. Systematically, we have investigated the reaction of ethanol on NiCeO2-x(111) at varying Ce? concentrations (CeO1.82.0) with absence/presence of water using a combination of soft X-ray photoelectron spectroscopy (sXPS) and temperature-programmed desorption (TPD). Consistent with previous reports, upon annealing, metallic Ni formed on reduced ceria while NiO was the main component on fully oxidized ceria. Ni? is the active phase leading to both the CC and CH cleavage of ethanol but is also responsible for carbon accumulation or coking. We have identified a Ni?C phase that formed prior to the formation of coke. At temperatures above 600K, the lattice oxygen from ceria and the hydroxyl groups from water interact cooperatively in the removal of coke, likely through a strong metalsupport interaction between nickel and ceria that facilitates oxygen transfer.

  6. Mechanistic insights of ethanol steam reforming over Ni-CeOx(111): The importance of hydroxyl groups for suppressing coke formation

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

    Liu, Zongyuan; Senanayake, Sanjaya D.; Duchon, Tomas; Wang, Huanru; Peterson, Erik W.; Zhou, Yinghui; Luo, Si; Zhou, Jing; Matolin, Vladimir; Stacchiola, Dario J.; et al

    2015-07-10

    We have studied the reaction of ethanol and water over NiCeO2-x(111) model surfaces to elucidate the mechanistic steps associated with the ethanol steam reforming (ESR) reaction. Our results provide insights about the importance of hydroxyl groups to the ESR reaction over Ni-based catalysts. Systematically, we have investigated the reaction of ethanol on NiCeO2-x(111) at varying Ce? concentrations (CeO1.82.0) with absence/presence of water using a combination of soft X-ray photoelectron spectroscopy (sXPS) and temperature-programmed desorption (TPD). Consistent with previous reports, upon annealing, metallic Ni formed on reduced ceria while NiO was the main component on fully oxidized ceria. Ni? is themoreactive phase leading to both the CC and CH cleavage of ethanol but is also responsible for carbon accumulation or coking. We have identified a Ni?C phase that formed prior to the formation of coke. At temperatures above 600K, the lattice oxygen from ceria and the hydroxyl groups from water interact cooperatively in the removal of coke, likely through a strong metalsupport interaction between nickel and ceria that facilitates oxygen transfer.less

  7. Mechanistic Insights of Ethanol Steam Reforming over Ni–CeO x (111): The Importance of Hydroxyl Groups for Suppressing Coke Formation

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

    Liu, Zongyuan; Duchoň, Tomáš; Wang, Huanru; Peterson, Erik W.; Zhou, Yinghui; Luo, Si; Zhou, Jing; Matolín, Vladimir; Stacchiola, Dario J.; Rodriguez, José A.; et al

    2015-07-30

    We have studied the reaction of ethanol and water over Ni–CeO2-x(111) model surfaces to elucidate the mechanistic steps associated with the ethanol steam reforming (ESR) reaction. Our results provide insights about the importance of hydroxyl groups to the ESR reaction over Ni-based catalysts. Systematically, we have investigated the reaction of ethanol on Ni–CeO2-x(111) at varying Ce³⁺ concentrations (CeO1.8–2.0) with absence/presence of water using a combination of soft X-ray photoelectron spectroscopy (sXPS) and temperature-programmed desorption (TPD). Consistent with previous reports, upon annealing, metallic Ni formed on reduced ceria while NiO was the main component on fully oxidized ceria. Ni⁰ is themore » active phase leading to both the C–C and C–H cleavage of ethanol but is also responsible for carbon accumulation or coking. We have identified a Ni₃C phase that formed prior to the formation of coke. At temperatures above 600K, the lattice oxygen from ceria and the hydroxyl groups from water interact cooperatively in the removal of coke, likely through a strong metal–support interaction between nickel and ceria that facilitates oxygen transfer.« less

  8. New insight for enhancing photocatalytic activity of MWCNT/TiO{sub 2} by decorating palladium nanoparticles as charge-transfer channel

    SciTech Connect (OSTI)

    Zhang, Feng-Jun; Department of Advanced Materials and Science Engineering, Hanseo University, Seosan-si, Chungnam-do 356-706 ; Oh, Won-Chun; Zhang, Kan; Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, Hyojadong, Namgu, Pohang 790-784

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer A new insight for further improving photoactivity of MWCNT/TiO{sub 2} was reported. Black-Right-Pointing-Pointer The Pd as charge transfer channel trap electrons from MWCNT to TiO{sub 2} surface. Black-Right-Pointing-Pointer The Pd content can also influence photoactivity of MWCNT/TiO{sub 2} photocatalyst. Black-Right-Pointing-Pointer The approach is practically usable for other nanocarbon/semiconductor materials. -- Abstract: A surface bond-grafted multi-walled carbon nanotube (MWCNT)/TiO{sub 2} as supporter, palladium nanoparticles, approximately 3 nm in diameter, are uniformly deposited on the functional MWCNT surface in first, constructing a novel Pd-MWCNT/TiO{sub 2} photocatalyst for photocatalytic solar conversion. The characterization of photocatalysts by a series of joint techniques, including BET surface area, scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), energy dispersive X-ray (EDX), Raman spectroscopy and ultraviolet/visible (UV/vis) diffuse reflectance spectra, discloses that palladium nanoparticles has a crucial role in enhancement of photocatalytic activity of MWCNT/TiO{sub 2}, that is to act as a charge transfer channel, which helps to trap electrons from MWCNT to TiO{sub 2}.

  9. Santa Clara County, California: Energy Resources | Open Energy...

    Open Energy Info (EERE)

    Company HP Honda Research Institute IWatt Inc IXYS Corporation InnovaLight Inc Integrated Photovoltaics Intel Corp InteliSolar Intevac JDS Uniphase Corp JDSU KLA Tencor Kainos...

  10. California's 14th congressional district: Energy Resources |...

    Open Energy Info (EERE)

    HP Honda Research Institute Imara Corp formerly Lion Cells InspiredVC LLC Integrated Photovoltaics Kainos Energy Corporation Khosla Ventures Khosla Vinod Private investor KiOR...

  11. Mitigation of Vehicle Fast Charge Grid Impacts with Renewables...

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

    Charge Grid Impacts with Renewables and Energy Storage AVTA: Bidirectional Fast Charging Report AVTA: 2010 Honda Civic HEV with Experimental Ultra Lead Acid Battery Testing Results

  12. Advanced Battery Manufacturing Facilities and Equipment Program...

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

    and Equipment Program Advanced Battery Manufacturing Facilities and Equipment Program AVTA: 2010 Honda Civic HEV with Experimental Ultra Lead Acid Battery Testing Results

  13. Clean, Efficient, and Reliable Power for the 21st Century: Fact...

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

    of Energy's Fuel Cell Technologies Office. Clean, Efficient, and Reliable Power for the 21st Century More Documents & Publications QER - Comment of Honda Motor Co., Inc. State of...

  14. Insights gained from aging research

    SciTech Connect (OSTI)

    Blahnik, D.E.; Casada, D.A.; Edson, J.L.; Fineman, D.L.; Gunther, W.E.; Haynes, H.D.; Hoopingarner, K.R.; Jacobus, M.J.; Jarrell, D.B.; Kryter, R.C.; Magelby, H.L.; Murphy, G.A.; Subudhi, M.M.

    1992-03-01

    The US NRC Office of Nuclear Regulatory Research has implemented hardware-oriented engineering research programs to identify and resolve technical issues related to the aging of systems, structures, and components (SSCs) in operating nuclear power plants. This report provides a summary of those research results which have been compiled and published in NUREGS and related technical reports. The systems, components and structures that have been studied are organized by alphabetical order. The research results summary on the SSCs is followed by an assessment guide to emphasize inspection techniques which may be useful for detecting aging degradation in nuclear power plants. This report will be updated periodically to reflect new research results on these or other SSCs.

  15. Insight Homes | Open Energy Information

    Open Energy Info (EERE)

    About Partnership with NREL Partnership with NREL Yes Partnership Type Test & Evaluation Partner Partnering Center within NREL Electricity Resources & Building Systems...

  16. Structures of Human Cyctochrome P450 2E1: Insights Into the Binding of Inhibitors And Both Small Molecular Weight And Fatty Acid Substrates

    SciTech Connect (OSTI)

    Porubsky, P.R.; Meneely, K.M.; Scott, E.E.

    2009-05-21

    Human microsomal cytochrome P-450 2E1 (CYP2E1) monooxygenates >70 low molecular weight xenobiotic compounds, as well as much larger endogenous fatty acid signaling molecules such as arachidonic acid. In the process, CYP2E1 can generate toxic or carcinogenic compounds, as occurs with acetaminophen overdose, nitrosamines in cigarette smoke, and reactive oxygen species from uncoupled catalysis. Thus, the diverse roles that CYP2E1 has in normal physiology, toxicity, and drug metabolism are related to its ability to metabolize diverse classes of ligands, but the structural basis for this was previously unknown. Structures of human CYP2E1 have been solved to 2.2 {angstrom} for an indazole complex and 2.6 {angstrom} for a 4-methylpyrazole complex. Both inhibitors bind to the heme iron and hydrogen bond to Thr{sup 303} within the active site. Complementing its small molecular weight substrates, the hydrophobic CYP2E1 active site is the smallest yet observed for a human cytochrome P-450. The CYP2E1 active site also has two adjacent voids: one enclosed above the I helix and the other forming a channel to the protein surface. Minor repositioning of the Phe{sup 478} aromatic ring that separates the active site and access channel would allow the carboxylate of fatty acid substrates to interact with conserved {sup 216}QXXNN{sup 220} residues in the access channel while positioning the hydrocarbon terminus in the active site, consistent with experimentally observed {omega}-1 hydroxylation of saturated fatty acids. Thus, these structures provide insights into the ability of CYP2E1 to effectively bind and metabolize both small molecule substrates and fatty acids.

  17. Insight into methanol synthesis from CO2 hydrogenation on Cu(111): Complex reaction network and the effects of H2O

    SciTech Connect (OSTI)

    Zhao, Yafan; Yang, Yong; Mims, Charles A.; Peden, Charles HF; Li, Jun; Mei, Donghai

    2011-05-31

    Methanol synthesis from CO2 hydrogenation on supported Cu catalysts is of considerable importance in the chemical and energy industries. Although extensive experimental and theoretical efforts have been carried out in the past decades, the most fundamental questions such as the reaction mechanisms and the key reaction intermediates are still in debate. In the present work, a comprehensive reaction network for CO2 hydrogenation to methanol on Cu(111) was studied using periodic density functional theory (DFT) calculations. All of the elementary reaction steps in the reaction network were identified in an unbiased way with the dimer method. Our calculation results show that methanol synthesis from direct hydrogenation of formate on Cu(111) is not feasible due to the high activation barriers for some of the elementary steps. Instead, we find that CO2 hydrogenation to hydrocarboxyl (trans-COOH) is kinetically more favorable than formate in the presence of H2O via a unique proton transfer mechanism. The trans-COOH is then converted into hydroxymethylidyne (COH) via dihydroxycarbene (COHOH) intermediates, followed by three consecutive hydrogenation steps to form hydroxymethylene (HCOH), hydroxymethyl (H2COH), and methanol. This is consistent with recent experimental observations [1], which indicate that direct hydrogenation of formate will not produce methanol under dry hydrogen conditions. Thus, both experiment and computational modeling clearly demonstrate the important role of trace amounts of water in methanol synthesis from CO2 hydrogenation on Cu catalysts. The proposed methanol synthesis route on Cu(111) not only provides new insights into methanol synthesis chemistry, but also demonstrates again that spectroscopically observed surface species are often not critical reaction intermediates but rather spectator species. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  18. Effect of Siloxane Ring Strain and Cation Charge Density on the Formation of Coordinately Unsaturated Metal Sites on Silica: Insights from DFT Studies

    SciTech Connect (OSTI)

    Das, Ujjal; Zhang, Guanghui; Hu, Bo; Hock, Adam S.; Redfern, Paul C.; Miller, Jeffrey T.; Curtiss, Larry A.

    2015-12-01

    Amorphous silica (SiO2) is commonly used as a support in heterogeneous catalysis. However, due to the structural disorder and temperature induced change of surface morphology, the structures of silica supported metal catalysts are difficult to determine. Most studies are primarily focused on understanding the interactions of different types of surface hydroxyl groups with metal ions. In comparison, the effect of siloxane ring size on the structure of silica supported metal catalysts and how it affects catalytic activity is poorly understood. Here, we have used density functional theory calculations to understand the effect of siloxane ring strain on structure and activity of different monomeric Lewis acid metal sites on silica. In particular, we have found that large siloxane rings favor strong dative bonding interaction between metal ion and surface hydroxyls, leading to the formation of high-coordinate metal sites. In comparison, metal-silanol interaction is weak in small siloxane rings, resulting in low-coordinate metal sites. The physical origin of this size dependence is associated with siloxane ring strain, and, a correlation between metal-silanol interaction energy and ring strain energy has been observed. In addition to ring strain, the strength of the metal-silanol interaction also depends on the positive charge density of the cations. In fact, a correlation also exists between metal-silanol interaction energy and charge density of several first-row transition and post-transition metals. The theoretical results are compared with the EXAFS data of monomeric Zn(II) and Ga(III) ions grafted on silica. The molecular level insights of how metal ion coordination on silica depends on siloxane ring strain and cation charge density will be useful in the synthesis of new catalysts.

  19. Transcriptome analysis of the human T lymphocyte cell line Jurkat and human peripheral blood mononuclear cells exposed to deoxynivalenol (DON): New mechanistic insights

    SciTech Connect (OSTI)

    Katika, Madhumohan R.; Department of Health Risk Analysis and Toxicology, Maastricht University; Netherlands Toxicogenomics Centre ; Hendriksen, Peter J.M.; Netherlands Toxicogenomics Centre ; Shao, Jia; Department of Health Risk Analysis and Toxicology, Maastricht University; Netherlands Toxicogenomics Centre ; Loveren, Henk van; National Institute for Public Health and the Environment , Bilthoven; Netherlands Toxicogenomics Centre ; Peijnenburg, Ad; Netherlands Toxicogenomics Centre

    2012-10-01

    Deoxynivalenol (DON) or vomitoxin is a commonly encountered type-B trichothecene mycotoxin, produced by Fusarium species predominantly found in cereals and grains. DON is known to exert toxic effects on the gastrointestinal, reproductive and neuroendocrine systems, and particularly on the immune system. Depending on dose and exposure time, it can either stimulate or suppress immune function. The main objective of this study was to obtain a deeper insight into DON-induced effects on lymphoid cells. For this, we exposed the human T-lymphocyte cell line Jurkat and human peripheral blood mononuclear cells (PBMCs) to various concentrations of DON for various times and examined gene expression changes by DNA microarray analysis. Jurkat cells were exposed to 0.25 and 0.5 ?M DON for 3, 6 and 24 h. Biological interpretation of the microarray data indicated that DON affects various processes in these cells: It upregulates genes involved in ribosome structure and function, RNA/protein synthesis and processing, endoplasmic reticulum (ER) stress, calcium-mediated signaling, mitochondrial function, oxidative stress, the NFAT and NF-?B/TNF-? pathways, T cell activation and apoptosis. The effects of DON on the expression of genes involved in ER stress, NFAT activation and apoptosis were confirmed by qRT-PCR. Other biochemical experiments confirmed that DON activates calcium-dependent proteins such as calcineurin and M-calpain that are known to be involved in T cell activation and apoptosis. Induction of T cell activation was also confirmed by demonstrating that DON activates NFATC1 and induces its translocation from the cytoplasm to the nucleus. For the gene expression profiling of PBMCs, cells were exposed to 2 and 4 ?M DON for 6 and 24 h. Comparison of the Jurkat microarray data with those obtained with PBMCs showed that most of the processes affected by DON in the Jurkat cell line were also affected in the PBMCs. -- Highlights: ? The human T cell line Jurkat and human PBMCs were exposed to DON. ? Whole-genome microarray experiments were performed. ? Microarray data indicates that DON affects ribosome and RNA/protein synthesis. ? DON treatment induces ER stress, calcium mediated signaling, NFAT and NF-?B. ? Exposure to DON induces T cell activation, oxidative stress and apoptosis.

  20. Human KZNF Gene Catalog - A comprehensive catalog of human KRAB-associated zinc finger genes: insights into the evolutionary history of a large family of transcriptional repressors

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

    Huntley, S; Baggott, D. M.; Hamilton, A. T.; Tran-Gyamfi, M.; Yang, S.; Kim, J.; Gordon, L.; Branscomb, E.; Stubbs, L.

    Kruppel-type zinc finger (ZNF) motifs are prevalent components of transcription factor proteins in all eukaryotes. KRAB-ZNF proteins, in which a potent repressor domain is attached to a tandem array of DNA-binding zinc-finger motifs, are specific to tetrapod vertebrates and represent the largest class of ZNF proteins in mammals. To define the full repertoire of human KRAB-ZNF proteins, we searched the genome sequence for key motifs and then constructed and manually curated gene models incorporating those sequences. The resulting gene catalog contains 423 KRAB-ZNF protein-coding loci, yielding alternative transcripts that altogether predict at least 742 structurally distinct proteins. Active rounds of segmental duplication, involving single genes or larger regions and including both tandem and distributed duplication events, have driven the expansion of this mammalian gene family. Comparisons between the human genes and ZNF loci mined from the draft mouse, dog, and chimpanzee genomes not only identified 103 KRAB-ZNF genes that are conserved in mammals but also highlighted a substantial level of lineage-specific change; at least 136 KRAB-ZNF coding genes are primate specific, including many recent duplicates. KRAB-ZNF genes are widely expressed and clustered genes are typically not coregulated, indicating that paralogs have evolved to fill roles in many different biological processes. To facilitate further study, we have developed a Web-based public resource with access to gene models, sequences, and other data, including visualization tools to provide genomic context and interaction with other public data sets. [This abstract was copied from: S Huntley, DM Baggott, AT Hamilton, M Tran-Gyamfi, S Yang, J Kim, L Gordon, E Branscomb, and L Stubbs. 2006. A comprehensive catalog of human KRAB-associated zinc finger genes: insights into the evolutionary history of a large family of transcriptional repressors, Genome Research 16(5):669 - 677] The website provides the ability to search the online catalog by genomic coordinates, name, locus type, and motifs, to utilize a graphical browser and to download data files.

  1. Appendix A-How the Survey Was Conducted

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

    a comparison between the 1994 and previous years RTECS designs; (2) the sample design; (3) the data-collection procedures; (4) the Vehicle Identification Number (VIN); (5)...

  2. Household Vehicles Energy Consumption 1991

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

    a comparison between the 1991 and previous years RTECS designs; (2) the sample design; (3) the data-collection procedures; (4) the Vehicle Identification Number (VIN); (5)...

  3. Applied Solutions Webinar: Insights Into District Energy

    Broader source: Energy.gov [DOE]

    Local governments and their communities that inhabit dense locations can take advantage of district heating and/or cooling systems as a way to increase energy efficiency and reliability while...

  4. New Insights into the EMC Effect

    SciTech Connect (OSTI)

    Douglas Higinbotham

    2012-08-17

    Deep-inelastic scattering cross section ratios plotted as a function of the Bjorken scaling variable, xB, show an unexpected structure indicating that partonic structure in nuclei is different than in free nucleons. This phenomenon is commonly referred to as the EMC effect. Recent Jefferson Lab experimental data showed that the slope of the EMC effect in the 0.3 < xB > 0.7 region scales as the local nuclear density rather than the average nuclear density. This result lead to the comparison of xB>1 short-range correlation plateaus, also a local density effect, to the magnitude of the EMC effect slopes and a clear linear relation was found. In this talk, I will discuss the EMC effect and the short-range correlation plateaus and what this phenomenological relationship between the two implies.

  5. Footprinting Technique Gives ALS Users New Insights

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

    detected," says Ralston. During XFP, the x-rays traveling through a solution generate hydroxyl radicals, which then modify the amino acids in the protein that are solvent...

  6. Insights into accelerated aging of SSL luminaires

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

    Davis, J. Lynn; Lamvik, Michael; Bittle, James; Shepherd, Sarah; Yaga, Robert; Baldasaro, Nick; Solano, Eric; Bobashev, Georgiy

    2013-09-30

    Although solid-state lighting (SSL) products are often intended to have product lifetimes of 15 years or more, the rapid change in technology has created a need for accelerated life tests (ALTs) that can be performed in the span of several months. A critical element of interpreting results from any systems-level ALT is understanding of the impact of the test environment on each component. Because of its ubiquity in electronics, the use of temperature-humidity environments as potential ALTs for SSL luminaires was investigated. Results from testing of populations of three commercial 6” downlights in environments of 85oC and 85% relative humiditymore » (RH) and 75oC and 75% RH are reported. These test environments were found to accelerate lumen depreciation of the entire luminaire optical system, including LEDs, lenses, and reflectors. The effects of aging were found to depend strongly on both the optical materials that were used and the design of the luminaire; this shows that the lumen maintenance behavior of SSL luminaires must be addressed at the optical systems level. Temperature-Humidity ALTs can be a useful test in understand lumainaire depreciation provided that proper consideration is given to the different aging rates of various materials. Since the impact of the temperature-humidity environment varies among components of the optical system, uniform aging of all system components in a single test is difficult to achieve.« less

  7. Footprinting Technique Gives ALS Users New Insights

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

    left: Research Scientist Sayan Gupta, Beamline 5.3.1 Scientist Rich Celestre, and BCSB Head Corie Ralston. XFP, a powerful technique for the study of macromolecular structures...

  8. Sandia National Laboratories: Global Insight, Inc. / Department...

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

    combining DRI (formerly Data Resources, Inc.) and WEFA (formerly Wharton Econometric Forecasting Associates). Due to copyrightdistribution laws being derived from a proprietary...

  9. Insights into Spring 2008 Gasoline Prices

    Reports and Publications (EIA)

    2008-01-01

    Gasoline prices rose rapidly in spring 2007 due a variety of factors, including refinery outages and lower than expected imports. This report explores those factors and looks at the implications for 2008.

  10. Footprinting Technique Gives ALS Users New Insights

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

    formation. The ALS XFP experts at Beamline 5.3.1. From left: Research Scientist Sayan Gupta, Beamline 5.3.1 Scientist Rich Celestre, and BCSB Head Corie Ralston. XFP, a powerful...

  11. Insights into accelerated aging of SSL luminaires

    SciTech Connect (OSTI)

    Davis, J. Lynn; Lamvik, Michael; Bittle, James; Shepherd, Sarah; Yaga, Robert; Baldasaro, Nick; Solano, Eric; Bobashev, Georgiy

    2013-09-30

    Although solid-state lighting (SSL) products are often intended to have product lifetimes of 15 years or more, the rapid change in technology has created a need for accelerated life tests (ALTs) that can be performed in the span of several months. A critical element of interpreting results from any systems-level ALT is understanding of the impact of the test environment on each component. Because of its ubiquity in electronics, the use of temperature-humidity environments as potential ALTs for SSL luminaires was investigated. Results from testing of populations of three commercial 6 downlights in environments of 85oC and 85% relative humidity (RH) and 75oC and 75% RH are reported. These test environments were found to accelerate lumen depreciation of the entire luminaire optical system, including LEDs, lenses, and reflectors. The effects of aging were found to depend strongly on both the optical materials that were used and the design of the luminaire; this shows that the lumen maintenance behavior of SSL luminaires must be addressed at the optical systems level. Temperature-Humidity ALTs can be a useful test in understand lumainaire depreciation provided that proper consideration is given to the different aging rates of various materials. Since the impact of the temperature-humidity environment varies among components of the optical system, uniform aging of all system components in a single test is difficult to achieve.

  12. Footprinting Technique Gives ALS Users New Insights

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

    a more real-life representation of the protein. "XFP is really useful for looking at a protein changing in solution as a function of pH or salt concentration, for instance, or...

  13. Analyzing ocean mixing reveals insight on climate

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

    Los Alamos National Laboratory Nancy Ambrosiano Communications Office (505) 667-0471 Email "Not only does each particle tell us about the ocean currents, but groups of particles ...

  14. Renewable Electricity: Insights for the Coming Decade

    SciTech Connect (OSTI)

    Stark, C.; Pless, J.; Logan, J.; Zhou, E.; Arent, D. J.

    2015-02-01

    A sophisticated set of renewable electricity (RE) generation technologies is now commercially available. Globally, RE captured approximately half of all capacity additions since 2011. The cost of RE is already competitive with fossil fuels in some areas around the world, and prices are anticipated to continue to decline over the next decade. RE options, led by wind and solar, are part of a suite of technologies and business solutions that are transforming electricity sectors around the world. Renewable deployment is expected to continue due to: increasingly competitive economics; favorable environmental characteristics such as low water use, and minimal local air pollution and greenhouse gas (GHG) emissions; complementary risk profiles when paired with natural gas generators; strong support from stakeholders. Despite this positive outlook for renewables, the collapse in global oil prices since mid-2014 and continued growth in natural gas supply in the United States--due to the development of low-cost shale gas--raise questions about the potential impacts of fossil fuel prices on RE. Today, oil plays a very minor role in the electricity sectors of most countries, so direct impacts on RE are likely to be minimal (except where natural gas prices are indexed on oil). Natural gas and RE generating options appear to be more serious competitors than oil and renewables. Low gas prices raise the hurdle for RE to be cost competitive. Additionally, although RE emits far less GHG than natural gas, both natural gas and RE offer the benefits of reducing carbon relative to coal and oil (see Section 4.1 for more detail on the GHG intensity of electricity technologies). However, many investors and decision makers are becoming aware of the complementary benefits of pairing natural gas and renewables to minimize risk of unstable fuel prices and maintain the reliability of electricity to the grid.

  15. DOE Research and Development Accomplishments Interesting Insights

    Office of Scientific and Technical Information (OSTI)

    Medicine on the Move nuclear medicine, including radiation and cancer therapy Cancer Therapy what drives muscle and nerve activity MacKinnon water channels Agre ...

  16. Insight in the multilevel regulation of NER

    SciTech Connect (OSTI)

    Dijk, Madelon; Typas, Dimitris; Mullenders, Leon; Pines, Alex

    2014-11-15

    Nucleotide excision repair (NER) is a key component of the DNA damage response (DDR) and it is essential to safeguard genome integrity against genotoxic insults. The regulation of NER is primarily mediated by protein post-translational modifications (PTMs). The NER machinery removes a wide spectrum of DNA helix distorting lesions, including those induced by solar radiation, through two sub-pathways: global genome nucleotide excision repair (GG-NER) and transcription coupled nucleotide excision repair (TC-NER). Severe clinical consequences associated with inherited NER defects, including premature ageing, neurodegeneration and extreme cancer-susceptibility, underscore the biological relevance of NER. In the last two decades most of the core NER machinery has been elaborately described, shifting attention to molecular mechanisms that either facilitate NER in the context of chromatin or promote the timely and accurate interplay between NER factors and various post-translational modifications. In this review, we summarize and discuss the latest findings in NER. In particular, we focus on emerging factors and novel molecular mechanisms by which NER is regulated.

  17. Analysis Insights: Energy Storage - Possibilities for Expanding...

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

    ... energy basis without the need for energy storage * Up to 35% variable generation with the introduction of lower-cost flexibility options such as greater use of demand response. ...

  18. Fact #873: May 18, 2015 Plug-In Vehicle Sales Total Nearly 120...

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

    the Nissan Leaf, Chevrolet Volt, Tesla Model S, Toyota Prius PHEV, and Ford Fusion Energi. ... Panamera S E-Hybrid 0 0 0 51 879 Ford Fusion Energi 0 0 0 6,089 11,550 Honda Accord 0 ...

  19. Cost Effective Bioethanol via Acid Pretreatment of Corn Stover, Saccharification, and Conversion via a Novel Fermentation Organism: Cooperative Research and Development Final Report, CRADA Number: CRD-12-485

    SciTech Connect (OSTI)

    Dowe, N.

    2014-05-01

    This research program will convert acid pretreated corn stover to sugars at the National Renewable Energy Laboratory (NREL) and then transfer these sugars to Honda R&D and its partner the Green Earth Institute (GEI) for conversion to ethanol via a novel fermentation organism. In phase one, NREL will adapt its pretreatment and saccharification process to the unique attributes of this organism, and Honda R&D/GEI will increase the sugar conversion rate as well as the yield and titer of the resulting ethanol. In later phases, NREL, Honda R&D, and GEI will work together at NREL to optimize and scale-up to pilot-scale the Honda R&D/GEI bioethanol production process. The final stage will be to undertake a pilot-scale test at NREL of the optimized bioethanol conversion process.

  20. Fact #779: May 13, 2013 EPA's Top Ten Rated Vehicles List for...

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

    Gallon 1. 2013 Scion iQ EV Electric Vehicle, Auto (AV) Combined 121 City 138Highway 105 2. 2013 Honda Fit EV Electric Vehicle, Auto (A1) Combined 118 City 132Highway 105 3. 2013 ...

  1. Fact #770: March 11, 2013 Changes to the Top Ten Vehicles Sold...

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

    and CR-V were not even on the top ten list for the first time in many years, and the Toyota Corolla and Honda Accord were near the bottom of the list. The Ford Escape and the...

  2. The Year of the Fuel Cell: Looking Back to Get Ahead | Department of Energy

    Office of Environmental Management (EM)

    The Year of the Fuel Cell: Looking Back to Get Ahead The Year of the Fuel Cell: Looking Back to Get Ahead January 22, 2016 - 12:15pm Addthis Toyota's Mirai, Hyundai's Tucson, and Honda's Clarity, the first commercially available fuel cell electric vehicles (FCEVs) in the United States. They are currently on display at the 2016 Washington Auto Show | Photos by Simon Edelman, Energy Department Toyota's Mirai, Hyundai's Tucson, and Honda's Clarity, the first commercially available fuel cell

  3. Hybrid Electric Vehicle Fleet and Baseline Performance Testing

    SciTech Connect (OSTI)

    J. Francfort; D. Karner

    2006-04-01

    The U.S. Department of Energys Advanced Vehicle Testing Activity (AVTA) conducts baseline performance and fleet testing of hybrid electric vehicles (HEV). To date, the AVTA has completed baseline performance testing on seven HEV models and accumulated 1.4 million fleet testing miles on 26 HEVs. The HEV models tested or in testing include: Toyota Gen I and Gen II Prius, and Highlander; Honda Insight, Civic and Accord; Chevrolet Silverado; Ford Escape; and Lexus RX 400h. The baseline performance testing includes dynamometer and closed track testing to document the HEVs fuel economy (SAE J1634) and performance in a controlled environment. During fleet testing, two of each HEV model are driven to 160,000 miles per vehicle within 36 months, during which maintenance and repair events, and fuel use is recorded and used to compile life-cycle costs. At the conclusion of the 160,000 miles of fleet testing, the SAE J1634 tests are rerun and each HEV battery pack is tested. These AVTA testing activities are conducted by the Idaho National Laboratory, Electric Transportation Applications, and Exponent Failure Analysis Associates. This paper discusses the testing methods and results.

  4. Mervyn Hine's Contribution

    ScienceCinema (OSTI)

    None

    2011-04-25

    Cérémonie avec plusieurs discours (qui?) et remarques pour honorer la contribution de Marvyn Hine qui prendra sa retraite. La célébration sera suivie d'un "vin d'honneur".

  5. Buckling of microtubules: An insight by molecular and continuum mechanics

    SciTech Connect (OSTI)

    Zhang, Jin; Meguid, S. A.

    2014-10-27

    The molecular structural mechanics method has been extended to investigate the buckling of microtubules (MTs) with various configurations. The results indicate that for relative short MTs the shear deformation effect, rather than the nonlocal effect, is mainly responsible for the limitation of their widely used Euler beam description and the observed length-dependence of their bending stiffness. In addition, the configuration effect of MTs is also studied and considered as an explanation for the large scattering of the critical buckling force and bending stiffness observed in existing experiments. This configuration effect is also found to mainly originate from the geometry of the MTs and is mainly determined by the protofilament number.

  6. Malaria and global change: Insights, uncertainties and possible surprises

    SciTech Connect (OSTI)

    Martin, P.H.; Steel, A.

    1996-12-31

    Malaria may change with global change. Indeed, global change may affect malaria risk and malaria epidemiology. Malaria risk may change in response to a greenhouse warming; malaria epidemiology, in response to the social, economic, and political developments which a greenhouse warming may trigger. To date, malaria receptivity and epidemiology futures have been explored within the context of equilibrium studies. Equilibrium studies of climate change postulate an equilibrium present climate (the starting point) and a doubled-carbon dioxide climate (the end point), simulate conditions in both instances, and compare the two. What happens while climate changes, i.e., between the starting point and the end point, is ignored. The present paper focuses on malaria receptivity and addresses what equilibrium studies miss, namely transient malaria dynamics.

  7. Enzyme Structure Provides Insights into Cancer and Aging

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

    who controlled the thread of life. In modern times, DNA is the thread of life and genes rather than goddesses determine a person's biological fate. Certain genes, when...

  8. Insights from Hydrogen Refueling Station Manufacturing Competitiveness Analysis

    SciTech Connect (OSTI)

    Mayyas, Ahmad

    2015-12-18

    In work for the Clean Energy Manufacturing Analysis Center (CEMAC), NREL is currently collaborating with Great Lakes Wind Network in conducting a comprehensive hydrogen refueling stations manufacturing competitiveness and supply chain analyses. In this project, CEMAC will be looking at several metrics that will facilitate understanding of the interactions between and within the HRS supply chain, such metrics include innovation potential, intellectual properties, learning curves, related industries and clustering, existing supply chains, ease of doing business, and regulations and safety. This presentation to Fuel Cell Seminar and Energy Exposition 2015 highlights initial findings from CEMAC's analysis.

  9. Towards a deeper insight into strongly correlated electron systems...

    Office of Scientific and Technical Information (OSTI)

    electron systems- the symbiosis between experiment and theory Authors: Fischer, Peter Publication Date: 2007-03-01 OSTI Identifier: 926613 Report Number(s): LBNL--63253 R&D...

  10. Insight into hydrogenation of graphene: Effect of hydrogen plasma chemistry

    SciTech Connect (OSTI)

    Felten, A.; Nittler, L.; Pireaux, J.-J.; McManus, D.; Rice, C.; Casiraghi, C.

    2014-11-03

    Plasma hydrogenation of graphene has been proposed as a tool to modify the properties of graphene. However, hydrogen plasma is a complex system and controlled hydrogenation of graphene suffers from a lack of understanding of the plasma chemistry. Here, we correlate the modifications induced on monolayer graphene studied by Raman spectroscopy with the hydrogen ions energy distributions obtained by mass spectrometry. We measure the energy distribution of H{sup +}, H{sub 2}{sup +}, and H{sub 3}{sup +} ions for different plasma conditions showing that their energy strongly depends on the sample position, pressure, and plasma power and can reach values as high as 45?eV. Based on these measurements, we speculate that under specific plasma parameters, protons should possess enough energy to penetrate the graphene sheet. Therefore, a graphene membrane could become, under certain conditions, transparent to both protons and electrons.

  11. High-Pressure MOF Research Yields Structural Insights

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

    field of crystal engineering and stand to potentially revolutionize the field of solid-state chemistry. The narrow definition of these materials is still under debate; however,...

  12. High-Pressure MOF Research Yields Structural Insights

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

    The O1-Zn1-O2' internal angle increases from 109.54(8) to 114.7(3). ': -x+1,-y+1,-z+2. By applying up to 9.9 GPa of external applied pressure in increments increasing from...

  13. High-Pressure MOF Research Yields Structural Insights

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

    The narrow definition of these materials is still under debate; however, the broad definition includes compounds exhibiting some level of dimensionality that are composed of...

  14. Enzyme Structure Provides Insights into Cancer and Aging

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

    protein are responsible for three different human diseases: in xeroderma pigmentosum (XP), extreme sensitivity to sunlight promotes cancer; Cockayne syndrome (CS) involves...

  15. Structure of a helicase-helicase loader complex reveals insights...

    Office of Scientific and Technical Information (OSTI)

    Here, to provide a better understanding of this key process, we report the crystal structure of the 570-kDa prepriming complex between the Bacillus subtilis loader protein and the ...

  16. Insight from Fukushima Daiichi Unit 3 Investigations using MELCOR

    SciTech Connect (OSTI)

    Robb, Kevin R.; Francis, Matthew W.; Ott, Larry J.

    2014-01-01

    During the emergency response period of the accidents that took place at Fukushima Daiichi in March of 2011, researchers at Oak Ridge National Laboratory (ORNL) conducted a number of studies using the MELCOR code to help understand what was occurring and what had occurred. During the post-accident period, the Department of Energy (DOE) and the US Nuclear Regulatory Commission (NRC) jointly sponsored a study of the Fukushima Daiichi accident with collaboration among Oak Ridge, Sandia, and Idaho national laboratories. The purpose of the study was to compile relevant data, reconstruct the accident progression using computer codes, assess the codes predictive capabilities, and identify future data needs. The current paper summarizes some of the early MELCOR simulations and analyses conducted at ORNL of the Fukushima Daiichi Unit 3 accident. Extended analysis and discussion of the Unit 3 accident is also presented taking into account new knowledge and modeling refinements made since the joint DOE/NRC study.

  17. Insight into Sulfur Reactions in LiS Batteries

    SciTech Connect (OSTI)

    Xu, Rui; Belharouak, Ilias; Zhang, Xiaofeng; chamoun, rita; Yu, Cun; Ren, Yang; Nie, Anmin; Reza, Shahbazian-Yassar; Lu, Jun; Li, James C.M.; Amine, Khalil

    2014-12-09

    Understanding and controlling the sulfur reduction species (Li2Sx, 1 ? x ? 8) under realistic battery conditions are essential for the development of advanced practical LiS cells that can reach their full theoretical capacity. However, it has been a great challenge to probe the sulfur reduction intermediates and products because of the lack of methods. This work employed various ex situ and in situ methods to study the mechanism of the LiS redox reactions and the properties of Li2Sx and Li2S. Synchrotron high-energy X-ray diffraction analysis used to characterize dry powder deposits from lithium polysulfide solution suggests that the new crystallite phase may be lithium polysulfides. The formation of Li2S crystallites with a polyhedral structure was observed in cells with both the conventional (LiTFSI) electrolyte and polysulfide-based electrolyte. In addition, an in situ transmission electron microscopy experiment observed that the lithium diffusion to sulfur during discharge preferentially occurred at the sulfur surface and formed a solid Li2S crust. This may be the reason for the capacity fade in LiS cells (as also suggested by EIS experiment in Supporting Information). The results can be a guide for future studies and control of the sulfur species and meanwhile a baseline for approaching the theoretical capacity of the LiS battery.

  18. Technology Insights and Perspectives for Nuclear Fuel Cycle Concepts

    SciTech Connect (OSTI)

    S. Bays; S. Piet; N. Soelberg; M. Lineberry; B. Dixon

    2010-09-01

    The following report provides a rich resource of information for exploring fuel cycle characteristics. The most noteworthy trends can be traced back to the utilization efficiency of natural uranium resources. By definition, complete uranium utilization occurs only when all of the natural uranium resource can be introduced into the nuclear reactor long enough for all of it to undergo fission. Achieving near complete uranium utilization requires technologies that can achieve full recycle or at least nearly full recycle of the initial natural uranium consumed from the Earth. Greater than 99% of all natural uranium is fertile, and thus is not conducive to fission. This fact requires the fuel cycle to convert large quantities of non-fissile material into fissile transuranics. Step increases in waste benefits are closely related to the step increase in uranium utilization going from non-breeding fuel cycles to breeding fuel cycles. The amount of mass requiring a disposal path is tightly coupled to the quantity of actinides in the waste stream. Complete uranium utilization by definition means that zero (practically, near zero) actinide mass is present in the waste stream. Therefore, fuel cycles with complete (uranium and transuranic) recycle discharge predominately fission products with some actinide process losses. Fuel cycles without complete recycle discharge a much more massive waste stream because only a fraction of the initial actinide mass is burned prior to disposal. In a nuclear growth scenario, the relevant acceptable frequency for core damage events in nuclear reactors is inversely proportional to the number of reactors deployed in a fuel cycle. For ten times the reactors in a fleet, it should be expected that the fleet-average core damage frequency be decreased by a factor of ten. The relevant proliferation resistance of a fuel cycle system is enhanced with: decreasing reliance on domestic fuel cycle services, decreasing adaptability for technology misuse, enablement of material accountability, and decreasing material attractiveness.

  19. Metagenomic Insights into Evolution of a Heavy Metal-Contaminated...

    Office of Scientific and Technical Information (OSTI)

    microbial communities ranging from human health to agriculture to environmental ... DOE Contract Number: DE-AC02-05CH11231 Resource Type: Journal Article Resource Relation: ...

  20. Radiation tolerance of nanocrystalline ceramics: Insights from yttria stabilized zirconia

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

    Dey, Sanchita; Drazin, John W.; Wang, Yongqiang; Valdez, James A.; Holesinger, Terry G.; Uberuaga, Blas P.; Castro, Ricardo H. R.

    2015-01-13

    Materials for applications in hostile environments, such as nuclear reactors or radioactive waste immobilization, require extremely high resistance to radiation damage, such as resistance to amorphization or volume swelling. Nanocrystalline materials have been reported to present exceptionally high radiation-tolerance to amorphization. In principle, grain boundaries that are prevalent in nanomaterials could act as sinks for point-defects, enhancing defect recombination. In this paper we present evidence for this mechanism in nanograined Yttria Stabilized Zirconia (YSZ), associated with the observation that the concentration of defects after irradiation using heavy ions (Kr⁺, 400 keV) is inversely proportional to the grain size. HAADF imagesmore » suggest the short migration distances in nanograined YSZ allow radiation induced interstitials to reach the grain boundaries on the irradiation time scale, leaving behind only vacancy clusters distributed within the grain. Because of the relatively low temperature of the irradiations and the fact that interstitials diffuse thermally more slowly than vacancies, this result indicates that the interstitials must reach the boundaries directly in the collision cascade, consistent with previous simulation results. Concomitant radiation-induced grain growth was observed which, as a consequence of the non-uniform implantation, caused cracking of the nano-samples induced by local stresses at the irradiated/non-irradiated interfaces.« less

  1. 'Insights of the Decade' Enabled by NERSC - NERSC Center News...

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

    sky. Planck is observing the sky at nine wavelengths of light, ranging from infrared to radio waves. The result is a windfall of data on known and never-before-seen cosmic...

  2. Structural Insights into KCTD Protein Assembly and Cullin3 Recognition...

    Office of Scientific and Technical Information (OSTI)

    Resource Type: Journal Article Resource Relation: Journal Name: Journal of Molecular Biology; Journal Volume: 428; Journal Issue: (1) ; 01, 2016 Publisher: Elsevier Research Org: ...

  3. Insights into Autoregulation of Notch3 from Structural and Functional...

    Office of Scientific and Technical Information (OSTI)

    Rajiv ; Fryer, Christy ; Blacklow, Stephen C. 1 ; Novartis) 2 ; Maastricht) 2 ; Harvard-Med) 2 ; BWH) 2 + Show Author Affiliations (DFCI) ( Publication Date: 2015-07-01 ...

  4. Criegee intermediates in the indoor environment. New insights

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

    Shallcross, D. E.; Taatjes, C. A.; Percival, C. J.

    2014-03-25

    Criegee intermediates are formed in the ozonolysis of alkenes and play an important role in indoor chemistry, notably as a source of OH radicals. Recent studies have shown that these Criegee intermediates react very quickly with NO2, SO2, and carbonyls, and in this study, steady-state calculations are used to inspect the potential impact of these data on indoor chemistry. It is shown that these reactions could accelerate NO3 formation and SO2 removal in the indoor environment significantly. In addition, reaction between Criegee intermediates and halogenated carbonyls could provide a significant loss process indoors, where currently one does not exist.

  5. Throughput to Insight and Tackling the Messy Bits Between

    SciTech Connect (OSTI)

    Glasscock, Jarret [Cofactor Genomics

    2009-05-28

    Jarret Glasscock of Cofactor Genomics talks about short-read platforms at the "Sequencing, Finishing, Analysis in the Future" meeting in Santa Fe, NM

  6. Ecofys-Nationally Appropriate Mitigation Actions: Insights from...

    Open Energy Info (EERE)

    Topics: Low emission development planning, Policiesdeployment programs Resource Type: Lessons learnedbest practices Website: www.ecofys.comcompublications...

  7. EM Gains Insight from Germany on Salt-Based Repositories

    Broader source: Energy.gov [DOE]

    KARLSRUHE and PEINE, Germany – EM officials recently took part in workshops in Germany to benefit from the exchange of research and experience operating salt-based repositories for radioactive waste.

  8. High-Pressure MOF Research Yields Structural Insights

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

    of research. As research has identified potential industrial viability for these materials, there has risen a need to better understand their mechanical and physical...

  9. INSIGHTS INTO FILAMENT ERUPTION ONSET FROM SOLAR DYNAMICS OBSERVATORY OBSERVATIONS

    SciTech Connect (OSTI)

    Sterling, Alphonse C.; Moore, Ronald L.; Freeland, Samuel L. E-mail: ron.moore@nasa.gov

    2011-04-10

    We examine the buildup to and onset of an active region filament confined eruption of 2010 May 12, using EUV imaging data from the Solar Dynamics Observatory (SDO) Atmospheric Imaging Array and line-of-sight magnetic data from the SDO Helioseismic and Magnetic Imager. Over the hour preceding eruption the filament undergoes a slow rise averaging {approx}3 km s{sup -1}, with a step-like trajectory. Accompanying a final rise step {approx}20 minutes prior to eruption is a transient preflare brightening, occurring on loops rooted near the site where magnetic field had canceled over the previous 20 hr. Flow-type motions of the filament are relatively smooth with speeds {approx}50 km s{sup -1} prior to the preflare brightening and appear more helical, with speeds {approx}50-100 km s{sup -1}, after that brightening. After a final plateau in the filament's rise, its rapid eruption begins, and concurrently an outer shell 'cocoon' of the filament material increases in emission in hot EUV lines, consistent with heating in a newly formed magnetic flux rope. The main flare brightenings start {approx}5 minutes after eruption onset. The main flare arcade begins between the legs of an envelope-arcade loop that is nearly orthogonal to the filament, suggesting that the flare results from reconnection among the legs of that loop. This progress of events is broadly consistent with flux cancellation leading to formation of a helical flux rope that subsequently erupts due to onset of a magnetic instability and/or runaway tether cutting.

  10. Atomistic insights into aqueous corrosion of copper. (Journal...

    Office of Scientific and Technical Information (OSTI)

    Increased concentration of chlorine and higher ambient temperature were found to expedite the corrosion of copper. In order to study the effect of solution states on the corrosion ...

  11. Structural Insights into FeMo Cofactor Biosynthesis

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

    a catalytic component and a specific reductase, which, in the standard system, are referred to as the MoFe protein and the Fe protein. At the active site of the...

  12. Insights into bilaterian evolution from three spiralian genomes

    SciTech Connect (OSTI)

    Simakov, Oleg; Marletaz, Ferdinand; Cho, Sung-Jin; Edsinger-Gonzales, Eric; Havlak, Paul; Hellsten, Uffe; Kuo, Dian-Han; Larsson, Tomas; Lv, Jie; Arendt, Detlev; Savage, Robert; Osoegawa, Kazutoyo; de Jong, Pieter; Grimwood, Jane; Chapman, Jarrod A.; Shapiro, Harris; Otillar, Robert P.; Terry, Astrid Y.; Boore, Jeffrey L.; Grigoriev, Igor V.; Lindberg, David R.; Seaver, Elaine C.; Weisblat, David A.; Putnam, Nicholas H.; Rokhsar, Daniel S.; Aerts, Andrea

    2012-01-07

    Current genomic perspectives on animal diversity neglect two prominent phyla, the molluscs and annelids, that together account for nearly one-third of known marine species and are important both ecologically and as experimental systems in classical embryology1, 2, 3. Here we describe the draft genomes of the owl limpet (Lottia gigantea), a marine polychaete (Capitella teleta) and a freshwater leech (Helobdella robusta), and compare them with other animal genomes to investigate the origin and diversification of bilaterians from a genomic perspective. We find that the genome organization, gene structure and functional content of these species are more similar to those of some invertebrate deuterostome genomes (for example, amphioxus and sea urchin) than those of other protostomes that have been sequenced to date (flies, nematodes and flatworms). The conservation of these genomic features enables us to expand the inventory of genes present in the last common bilaterian ancestor, establish the tripartite diversification of bilaterians using multiple genomic characteristics and identify ancient conserved long- and short-range genetic linkages across metazoans. Superimposed on this broadly conserved pan-bilaterian background we find examples of lineage-specific genome evolution, including varying rates of rearrangement, intron gain and loss, expansions and contractions of gene families, and the evolution of clade-specific genes that produce the unique content of each genome.

  13. Sodium channel activation mechanisms. Insights from deuterium oxide substitution

    SciTech Connect (OSTI)

    Alicata, D.A.; Rayner, M.D.; Starkus, J.G. )

    1990-04-01

    Schauf and Bullock, using Myxicola giant axons, demonstrated that solvent substitution with deuterium oxide (D2O) significantly affects both sodium channel activation and inactivation kinetics without corresponding changes in gating current or tail current rates. They concluded that (a) no significant component of gating current derives from the final channel opening step, and (b) channels must deactivate (during tail currents) by a different pathway from that used in channel opening. By contrast, Oxford found in squid axons that when a depolarizing pulse is interrupted by a brief (approximately 100 microseconds) return to holding potential, subsequent reactivation (secondary activation) is very rapid and shows almost monoexponential kinetics. Increasing the interpulse interval resulted in secondary activation rate returning towards control, sigmoid (primary activation) kinetics. He concluded that channels open and close (deactivate) via the same pathway. We have repeated both sets of observations in crayfish axons, confirming the results obtained in both previous studies, despite the apparently contradictory conclusions reached by these authors. On the other hand, we find that secondary activation after a brief interpulse interval (50 microseconds) is insensitive to D2O, although reactivation after longer interpulse intervals (approximately 400 microseconds) returns towards a D2O sensitivity similar to that of primary activation. We conclude that D2O-sensitive primary activation and D2O-insensitive tail current deactivation involve separate pathways. However, D2O-insensitive secondary activation involves reversal of the D2O-insensitive deactivation step. These conclusions are consistent with parallel gate models, provided that one gating particle has a substantially reduced effective valence.

  14. A Minnesota Blizzard Provides Insight into Utility-Scale Wind...

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

    Anthony Falls Laboratory researcher uses blizzard conditions to help visualize wind ... Anthony Falls Laboratory and the Eolos Wind Energy Research Center. "Who would have ever ...

  15. High-Pressure MOF Research Yields Structural Insights

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

    the field of crystal engineering and stand to potentially revolutionize the field of solid-state chemistry. The narrow definition of these materials is still under debate;...

  16. New Insight into the Pygmy Dipole Resonance in Stable Nuclei

    SciTech Connect (OSTI)

    Neumann-Cosel, P. von

    2008-11-11

    Two examples of recent work on the structure of low-energy electric dipole modes are presented. The first part discusses the systematics of the pygmy dipole resonance (PDR) in stable tin isotopes deduced from high-resolution ({gamma},{gamma}') experiments. These help to distinguish between microscopic QRPA calculations based on either a relativistic or a nonrelativistic mean-field description, predicting significantly different properties of the PDR. The second part presents attempts to unravel the structure of dipoles modes at energies below the giant dipole resonance (GDR) in {sup 208}Pb with a high-resolution measurement of the (p-vector,p-vector') reaction under 0 deg.

  17. Converting Methane to Methanol: Structural Insight into the Reaction Center

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

    of Particulate Methane Monooxygenase 3 Raquel L. Lieberman,* Amy C. Rosenzweig,* and Timothy L. Stemmler# *Depts. of Biochemistry, Molecular Biology, and Cell Biology and of Chemistry, Northwestern University, Evanston, Illinois 60208, USA #Dept. of Biochemistry and Molecular Biology, Wayne State University, School of Medicine, Detroit, Michigan 48201, USA. Methane-oxidizing bacteria (methanotrophs) are extremely attractive from a chemist's perspective because these organisms convert methane

  18. NREL Simulations Provide New Insight on Polymer-Based Energy...

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

    simulations correlate molecular packing and electron transport in polymer-based energy storage materials. In recent years, stable organic radical functional groups have been...

  19. High-Pressure MOF Research Yields Structural Insights

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

    understanding of the applicability of these materials, and thus the use of single-crystal x-ray diffraction is invaluable in this field of research. As research has identified...

  20. Structural and mechanistic insights into Mps1 kinase activation...

    Office of Scientific and Technical Information (OSTI)

    Intramolecular interactions between the key Glu residue in the alphaC helix of the ... residues in the loop between helices alphaEF and alphaF that are essential for ...

  1. High-Pressure MOF Research Yields Structural Insights

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

    of crystal engineering and stand to potentially revolutionize the field of solid-state chemistry. The narrow definition of these materials is still under debate; however, the...

  2. Making Sustainable Energy Choices: Insights on the Energy/Water...

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

    ... Garvin Heath. (2014). "Challenges in the Estimation of Greenhouse Gas Emissions from Biofuel-Induced Global Land-Use Change." Biofuels, Bioproducts and Biorefining (8:1). NREL...

  3. Course Title: Unconscious Bias: Insights For Inclusive Management [1]

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

    Course Title: Addressing Unconscious Bias in the EEO/HR/Training Process This 1- or 2-day training course explores Unconscious Bias & how it undermines impartiality, neutrality, & objectivity Agenda & Goals for the Session Unconscious Bias - where it comes from, how it manifests itself, and why its impact is so powerful "Best practices" for awareness, confronting, and overcoming unconscious bias Impact of unconscious bias, micro-inequities, & other forms of non-

  4. Scientists gain insight into origin of tungsten ditelluride's...

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

    Jared Sagoff at (630) 252-5549 or media@anl.gov. Connect Find an Argonne expert by subject. Follow Argonne on Twitter, Facebook, Google+ and LinkedIn. For inquiries on...

  5. Closer look at microorganism provides insight on carbon cycling...

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

    Brian Grabowski at media@anl.gov or (630) 252-1232. Connect Find an Argonne expert by subject. Follow Argonne on Twitter, Facebook, Google+ and LinkedIn. For inquiries on...

  6. New imaging technique provides improved insight into controlling...

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

    experiments By John Greenwald December 9, 2013 Tweet Widget Google Plus One Share on Facebook Graphic representation of 2D images of fluctuating electron temperatures in a...

  7. EM Official Shares Insight at Women’s Conference

    Broader source: Energy.gov [DOE]

    OAK RIDGE, Tenn. – Earlier this month, EM Associate Principal Deputy Assistant Secretary Monica Regalbuto participated in Oak Ridge’s annual women’s workshop. The conference, themed “All Hands In: Innovate and Collaborate,” was hosted by the Federal Women’s Program and the local chapter of Federally Employed Women.

  8. NREL Analysis Insights: Renewable Energy On The Grid, Redefining...

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

    ... A P R I L 2 0 1 5 A N A LY S I S I N S I G H T S Flexible Load - Demand Response Resources Demand response (DR) is a load management practice of deliberately reducing or adding ...

  9. New insights into regulating the gut's microbial community |...

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

    of microbiota-associated pathologies such as inflammatory bowel disease, obesity, diabetes, and celiac disease. Study: "Innate and Adaptive Humoral Responses Coat Distinct...

  10. Neutrons provide new insights into human cell behavior

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

    one potential application is to help prevent circulatory blockages that occur with diabetes and other serious illnesses. In addition to the researchers above, Mary Jo Waltman...

  11. Intern Shares Insight Into Researchers' Minds |GE Global Research

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

    (Opens in new window) The Quality of GE Researchers...and Why That's So Important Daniel Cadel 2014.08.14 GE Global Research asked some of our interns to share why they wanted...

  12. Structure of an Unusually Small RNA Switch Provides Insight into...

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

    needed for successful protein production by the processes of transcription or translation. Genetic regulation is achieved because the metabolite is often produced by a...

  13. Voices of Experience | Insights into Advanced Distribution Management...

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

    people in the industry on the leading edge of transforming their distribution systems. PDF icon Voices of Experience | Advanced Distribution Management Systems - February 2015...

  14. Voices of Experience: Insights on Smart Grid Customer Engagement...

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

    for dynamic pricing programs, demand response programs, distribution automation (e.g.; outage communication), and other technology such as home area network (HAN) devices. ...

  15. Enzyme Structure Provides Insights into Cancer and Aging

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

    by the Moirae, or the Three Fates, who controlled the thread of life. In modern times, DNA is the thread of life and genes rather than goddesses determine a person's biological...

  16. Fort Yukon Gains Heat and Insight with Biomass Project

    Broader source: Energy.gov [DOE]

    In 2005, residents of the Native Village of Fort Yukon were seeking a better, less costly way to heat the village’s common buildings and shared water system. At that time, leaders of the 600-person community eight miles north of the Arctic Circle began researching more efficient fuel options than diesel or fuel oil for their village, which is accessible by boat during the summer but only via snowmobiles and airplanes in the winter.

  17. Impact of Radiation Biology on Fundamental Insights in Biology

    DOE R&D Accomplishments [OSTI]

    Setlow, Richard B.

    1982-07-27

    Research supported by OHER [Office of Health and Environmental Research] and its predecessors has as one of its major goals an understanding of the effects of radiation at low doses and dose rates on biological systems, so as to predict their effects on humans. It is not possible to measure such effects directly. They must be predicted from basic knowledge on how radiation affects cellular components such as DNA and membranes and how cells react to such changes. What is the probability of radiation producing human mutations and what are the probabilities of radiation producing cancer? The end results of such studies are radiation exposure standards for workers and for the general population. An extension of these goals is setting standards for exposure to chemicals involved in various energy technologies. This latter problem is much more difficult because chemical dosimetry is a primitive state compared to radiation dosimetry.

  18. Model Year 2006: Alternative Fuel and Advanced Technology Vehicles

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Model Year 2006: Alternative Fuel and Advanced Technology Vehicles Fuel Type EPAct Compliant? Model Vehicle Type Emission Class Powertrain Fuel Capacity Range American Honda Motor Corporation 888-CCHONDA www.honda.com CNG Dedicated EPAct Yes Civic GX Compact Sedan SULEV Tier 2 Bin II 1.7L, 4-cylinder 8 GGE 200 mi HEV (NiMH) EPAct No Accord Hybrid Sedan ULEV 3.0L V6 144 volt NiMH + 17.1 Gal Gasoline TBD HEV (NiMH) EPAct No Civic Hybrid Sedan CA ULEV 1.3L, 4-cylinder 144 volt NiMH + 13.2 Gal

  19. EERE Energy Impacts: You Can Now Drive a Fuel Cell Electric Vehicle |

    Office of Environmental Management (EM)

    Department of Energy You Can Now Drive a Fuel Cell Electric Vehicle EERE Energy Impacts: You Can Now Drive a Fuel Cell Electric Vehicle April 10, 2015 - 11:45am Addthis Toyota Mirai FCEV (top left), Hyundai Tucson FCEV (top right), and Honda’s concept of its FCEV (bottom)—all showcased during the 2015 Washington Auto Show. | Photos by Sarah Gerrity, Energy Department Toyota Mirai FCEV (top left), Hyundai Tucson FCEV (top right), and Honda's concept of its FCEV (bottom)-all

  20. Vehicle Technologies Office: AVTA- Compressed Natural Gas Vehicles

    Broader source: Energy.gov [DOE]

    The Advanced Vehicle Testing Activity (AVTA) uses standard procedures and test specifications to test and collect data from vehicles on dynamometers, closed test tracks, and on-the-road. Data on the 2012 Honda Civic CNG is available in downloadable form.

  1. Advanced Manufacturing Office Update, January 2015 | Department of Energy

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

    Articles Expert Panel Releases Final Report on Strengthening Advanced Manufacturing in America 3D Printed Shelby Cobra Demonstrates Further Advances in Additive Manufacturing Partners in the Spotlight Legrand Energy Marathon Leads to Big Savings Better Plants Welcomes First Five Wastewater Treatment Partners Third Volvo Facility Certified to Superior Energy Performance Honda Recognizes Bridgestone Facility with Three Environmental Achievement Awards AMO and Industry News Save the Date for the

  2. Advanced Battery Manufacturing Facilities and Equipment Program |

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

    Department of Energy 2 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon arravt002_es_flicker_2012_p.pdf More Documents & Publications Advanced Battery Manufacturing Facilities and Equipment Program Advanced Battery Manufacturing Facilities and Equipment Program AVTA: 2010 Honda Civic HEV with Experimental Ultra Lead Acid Battery Testing Results

  3. Advanced Battery Manufacturing Facilities and Equipment Program |

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

    Department of Energy 0 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C. PDF icon esarravt002_flicker_2010_p.pdf More Documents & Publications Advanced Battery Manufacturing Facilities and Equipment Program Advanced Battery Manufacturing Facilities and Equipment Program AVTA: 2010 Honda Civic HEV with Experimental Ultra Lead Acid Battery Testing Results

  4. Moving toward a commercial market for hydrogen fuel cell vehicles

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

    MOVING toward a commercial market for hydrogen fuel cell vehicles CaFCP MEMBERS GOVERNMENT CA Energy Commission CA Air Resources Board National Automotive Center South Coast AQMD US EPA US DOE US DOT AUTOMOTIVE Chrysler Daimler General Motors Ford Honda Hyundai Nissan Toyota Volkswagen ENERGY Chevron Shell Hydrogen TECHNOLOGY UTC Power AFCC AC Transit Santa Clara VTA SunLine Transit Air Products Praxair Proton Energy Systems Powertech Ztek ISE Corporation ITS - UC Davis NFCRC - UC Irvine CA

  5. U.S. Department of Energy Fuel Cell Activities: Progress and Future Directions

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

    U.S. Department of Energy Fuel Cell Activities: Progress and Future Directions Total Energy USA Houston, Texas Dr. Sunita Satyapal 11/27/2012 Director, Office of Fuel Cell Technologies Energy Efficiency and Renewable Energy U.S. Department of Energy Overview Fuel Cells - An Emerging Global Industry United States 46% Germany 7% Korea 7% Canada 3% Taiwan 1% Great Britain 1% France 1% Other 3% Japan 31% Fuel Cell Patents Geographic Distribution 2002-2011 Top 10 companies: GM, Honda, Samsung,

  6. Advanced Manufacturing Office Update, January 2015 | Department of Energy

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

    January 2015 Advanced Manufacturing Office Update, January 2015 January 26, 2015 - 2:00pm Addthis In This Issue Featured Articles Expert Panel Releases Final Report on Strengthening Advanced Manufacturing in America 3D Printed Shelby Cobra Demonstrates Further Advances in Additive Manufacturing Partners in the Spotlight Legrand Energy Marathon Leads to Big Savings Better Plants Welcomes First Five Wastewater Treatment Partners Third Volvo Facility Certified to Superior Energy Performance Honda

  7. H2USA | Department of Energy

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

    USA H2USA In 2013 many auto manufacturers announced fuel cell electric vehicle (FCEV) commercialization plans; Toyota, Hyundai, General Motors, Honda, Mercedes/Daimler, and others have committed to putting FCEVs on the road, some as early as the 2015-2017 timeframe. While the cars are coming, hydrogen infrastructure remains the greatest challenge to commercialization of FCEVs. To address this challenge, in 2013 DOE, along with automakers and other key stakeholders, launched H2USA, a new

  8. Genome sequence analysis of the model grass Brachypodium distachyon: insights into grass genome evolution

    SciTech Connect (OSTI)

    Schulman, Al

    2009-08-09

    Three subfamilies of grasses, the Erhardtoideae (rice), the Panicoideae (maize, sorghum, sugar cane and millet), and the Pooideae (wheat, barley and cool season forage grasses) provide the basis of human nutrition and are poised to become major sources of renewable energy. Here we describe the complete genome sequence of the wild grass Brachypodium distachyon (Brachypodium), the first member of the Pooideae subfamily to be completely sequenced. Comparison of the Brachypodium, rice and sorghum genomes reveals a precise sequence- based history of genome evolution across a broad diversity of the grass family and identifies nested insertions of whole chromosomes into centromeric regions as a predominant mechanism driving chromosome evolution in the grasses. The relatively compact genome of Brachypodium is maintained by a balance of retroelement replication and loss. The complete genome sequence of Brachypodium, coupled to its exceptional promise as a model system for grass research, will support the development of new energy and food crops

  9. New insights into the decay of ion waves to turbulence, ion heating, and soliton generation

    SciTech Connect (OSTI)

    Chapman, T. Banks, J. W.; Berger, R. L.; Cohen, B. I.; Williams, E. A.; Brunner, S.

    2014-04-15

    The decay of a single-frequency, propagating ion acoustic wave (IAW) via two-ion wave decay to a continuum of IAW modes is found to result in a highly turbulent plasma, ion soliton production, and rapid ion heating. Instability growth rates, thresholds, and sensitivities to plasma conditions are studied via fully kinetic Vlasov simulations. The decay rate of IAWs is found to scale linearly with the fundamental IAW potential amplitude ?{sub 1} for ZT{sub e}/T{sub i}?20, beyond which the instability is shown to scale with a higher power of ?{sub 1}, where Z is the ion charge number and T{sub e} (T{sub i}) is the electron (ion) thermal temperature. The threshold for instability is found to be smaller by an order of magnitude than linear theory estimates. Achieving a better understanding of the saturation of stimulated Brillouin scatter levels observed in laser-plasma interaction experiments is part of the motivation for this study.

  10. Porosity of coal and shale: Insights from gas adsorption and SANS/USANS techniques

    SciTech Connect (OSTI)

    Mastalerz, Maria; He, Lilin; Melnichenko, Yuri B; Rupp, John A

    2012-01-01

    Two Pennsylvanian coal samples (Spr326 and Spr879-IN1) and two Upper Devonian-Mississippian shale samples (MM1 and MM3) from the Illinois Basin were studied with regard to their porosity and pore accessibility. Shale samples are early mature stage as indicated by vitrinite reflectance (R{sub o}) values of 0.55% for MM1 and 0.62% for MM3. The coal samples studied are of comparable maturity to the shale samples, having vitrinite reflectance of 0.52% (Spr326) and 0.62% (Spr879-IN1). Gas (N{sub 2} and CO{sub 2}) adsorption and small-angle and ultrasmall-angle neutron scattering techniques (SANS/USANS) were used to understand differences in the porosity characteristics of the samples. The results demonstrate that there is a major difference in mesopore (2-50 nm) size distribution between the coal and shale samples, while there was a close similarity in micropore (<2 nm) size distribution. Micropore and mesopore volumes correlate with organic matter content in the samples. Accessibility of pores in coal is pore-size specific and can vary significantly between coal samples; also, higher accessibility corresponds to higher adsorption capacity. Accessibility of pores in shale samples is low.

  11. Hydroxylation of p-substituted phenols by tyrosinase: Further insight into the mechanism of tyrosinase activity

    SciTech Connect (OSTI)

    Munoz-Munoz, Jose Luis; Berna, Jose; Garcia-Molina, Maria del Mar; Garcia-Molina, Francisco; Garcia-Ruiz, Pedro Antonio; Varon, Ramon [Departamento de Quimica-Fisica, Escuela de Ingenieros Industriales de Albacete, Universidad de Castilla la Mancha, Avda. Espana s and others

    2012-07-27

    Highlights: Black-Right-Pointing-Pointer The action the copper complexes and tyrosinase on phenols is equivalent. Black-Right-Pointing-Pointer Isotope effect showed that nucleophilic attack to copper atom may be the slower step. Black-Right-Pointing-Pointer The value of {rho} (Hammett constant) supports an electrophilic aromatic substitution. Black-Right-Pointing-Pointer Data obtained in steady state pH 7 conditions support the mechanism of Scheme 1SM. -- Abstract: A study of the monophenolase activity of tyrosinase by measuring the steady state rate with a group of p-substituted monophenols provides the following kinetic information: k{sub cat}{sup m} and the Michaelis constant, K{sub M}{sup m}. Analysis of these data taking into account chemical shifts of the carbon atom supporting the hydroxyl group ({delta}) and {sigma}{sub p}{sup +}, enables a mechanism to be proposed for the transformation of monophenols into o-diphenols, in which the first step is a nucleophilic attack on the copper atom on the form E{sub ox} (attack of the oxygen of the hydroxyl group of C-1 on the copper atom) followed by an electrophilic attack (attack of the hydroperoxide group on the ortho position with respect to the hydroxyl group of the benzene ring, electrophilic aromatic substitution with a reaction constant {rho} of -1.75). These steps show the same dependency on the electronic effect of the substituent groups in C-4. Furthermore, a study of a solvent deuterium isotope effect on the oxidation of monophenols by tyrosinase points to an appreciable isotopic effect. In a proton inventory study with a series of p-substituted phenols, the representation of k{sub cat}{sup f{sub n}}/k{sub cat}{sup f{sub 0}} against n (atom fractions of deuterium), where k{sub cat}{sup f{sub n}} is the catalytic constant for a molar fraction of deuterium (n) and k{sub cat}{sup f{sub 0}} is the corresponding kinetic parameter in a water solution, was linear for all substrates. These results indicate that only one of the proton transfer processes from the hydroxyl groups involved the catalytic cycle is responsible for the isotope effects. We suggest that this step is the proton transfer from the hydroxyl group of C-1 to the peroxide of the oxytyrosinase form (E{sub ox}). After the nucleophilic attack, the incorporation of the oxygen in the benzene ring occurs by means of an electrophilic aromatic substitution mechanism in which there is no isotopic effect.

  12. New insights from in-situ electron microscopy into capacity loss...

    Office of Scientific and Technical Information (OSTI)

    DOE Contract Number: DE-AC04-94AL85000 Resource Type: Journal Article Resource Relation: Journal Name: Advanced Energy Materials; Related Information: Proposed for publication in ...

  13. Insights into dynamic processes of cations in pyrochlores and other complex oxides

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

    Uberuaga, Blas Pedro; Perriot, Romain

    2015-08-26

    Complex oxides are critical components of many key technologies, from solid oxide fuel cells and superionics to inert matrix fuels and nuclear waste forms. In many cases, understanding mass transport is important for predicting performance and, thus, extensive effort has been devoted to understanding mass transport in these materials. However, most work has focused on the behavior of oxygen while cation transport has received relatively little attention, even though cation diffusion is responsible for many phenomena, including sintering, radiation damage evolution, and deformation processes. Here, we use accelerated molecular dynamics simulations to examine the kinetics of cation defects in onemore » class of complex oxides, A₂B₂O₇ pyrochlore. In some pyrochlore chemistries, B cation defects are kinetically unstable, transforming to A cation defects and antisites at rates faster than they can diffuse. When this occurs, transport of B cations occurs through defect processes on the A sublattice. Further, these A cation defects, either interstitials or vacancies, can interact with antisite disorder, reordering the material locally, though this process is much more efficient for interstitials than vacancies. Whether this behavior occurs in a given pyrochlore depends on the A and B chemistry. Pyrochlores with a smaller ratio of cation radii exhibit this complex behavior, while those with larger ratios exhibit direct migration of B interstitials. Similar behavior has been reported in other complex oxides such as spinels and perovskites, suggesting that this coupling of transport between the A and B cation sublattices, while not universal, occurs in many complex oxide.« less

  14. New insights into the enigma of boron carbide inverse molecular behavior

    SciTech Connect (OSTI)

    Dera, Przemyslaw; Manghnani, Murli H.; Hushur, Anwar; Hu, Yi; Tkachev, Sergey

    2014-07-01

    Equation of state and compression mechanism of nearly stoichiometric boron carbide B{sub 4}C were investigated using diamond anvil cell single crystal synchrotron X-ray diffraction technique up to a maximum quasi-hydrostatic pressure of 74.0(1) GPa in neon pressure transmitting medium at ambient temperature. No signatures of structural phase transitions were observed on compression. Crystal structure refinements indicate that the icosahedral units are less compressible (13% volume reduction at 60 GPa) than the unit cell volume (18% volume reduction at 60 GPa), contrary to expectations based on the inverse molecular behavior hypothesis, but consistent with spectroscopic evidence and first principles calculations. The high-pressure crystallographic refinements reveal that the nature of the chemical bonds (two, versus three centered character) has marginal effect on the bond compressibility and the compression of the crystal is mainly governed by the force transfer between the rigid icosahedral structural units. - Graphical abstract: Single crystal measurements of equation of state and compression mechanism of B{sub 4}C show that the icosahedral units are less compressibe than the unit cell volume, despite the threei-ceneterd nature of some icosahedral bonds. - Highlights: Equation of state and compression mechanism of B{sub 4}C were measured to 75 GPa. No signatures of structural phase transitions were observed on compression. Icosahedral units are less compressibe than the unit cell volume. The nature of the chemical bonds has mariginal effect on the bond compressibility. The compression is governed by force transfer between the rigid icosahedra.

  15. New insights into microbial responses to oil spills from the Deepwater Horizon incident

    SciTech Connect (OSTI)

    Mason, O.U.; Hazen, T.C.

    2011-06-15

    On April 20, 2010, a catastrophic eruption of methane caused the Deepwater Horizon exploratory drill rig drilling the Macondo Well in Mississippi Canyon Block 252 (MC252) to explode. The Deepwater Horizon oil spill was unprecendeted for several reasons: the volume of oil released; the spill duration; the well depth; the distance from the shore-line (77 km or about 50 miles); the type of oil (light crude); and the injection of dispersant directly at the wellhead. This study clearly demonstrated that there was a profound and significant response by certain members of the in situ microbial community in the deep-sea in the Gulf of Mexico. In particular putative hydrocarbon degrading Bacteria appeared to bloom in response to the Deepwater Horizon oil spill, even though the temperature at these depths is never >5 C. As the plume aged the shifts in the microbial community on a temporal scale suggested that different, yet metabolically important members of the community were able to respond to a myriad of plume constituents, e.g. shifting from propane/ethane to alkanes and finally to methane. Thus, the biodegradation of hydrocarbons in the plume by Bacteria was a highly significant process in the natural attenuation of many compounds released during the Deepwater Horizon oil spill.

  16. Insights on postinjection-associated soot emissions in direct injection diesel engines

    SciTech Connect (OSTI)

    Arregle, Jean; Pastor, Jose V.; Lopez, J. Javier; Garcia, Antonio

    2008-08-15

    A comprehensive study was carried out in order to better understand combustion behavior in a direct injection diesel engine when using postinjections. More specifically, the aim of the study is twofold: (1) to better understand the mechanism of a postinjection to reduce soot and (2) to improve the understanding of the contribution of the postinjection combustion on the total soot emissions by looking at the effect of the postinjection timing variation and the postinjection mass variation on the soot emissions associated with the postinjection. The study is focused only on far postinjections, and the explored operating conditions include the use of EGR. The first objective was fulfilled analyzing some results from a previous work adding only a few complementary results. Concerning the second objective, the basic idea behind the analysis performed is the search of appropriate parameters physically linked to the processes under analysis. These parameters are found based on the state-of-the-art of diesel combustion. For the effect of the postinjection timing, the physical parameter found was the temperature of the unburned gases at the end of injection, T{sub ug{sub E}}{sub oI}. It was checked that a threshold level of T{sub ug{sub E}}{sub oI} ({proportional_to}700 K for the cases explored here) exists below which soot is unable to be formed, independently of the postinjection size, and the amount of soot increases as the temperature increases beyond this threshold. For the effect of the postinjection size, the physical parameter that was found was DoI/ACT (the ratio between the actual duration of injection and the time necessary for mixing - the apparent combustion time). This parameter can quantify when the postinjection is able to produce soot (the threshold value is {proportional_to}0.37 for the cases explored here), and the amount of soot produced increases as this parameter increases beyond this threshold value. A function containing these two parameters has been fitted to the experimental soot emissions associated with the postinjection obtained in many engine operating conditions, and the appropriate quality of the fit demonstrates that these two parameters explain the main behaviors of the soot emissions associated with a postinjection. (author)

  17. The Genome of Syntrophomonas Wolfei: New Insights into Syntrophic Metabolism and Biohydrogen Production

    SciTech Connect (OSTI)

    Sieber, Jessica R.; Sims, David R.; Han, Cliff F.; Kim, E.; Lykidis, Athanasios; Lapidus, Alla; McDonald, Erin; Rohlin, Lars; Culley, David E.; Gunsalus, Robert; McInerney, Michael J.

    2010-08-01

    Syntrophomonas wolfei is a specialist, evolutionarily adapted for syntrophic growth with methanogens and other hydrogen- and/or formate-using microorganisms. This slow growing anaerobe has three putative ribosome RNA operons, each of which has 16S rRNA and 23S rRNA genes of different length and multiple 5S rRNA genes. The genome also contains ten RNA-directed, DNA polymerase genes. Genomic analysis shows that S. wolfei relies solely on the reduction of protons, bicarbonate, or unsaturated fatty acids to re-oxidize reduced cofactors. S. wolfei lacks the genes needed for aerobic or anaerobic respiration and has an exceptionally limited ability to create ion gradients. An ATP synthase and a pyrophosphatase were the only systems detected capable of creating an ion gradient. Multiple homologs for ?-oxidation genes were present even though S. wolfei uses a limited range of fatty acids from 4 to 8 carbons in length. S. wolfei, other syntrophic metabolizers with completed genomic sequences, and thermophilic anaerobes known to produce high molar ratios of hydrogen from glucose have genes to produce H2 from NADH by an electron bifurcation mechanism. Comparative genomic analysis also suggests that formate production from NADH may involve electron bifurcation. A membrane-bound, iron-sulfur oxidoreductase found in S. wolfei and Syntrophus aciditrophicus may be uniquely involved in reverse electron transport during syntrophic fatty acid metabolism. The genome sequence of S. wolfei reveals several core reactions that may be characteristic of syntrophic fatty acid metabolism and illustrates how biological systems produce hydrogen from thermodynamically difficult reactions.

  18. New insights into designing metallacarborane based room temperature hydrogen storage media

    SciTech Connect (OSTI)

    Bora, Pankaj Lochan; Singh, Abhishek K.

    2013-10-28

    Metallacarboranes are promising towards realizing room temperature hydrogen storage media because of the presence of both transition metal and carbon atoms. In metallacarborane clusters, the transition metal adsorbs hydrogen molecules and carbon can link these clusters to form metal organic framework, which can serve as a complete storage medium. Using first principles density functional calculations, we chalk out the underlying principles of designing an efficient metallacarborane based hydrogen storage media. The storage capacity of hydrogen depends upon the number of available transition metal d-orbitals, number of carbons, and dopant atoms in the cluster. These factors control the amount of charge transfer from metal to the cluster, thereby affecting the number of adsorbed hydrogen molecules. This correlation between the charge transfer and storage capacity is general in nature, and can be applied to designing efficient hydrogen storage systems. Following this strategy, a search for the best metallacarborane was carried out in which Sc based monocarborane was found to be the most promising H{sub 2} sorbent material with a 9 wt.% of reversible storage at ambient pressure and temperature.

  19. Metagenomic insights into evolution of heavy metal-contaminated groundwater microbial community

    SciTech Connect (OSTI)

    Hemme, C.L.; Deng, Y.; Gentry, T.J.; Fields, M.W.; Wu, L.; Barua, S.; Barry, K.; Green-Tringe, S.; Watson, D.B.; He, Z.; Hazen, T.C.; Tiedje, J.M.; Rubin, E.M.; Zhou, J.

    2010-07-01

    Understanding adaptation of biological communities to environmental change is a central issue in ecology and evolution. Metagenomic analysis of a stressed groundwater microbial community reveals that prolonged exposure to high concentrations of heavy metals, nitric acid and organic solvents ({approx}50 years) has resulted in a massive decrease in species and allelic diversity as well as a significant loss of metabolic diversity. Although the surviving microbial community possesses all metabolic pathways necessary for survival and growth in such an extreme environment, its structure is very simple, primarily composed of clonal denitrifying {gamma}- and {beta}-proteobacterial populations. The resulting community is overabundant in key genes conferring resistance to specific stresses including nitrate, heavy metals and acetone. Evolutionary analysis indicates that lateral gene transfer could have a key function in rapid response and adaptation to environmental contamination. The results presented in this study have important implications in understanding, assessing and predicting the impacts of human-induced activities on microbial communities ranging from human health to agriculture to environmental management, and their responses to environmental changes.

  20. Vertically aligned crystalline silicon nanowires with controlled diameters for energy conversion applications: Experimental and theoretical insights

    SciTech Connect (OSTI)

    Razek, Sara Abdel; Swillam, Mohamed A.; Allam, Nageh K.

    2014-05-21

    Vertically orientated single crystalline silicon nanowire (SiNW) arrays with controlled diameters are fabricated via a metal-assisted chemical etching method. The diameter of the fabricated nanowires is controlled by simply varying the etching time in HF/H{sub 2}O{sub 2} electrolytes. The fabricated SiNWs have diameters ranging from 117 to 650?nm and lengths from 8 to 18??m. The optical measurements showed a significant difference in the reflectance/absorption of the SiNWs with different diameters, where the reflectance increases with increasing the diameter of the SiNWs. The SiNWs showed significant photoluminescence (PL) emission spectra with peaks lying between 380 and 670?nm. The PL intensity increases as the diameter increases and shows red shift for peaks at ?670?nm. The increase or decrease of reflectivity is coincident with PL intensity at wavelength ?660?nm. The x-ray diffraction patterns confirm the high crystallinity of the fabricated SiNWs. In addition, the Raman spectra showed a shift in the first order transverse band toward lower frequencies compared to that usually seen for c-Si. Finite difference time domain simulations have been performed to confirm the effect of change of diameter on the optical properties of the nanowires. The simulation results showed good agreement with the experimental results for the SiNWs of different diameters.

  1. Insights antifibrotic mechanism of methyl palmitate: Impact on nuclear factor kappa B and proinflammatory cytokines

    SciTech Connect (OSTI)

    Mantawy, Eman M.; Tadros, Mariane G.; Awad, Azza S.; Hassan, Dina A.A.; El-Demerdash, Ebtehal

    2012-01-01

    Fibrosis accompanies most chronic liver disorders and is a major factor contributing to hepatic failure. Therefore, the need for an effective treatment is evident. The present study was designed to assess the potential antifibrotic effect of MP and whether MP can attenuate the severity of oxidative stress and inflammatory response in chronic liver injury. Male albino rats were treated with either CCl{sub 4} (1 ml/kg, twice a week) and/or MP (300 mg/kg, three times a week) for six weeks. CCl{sub 4}-intoxication significantly increased liver weight, serum aminotransferases, total cholesterol and triglycerides while decreased albumin level and these effects were prevented by co-treatment with MP. As indicators of oxidative stress, CCl{sub 4}-intoxication caused significant glutathione depletion and lipid peroxidation while MP co-treatment preserved them within normal values. As markers of fibrosis, hydroxyproline content and ?-SMA expression increased markedly in the CCl{sub 4} group and MP prevented these alterations. Histopathological examination by both light and electron microscope further confirmed the protective efficacy of MP. To elucidate the antifibrotic mechanisms of MP, the expression of NF-?B, iNOS and COX-2 and the tissue levels of TNF-? and nitric oxide were assessed; CCl{sub 4} increased the expression of NF-?B and all downstream inflammatory cascade while MP co-treatment inhibited them. Collectively these findings indicate that MP possesses a potent antifibrotic effect which may be partly a consequence of its antioxidant and anti-inflammatory properties. -- Highlights: ? Methyl palmitate is free fatty acid methyl ester. ? It possesses a strong antifibrotic effect. ? It inhibits NF-?B and the consequent proinflammatory and oxidative stress response.

  2. Personal Insights and Anecdotes about the Weatherization Assistance Program Process Field Study

    SciTech Connect (OSTI)

    Treitler, Inga

    2014-09-01

    The present report is based on the research conducted for the Process Field Study between March and September 2011. The Process Field Study documents how Weatherization Assistance Program (WAP) services were delivered to clients, and the quality with which those services were delivered. The assessments were conducted by visiting 19 agencies in 19 states around the country interviewing agency managers, staff, and contractors; observing program intake along, with 43 audits, 45 measure installation and 37 final inspections; and conducting debriefing interviews with clients and weatherization staff following the observation of service delivery. In this report, we turn to detailed observations of a few field interactions. The client stories from our observations illustrate some of the ways clients and crew interact to build the success of the program, but shows there will always be unanticipated obstacles to building trust and getting the program to the public. Stories of staff and crew career paths indicate that weatherization technology and techniques are being learned and used by technicians out of the new home construction industry and that their new knowledge provides them with technical tools and methods that many hope to take back into the construction industry if and when they return. This report is organized according to the four stages of weatherization: intake, audit, installation, and inspection. It contributes to our understanding of the area where policy, environment, culture, and individual decisions influence social innovation. The anecdotes reveal the realities of implementing programs for the benefit of the greater good at minimal cost and sacrifice in times of ever restricting budgets. As the authors revisited their field notes and compiled memorable narratives to communicate the essence of the weatherization experience, they identified three key takeaways that summarize the major issues. First, in WAP as in all services there will always be challenges to reaching the community needing to be served. Second, crew and staff learn new skills and gain experience that can be and are applied in jobs elsewhere. Finally, in the best cases, changes from the weatherization experience permeate communities in unanticipated ways.

  3. Structural Insights into the Cooperative Binding of SeqA to a Tandem GATC Repeat

    SciTech Connect (OSTI)

    Chung, Y.; Brendler, T; Austin, S; Guarne, A

    2009-01-01

    SeqA is a negative regulator of DNA replication in Escherichia coli and related bacteria that functions by sequestering the origin of replication and facilitating its resetting after every initiation event. Inactivation of the seqA gene leads to unsynchronized rounds of replication, abnormal localization of nucleoids and increased negative superhelicity. Excess SeqA also disrupts replication synchrony and affects cell division. SeqA exerts its functions by binding clusters of transiently hemimethylated GATC sequences generated during replication. However, the molecular mechanisms that trigger formation and disassembly of such complex are unclear. We present here the crystal structure of a dimeric mutant of SeqA [SeqA{Delta}(41-59)-A25R] bound to tandem hemimethylated GATC sites. The structure delineates how SeqA forms a high-affinity complex with DNA and it suggests why SeqA only recognizes GATC sites at certain spacings. The SeqA-DNA complex also unveils additional protein-protein interaction surfaces that mediate the formation of higher ordered complexes upon binding to newly replicated DNA. Based on this data, we propose a model describing how SeqA interacts with newly replicated DNA within the origin of replication and at the replication forks.

  4. First-principles insights into interaction of CO, NO, and HCN with Ag{sub 8}

    SciTech Connect (OSTI)

    Torbatian, Zahra; Hashemifar, S. Javad, E-mail: hashemifar@cc.iut.ac.ir; Akbarzadeh, Hadi [Department of Physics, Isfahan University of Technology, 84156-83111 Isfahan (Iran, Islamic Republic of)] [Department of Physics, Isfahan University of Technology, 84156-83111 Isfahan (Iran, Islamic Republic of)

    2014-02-28

    We use static as well as time-dependent first-principles computations to study interaction of the CO, NO, and HCN molecules with the Ag{sub 8} nanocluster. The many-body based GW correction is applied for accurate description of the highest occupied (HOMO) and the lowest unoccupied (LUMO) molecular orbital levels. It is argued that the adsorption of these molecules changes the stable structure of Ag{sub 8} from Td to the more chemically active D{sub 2d} symmetry. We discuss that the CO, NO, and HCN molecules prefer to adsorb on the atom of the cluster with significant contribution to both HOMO and LUMO, for the accomplishment of the required charge transfers in the systems. The charge back donation is found to leave an excess energy of about 110 meV on the NO molecular bond, evidencing potential application of silver clusters for NO reduction. It is argued that CO and specially NO exhibit strong physical interaction with the silver cluster and hence significantly modify the electronic and optical properties of the system, while HCN makes very week physical bonds with the cluster. The optical absorption spectra of the Ag{sub 8} cluster before and after molecule adsorption are computed and a nontrivial red shift is observed in the NO and HCN adsorbed clusters.

  5. Insights into Cold Water Injection Stimulation Effects through Analytical Solutions to Flow and Heat Transport

    SciTech Connect (OSTI)

    M.A. Plummer

    2013-09-01

    Wells in traditional hydrothermal reservoirs are used to extract heat and to dispose of cooled water. In the first case, high productivity (the ratio of production flow rate to the pressure differential required to produce that rate) to is preferred in order to maximize power generation, while minimizing the parasitic energy loss of pumping. In the second case, high injectivity (the ratio of injection flow rate to the pressure differential required to produce that rate) is preferred, in order to reduce pumping costs. In order to improve productivity or injectivity, cold water is sometimes injected into the reservoir in an attempt to cool and contract the surrounding rock matrix and thereby induce dilation and/or extension of existing fractures or to generate new fractures. Though the increases in permeability associated with these changes are likely localized, by improving connectivity to more extensive high-permeability fractures they can at least temporarily provide substantially improved productivity or injectivity.

  6. New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2

    SciTech Connect (OSTI)

    Sun, Junming; Karim, Ayman M.; Mei, Donghai; Engelhard, Mark H.; Bao, Xinhe; Wang, Yong

    2015-01-01

    The reaction pathway of ethanol steam reforming on Co-ZrO2 has been identified and the active sites associated with each step are proposed. Ethanol is converted to acetaldehyde and then to acetone, followed by acetone steam reforming. More than 90% carbon was found to follow this reaction pathway. N2-Sorption, X-ray Diffraction (XRD), Temperature Programmed Reduction (TPR), in situ X-ray Photoelectron Spectroscopy (XPS), Transmission Electron Microscopy, as well as theoretical Density Functional Theory (DFT) calculations have been employed to identify the structure and functionality of the catalysts, which was further used to correlate their performance in ESR. It was found that metallic cobalt is mainly responsible for the acetone steam reforming reactions; while, CoO and basic sites on the support play a key role in converting ethanol to acetone via dehydrogenation and condensation/ketonization reaction pathways. The current work provides fundamental understanding of the ethanol steam reforming reaction mechanisms on Co-ZrO2 catalysts and sheds light on the rational design of selective and durable ethanol steam reforming catalysts.

  7. New insights from in-situ electron microscopy into capacity loss...

    Office of Scientific and Technical Information (OSTI)

    Abstract not provided. Authors: Talin, Albert Alec ; Leite, Marina ; Ruzmetov, Dmitry ; Li, Zhipeng ; Bendersky, Leonid ; Kolmakov, Andrei ; Bartelt, Norman Charles. Publication ...

  8. Structure of rigid polymers confined to nanoparticles: Molecular dynamics simulations insight

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

    Maskey, Sabina; Lane, J. Matthew D.; Perahia, Dvora; Grest, Gary S.

    2016-02-04

    Nanoparticles (NPs) grafted with organic layers form hybrids able to retain their unique properties through integration into the mesoscopic scale. The organic layer structure and response often determine the functionality of the hybrids on the mesoscopic length scale. Using molecular dynamics (MD) simulations, we probe the conformation of luminescent rigid polymers, dialkyl poly(p-phenylene ethynylene)s (PPE), end-grafted onto a silica nanoparticle in different solvents as the molecular weights and polymer coverages are varied. We find that, in contrast to NP-grafted flexible polymers, the chains are fully extended independent of the solvent. In toluene and decane, which are good solvents, the graftedmore » PPEs chains assume a similar conformation to that observed in dilute solutions. In water, which is a poor solvent for the PPEs, the polymer chains form one large cluster but remain extended. The radial distribution of the chains around the core of the nanoparticle is homogeneous in good solvents, whereas in poor solvents clusters are formed independent of molecular weights and coverages. As a result, the clustering is distinctively different from the response of grafted flexible and semiflexible polymers.« less

  9. Conduction of molecular electronic devices: Qualitative insights through atom-atom polarizabilities

    SciTech Connect (OSTI)

    Stuyver, T.; Fias, S. De Proft, F.; Geerlings, P.; Fowler, P. W.

    2015-03-07

    The atom-atom polarizability and the transmission probability at the Fermi level, as obtained through the source-and-sink-potential method for every possible configuration of contacts simultaneously, are compared for polycyclic aromatic compounds. This comparison leads to the conjecture that a positive atom-atom polarizability is a necessary condition for transmission to take place in alternant hydrocarbons without non-bonding orbitals and that the relative transmission probability for different configurations of the contacts can be predicted by analyzing the corresponding atom-atom polarizability. A theoretical link between the two considered properties is derived, leading to a mathematical explanation for the observed trends for transmission based on the atom-atom polarizability.

  10. Three-dimensional simulations of National Ignition Facility implosions: Insight into experimental observables

    SciTech Connect (OSTI)

    Spears, Brian K. Munro, David H.; Sepke, Scott; Caggiano, Joseph; Clark, Daniel; Hatarik, Robert; Kritcher, Andrea; Sayre, Daniel; Yeamans, Charles; Knauer, James; Hilsabeck, Terry; Kilkenny, Joe

    2015-05-15

    We simulate in 3D both the hydrodynamics and, simultaneously, the X-ray and neutron diagnostic signatures of National Ignition Facility (NIF) implosions. We apply asymmetric radiation drive to study the impact of low mode asymmetry on diagnostic observables. We examine X-ray and neutron images as well as neutron spectra for these perturbed implosions. The X-ray images show hot spot evolution on small length scales and short time scales, reflecting the incomplete stagnation seen in the simulation. The neutron images show surprising differences from the X-ray images. The neutron spectra provide additional measures of implosion asymmetry. Flow in the hot spot alters the neutron spectral peak, namely, the peak location and width. The changes in the width lead to a variation in the apparent temperature with viewing angle that signals underlying hot spot asymmetry. We compare our new expectations based on the simulated data with NIF data. We find that some recent cryogenic layered experiments show appreciable temperature anisotropy indicating residual flow in the hot spot. We also find some trends in the data that do not reflect our simulation and theoretical understanding.

  11. Insights Gained for Updating an Analog I&C System to a Digital System

    SciTech Connect (OSTI)

    Adams, A.; Carte, N.; Hardesty, Duane; Hardin, LeRoy A; Wilson, Thomas L

    2012-01-01

    Licensees at both Nuclear Power Plants (NPPs) and Non-Power Reactors (NPRs) are increasing their use of state-of-the-art digital technology in instrumentation and control (I&C) systems because digital systems offer improved reactor control, information processing, and information storage over analog. Digital I&C systems can range from experimental systems for reactor control research (at NPRs), to measurement and display systems, to complete reactor console replacements. Because of the increasing difficulty in finding spare parts for their original analog I&C systems, many licensees have begun or have plans to upgrade, refurbish, or replace their old analog I&C systems with digital systems. The perception is that upgrading to a digital I&C system will solve all of a facility s obsolescence problems. However, licensees need to be aware of several issues associated with upgrading to a digital system including obsolescence of the digital system (hardware and software) because of the short product life cycle and the associated cost to acquire, store, and maintain a long-term supply of spare parts. Configuration management and cyber security are also vitally important for any upgrade. Further, it must be recognized that the introduction of software and microprocessors could create new failure mechanisms, such as software errors and increased susceptibility to electromagnetic interference. In fact, experience has shown that these failure mechanisms may cause the reactor to malfunction in a way not previously considered. Thus, a conversion from analog to digital I&C systems solves some problems while potentially introducing others. Recognition of the additional risks coupled with good design, engineering, review, and testing can identify and minimize these risks.

  12. Insights into photodissociation dynamics of acetaldehyde from ab initio calculations and molecular dynamics simulations

    SciTech Connect (OSTI)

    Chen Shilu; Fang Weihai

    2009-08-07

    In the present paper we report a theoretical study on mechanistic photodissociation of acetaldehyde (CH{sub 3}CHO). Stationary structures for H{sub 2} and CO eliminations in the ground state (S{sub 0}) have been optimized with density functional theory method, which is followed by the intrinsic reaction coordinate and ab initio molecular dynamics calculations to confirm the elimination mechanism. Equilibrium geometries, transition states, and intersection structures for the C-C and C-H dissociations in excited states were determined by the complete-active-space self-consistent field (CASSCF) method. Based on the CASSCF optimized structures, the potential energy profiles for the dissociations were refined by performing the single-point calculations using the multireference configuration interaction method. Upon the low-energy irradiation of CH{sub 3}CHO (265 nm<{lambda}<318 nm), the T{sub 1} C-C bond fission following intersystem crossing from the S{sub 1} state is the predominant channel and the minor channel, the ground-state elimination to CH{sub 4}+CO after internal conversion (IC) from S{sub 1} to S{sub 0}, could not be excluded. With the photon energy increasing, another pathway of IC, achieved via an S{sub 1}/S{sub 0} intersection point resulting from the S{sub 1} C-C bond fission, becomes accessible and increases the yield of CH{sub 4}+CO.

  13. 1603 Treasury Grant Expiration. Industry Insight on Financing and Market Implications

    SciTech Connect (OSTI)

    Mendelsohn, Michael; Harper, John

    2012-06-01

    This study explores the likely project financing and market impacts from the expiration of the 1603 Program.

  14. Structure of an aprataxin?DNA complex with insights into AOA1 neurodegenerative disease

    SciTech Connect (OSTI)

    Tumbale, Percy; Appel, C. Denise; Kraehenbuehl, Rolf; Robertson, Patrick D.; Williams, Jessica S.; Krahn, Joe; Ahel, Ivan; Williams, R. Scott (NIEHS); (Manchester)

    2012-09-17

    DNA ligases finalize DNA replication and repair through DNA nick-sealing reactions that can abort to generate cytotoxic 5'-adenylation DNA damage. Aprataxin (Aptx) catalyzes direct reversal of 5'-adenylate adducts to protect genome integrity. Here the structure of a Schizosaccharomyces pombe Aptx-DNA-AMP-Zn{sup 2+} complex reveals active site and DNA interaction clefts formed by fusing a histidine triad (HIT) nucleotide hydrolase with a DNA minor groove-binding C{sub 2}HE zinc finger (Znf). An Aptx helical 'wedge' interrogates the base stack for sensing DNA ends or DNA nicks. The HIT-Znf, the wedge and an '[F/Y]PK' pivot motif cooperate to distort terminal DNA base-pairing and direct 5'-adenylate into the active site pocket. Structural and mutational data support a wedge-pivot-cut HIT-Znf catalytic mechanism for 5'-adenylate adduct recognition and removal and suggest that mutations affecting protein folding, the active site pocket and the pivot motif underlie Aptx dysfunction in the neurodegenerative disorder ataxia with oculomotor apraxia 1 (AOA1).

  15. Russias R&D for Low Energy Buildings: Insights for Cooperation with Russia

    SciTech Connect (OSTI)

    Schaaf, Rebecca E.; Evans, Meredydd

    2010-05-01

    Russian buildings, Russian buildings sector energy consumption. Russian government has made R&D investment a priority again. The government and private sector both invest in a range of building energy technologies. In particular, heating, ventilation and air conditioning, district heating, building envelope, and lighting have active technology research projects and programs in Russia.

  16. Novel Insights into the Diversity of Catabolic Metabolism from Ten Haloarchaeal Genomes

    SciTech Connect (OSTI)

    Anderson, Iain; Scheuner, Carmen; Goker, Markus; Mavromatis, Kostas; Hooper, Sean D.; Porat, Iris; Klenk, Hans-Peter; Ivanova, Natalia; Kyrpides, Nikos

    2011-05-03

    The extremely halophilic archaea are present worldwide in saline environments and have important biotechnological applications. Ten complete genomes of haloarchaea are now available, providing an opportunity for comparative analysis. We report here the comparative analysis of five newly sequenced haloarchaeal genomes with five previously published ones. Whole genome trees based on protein sequences provide strong support for deep relationships between the ten organisms. Using a soft clustering approach, we identified 887 protein clusters present in all halophiles. Of these core clusters, 112 are not found in any other archaea and therefore constitute the haloarchaeal signature. Four of the halophiles were isolated from water, and four were isolated from soil or sediment. Although there are few habitat-specific clusters, the soil/sediment halophiles tend to have greater capacity for polysaccharide degradation, siderophore synthesis, and cell wall modification. Halorhabdus utahensis and Haloterrigena turkmenica encode over forty glycosyl hydrolases each, and may be capable of breaking down naturally occurring complex carbohydrates. H. utahensis is specialized for growth on carbohydrates and has few amino acid degradation pathways. It uses the non-oxidative pentose phosphate pathway instead of the oxidative pathway, giving it more flexibility in the metabolism of pentoses. These new genomes expand our understanding of haloarchaeal catabolic pathways, providing a basis for further experimental analysis, especially with regard to carbohydrate metabolism. Halophilic glycosyl hydrolases for use in biofuel production are more likely to be found in halophiles isolated from soil or sediment.

  17. Structural and mechanistic insights into Mcm2-7 double-hexamer...

    Office of Scientific and Technical Information (OSTI)

    of origin licensing and helicase activation are poorly understood. The helicase loaders ORC-Cdc6 function to recruit a single Cdt1-Mcm2-7 heptamer to replication origins prior to...

  18. Mechanistic Insights into the Structure-Dependent Selectivity of Catalytic Furfural Conversion on Platinum Catalysts

    SciTech Connect (OSTI)

    Cai, Qiuxia; Wang, Jianguo; Wang, Yang-Gang; Mei, Donghai

    2015-11-01

    The effects of structure and size on the selectivity of catalytic furfural conversion over supported Pt catalysts in the presence of hydrogen have been studied using first principles density functional theory (DFT) calculations and microkinetic modeling. Four Pt model systems, i.e., periodic Pt(111), Pt(211) surfaces, as well as small nanoclusters (Pt13 and Pt55) are chosen to represent the terrace, step, and corner sites of Pt nanoparticles. Our DFT results show that the reaction routes for furfural hydrogenation and decarbonylation are strongly dependent on the type of reactive sites, which lead to the different selectivity. On the basis of the size-dependent site distribution rule, we correlate the site distributions as a function of the Pt particle size. Our microkinetic results indicate the critical particle size that controls the furfural selectivity is about 1.0 nm, which is in good agreement with the reported experimental value under reaction conditions. This work was supported by National Basic Research Program of China (973 Program) (2013CB733501) and the National Natural Science Foundation of China (NSFC-21306169, 21176221, 21136001, 21101137 and 91334103). This work was also partially supported by the US Department of Energy (DOE), the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. Computing time was granted by the grand challenge of computational catalysis of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). EMSL is a national scientific user facility located at Pacific Northwest National Laboratory (PNNL) and sponsored by DOEs Office of Biological and Environmental Research.

  19. New insights of asteroid 4179 Toutatis using China Chang'e-2 close flyby optical measurements

    SciTech Connect (OSTI)

    Bu, Yanlong; Tang, Geshi; Cao, Jianfeng; Hu, Songjie; Yang, Cheng; Liu, Chuankai; Di, KaiChang; Xu, Bin; Liu, Bin; Fa, Wenzhe; Hu, Tianjiang; Ding, Chibiao E-mail: tanggeshi@bacc.org.cn

    2015-01-01

    The mysteries of near-Earth asteroid 4179 Toutatis have been more comprehensively unveiled by analyzing the optical images taken during the Chang'e-2 flyby in 2012. Compared with previous works, this paper concentrates on the photogrammetric relation between the Chang'e-2 spacecraft and Toutatis and the imaging shadow effect during the flyby. Accurate models of imaging and optical measurements are developed to study Toutatis's dimensions and rotational state at the time of imaging. As the illumination study shows, the shadowed region perpendicular to the long axis accounts for 27.78% of the Toutatis images, while the long axis of the body is fully captured. With a compensation on the shadow effect, the optical measurements reveal that Toutatis's long axis is 4354 56 m, the maximum length is 4391 56 m, and the spatial orientation described with the angles of direction cosine during the flyby is (126.13 0.29, 122.98 0.21, 126.63 0.46). Furthermore, a new triaxial ellipsoid of 4354 1835 2216 m and a volume of 7.5158 km{sup 3} are proposed based on the previous Toutatis shape model. The effectiveness of the proposed method is validated, since typical features such as the neck and endpoints agree well with the results simultaneously observed by the ground radar. Moreover, it also potentially provides a feasible approach to precisely calculate the spin period of Toutatis.

  20. Insight into the molecular switch mechanism of human Rab5a from molecular dynamics simulations

    SciTech Connect (OSTI)

    Wang, Jing-Fang; Shanghai Center for Bioinformation Technology, 100 Qinzhou Road, Shanghai 200235; Gordon Life Science Institute, 13784 Torrey Del Mar Drive, San Diego, CA 92130 ; Chou, Kuo-Chen

    2009-12-18

    Rab5a is currently a most interesting target because it is responsible for regulating the early endosome fusion in endocytosis and possibly the budding process. We utilized longtime-scale molecular dynamics simulations to investigate the internal motion of the wild-type Rab5a and its A30P mutant. It was observed that, after binding with GTP, the global flexibility of the two proteins is increasing, while the local flexibility in their sensitive sites (P-loop, switch I and II regions) is decreasing. Also, the mutation of Ala30 to Pro30 can cause notable flexibility variations in the sensitive sites. However, this kind of variations is dramatically reduced after binding with GTP. Such a remarkable feature is mainly caused by the water network rearrangements in the sensitive sites. These findings might be of use for revealing the profound mechanism of the displacements of Rab5a switch regions, as well as the mechanism of the GDP dissociation and GTP association.

  1. Analysis Insights, August 2015: Sustainable Transportation (Brochure), NREL (National Renewable Energy Laboratory)

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

    046 A U G U S T 2 0 1 5 A N A LY S I S I N S I G H T S SUSTAINABLE TRANSPORTATION Moving People and Goods in Ways that are Cleaner, Greener, Smarter 2 SUSTAINABLE TRANSPORTATION Moving people and goods from point A to B has never been easier, but our current transportation systems also take a toll on our environment. Transportation currently accounts for 71% of total U.S. petroleum use and 33% of the nation's total carbon emissions. With new technology, can we make our transportation system

  2. Closer Look Reveals New Insights on Enzymatic Catalysts for H2 Production (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2014-01-01

    Researchers use spectroscopic tools to analyze H2 activation by [FeFe]-Hydrogenase HydA1 from Chlamydomonas reinhardtii.

  3. Insights into the respiratory tract microbiota of patients with cystic fibrosis during early Pseudomonas aeruginosa colonization

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

    Keravec, Marlène; Mounier, Jérôme; Prestat, Emmanuel; Vallet, Sophie; Jansson, Janet K.; Burgaud, Gaëtan; Rosec, Sylvain; Gouriou, Stéphanie; Rault, Gilles; Coton, Emmanuel; et al

    2015-08-09

    Pseudomonas aeruginosa plays a major role in cystic fibrosis (CF) progression. Therefore, it is important to understand the initial steps of P. aeruginosa infection. The structure and dynamics of CF respiratory tract microbial communities during the early stages of P. aeruginosa colonization were characterized by pyrosequencing and cloning-sequencing. The respiratory microbiota showed high diversity, related to the young age of the CF cohort (mean age 10 years). Wide inter- and intra-individual variations were revealed. A common core microbiota of 5 phyla and 13 predominant genera was found, the majority of which were obligate anaerobes. A few genera were significantly moremore » prevalent in patients never infected by P. aeruginosa. Persistence of an anaerobic core microbiota regardless of P. aeruginosa status suggests a major role of certain anaerobes in the pathophysiology of lung infections in CF. Some genera may be potential biomarkers of pulmonary infection state.« less

  4. On the reversal of star formation rate-density relation at z = 1: Insights from simulations

    SciTech Connect (OSTI)

    Tonnesen, Stephanie; Cen, Renyue E-mail: cen@astro.princeton.edu

    2014-06-20

    Recent surveys have found a reversal of the star formation rate (SFR)-density relation at z = 1 from that at z = 0, while the sign of the slope of the color-density relation remains unchanged. We use adaptive mesh refinement cosmological hydrodynamic simulations of a 21 24 20 h {sup 3} Mpc{sup 3} region to examine the SFR-density and color-density relations of galaxies at z = 0 and z = 1. The local environmental density is defined by the dark matter mass in spheres of radius 1 h {sup 1} Mpc, and we probe two decades of environmental densities. Our simulations produce a large increase of SFR with density at z = 1, as in the Elbaz et al. observations. We also find a significant evolution to z = 0, where the SFR-density relation is much flatter. The simulated color-density relation is consistent from z = 1 to z = 0, in agreement with observations. We find that the increase in SFR with local density at z = 1 is due to a growing population of star-forming galaxies in higher-density environments. At z = 0 and z = 1 both the SFR and cold gas mass are correlated with the galaxy halo mass, and therefore the correlation between median halo mass and local density is an important cause of the SFR-density relation at both redshifts. However, at z = 0 the local density on 1 h {sup 1} Mpc scales affects galaxy SFRs as much as halo mass. Finally, we find indications that while at z = 0 high-density environments depress galaxy SFRs, at z = 1 high-density environments tend to increase SFRs.

  5. Metagenomic and metaproteomic insights into bacterial communities in leaf-cutter ant fungus gardens

    SciTech Connect (OSTI)

    Aylward, Frank O.; Burnum, Kristin E.; Scott, Jarrod J.; Suen, Garret; Tringe, Susannah G.; Adams, Sandra M.; Barry, Kerrie W.; Nicora, Carrie D.; Piehowski, Paul D.; Purvine, Samuel O.; Starrett, Gabriel J.; Goodwin, Lynne A.; Smith, Richard D.; Lipton, Mary S.; Currie, Cameron R.

    2012-09-01

    Herbivores gain access to nutrients stored in plant biomass largely by harnessing the metabolic activities of microbes. Leaf-cutter ants of the genus Atta are a hallmark example; these dominant Neotropical herbivores cultivate symbiotic fungus gardens on massive quantities of fresh plant forage. As the external digestive system of the ants, fungus gardens facilitate the production and sustenance of millions of workers in mature Atta colonies. Here we use metagenomic, and metaproteomic techniques to characterize the bacterial diversity and overall physiological potential of fungus gardens from two species of Atta. Our analysis of over 1.2 Gbp of community metagenomic sequence and three 16S pyrotag libraries reveals that, in addition to harboring the dominant fungal crop, these ecosystems contain abundant populations of Enterobacteriaceae, including the genera Enterobacter, Pantoea, Klebsiella, Citrobacter, and Escherichia. We show that these bacterial communities possess genes commonly associated with lignocellulose degradation, and likely participate in the processing of plant biomass. Additionally, we demonstrate that bacteria in these environments encode a diverse suite of biosynthetic pathways, and that they may enrich the nitrogen-poor forage of the ants with B-vitamins, amino acids, and proteins. These results are consistent with the hypothesis that fungus gardens are highly-specialized fungus-bacteria communities that efficiently convert plant material into usable energy for their ant hosts. Together with recent investigations into the microbial symbionts of vertebrates, our work underscores the importance of microbial communities to the ecology and evolution of herbivorous metazoans.

  6. Closer Look Reveals New Insights on Enzymatic Catalysts for H2...

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

    access to catalytically relevant intermedi- ates that were not detected in previous studies focused on more complex enzymes isolated from bacteria. Uncovering the mechanistic...

  7. Archaeofaunal insights on pinniped-human interactions in the northeastern Pacific

    SciTech Connect (OSTI)

    Gifford-Gonzales, D; Newsome, S; Koch, P; Guilderson, T; Snodgrass, J; Burton, R

    2004-02-07

    Human exploitation of pinnipeds has considerable antiquity but shows increasing impacts on population numbers in the Holocene. Pinnipeds are a rich source of fat as well as protein. A few well-documented cases of regional extirpation of seals and sea lions by non-industrial peoples exist. The northeastern Pacific region, from southern California to Alaska, has yielded archaeological evidence for distributions and abundances of eared seals that differs markedly from historically documented biogeography. This is especially true of the northern fur seal (Callorhinus ursinus), among the most common pinnipeds in many archaeological sites from the Santa Barbara Channel area through to Kodiak Islands. This chapter reviews contemporary eared seal biogeography, evidence for the earlier timing and extent, of occurrence of northern fur seals along the northeastern Pacific coast, zooarchaeological and isotopic evidence for their foraging and probable maintenance of rookeries in lower latitudes, and for their disappearance from the southernmost part of their ancient distribution well before European contact. It also reviews ongoing debates over the behavioral ecology of ancient fur seals and over humans role in contributing to their disappearance.

  8. Molecular Chemistry to the Fore: New Insights into the Fascinating World of Photoactive Colloidal Semiconductor Nanocrystals

    SciTech Connect (OSTI)

    Vela-Becerra, Javier

    2013-02-01

    Colloidal semiconductor nanocrystals possess unique properties that are unmatched by other chromophores such as organic dyes or transition-metal complexes. These versatile building blocks have generated much scientific interest and found applications in bioimaging, tracking, lighting, lasing, photovoltaics, photocatalysis, thermoelectrics, and spintronics. Despite these advances, important challenges remain, notably how to produce semiconductor nanostructures with predetermined architecture, how to produce metastable semiconductor nanostructures that are hard to isolate by conventional syntheses, and how to control the degree of surface loading or valence per nanocrystal. Molecular chemists are very familiar with these issues and can use their expertise to help solve these challenges. In this Perspective, we present our group’s recent work on bottom-up molecular control of nanoscale composition and morphology, low-temperature photochemical routes to semiconductor heterostructures and metastable phases, solar-to-chemical energy conversion with semiconductor-based photocatalysts, and controlled surface modification of colloidal semiconductors that bypasses ligand exchange.

  9. INSIGHTS FROM LABORATORY AND AIRBORNE BRDF MEASUREMENTS FOR SATELLITE REMOTE SENSING

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

    Aerosols and Surface Optical Properties from Airborne Spectral Measurements of Directional Reflectance C.K.Gatebe 1,2 & M.D. King, 2,3 Collaborators: O. Dubovik, 4 A.Sinyuk, 2,5 P. Russell, 6 J. Redemann 6 Acknowledgements: G.T. Arnold (SSAI & GSFC) Gala Wind (SSAI & GSFC) Rajesh Poudyal (SSAI & GSFC) Hal Maring & Andy Roberts (NASA HQ) 1 University of Maryland, Baltimore County 2 NASA Goddard Space Flight Center 3 University of Colorado 4 Laboratoire d'Optique Atmosphérique

  10. Comparative genomics of Ceriporiopsis subvermispora and Phanerochaete chrysosporium provide insight into selective ligninolysis

    SciTech Connect (OSTI)

    Fernandez-Fueyo, Elena; Ruiz-Duenas, Francisco J.; Ferreira, Patrica; Floudas, Dimitrios; HIbbett, David S.; Canessa, Paulo; Larrondo, Luis F.; James, Tim Y.; Seelenfreund, Daniela; Lobos, Sergio; Polanco, Ruben; Tello, Mario; Honda, Yoichi; Watanabe, Takahito; Watanabe, Takashi; Ryu, Jae San; Kubicek, Christian P.; Schmoll, Monika; Gaskell, Jill; Hammel, Kenneth E.; St. John, Franz J.; Vanden Wymelenberg, Amber; Sabat, Grzegorz; Splinter BonDurant, Sandra; Syed, Khajamohiddin; Yadav, Jagjit S.; Doddapaneni, Harshavardhan; Subramanian, Venkataramanan; Lavin, Jose L.; Oguiza, Jose A.; Perez, Gumer; Pisabarro, Antonio G.; Ramirez, Lucia; Santoyo, Francisco; Master, Emma; Coutinho, Pedro M.; Henrissat, Bernard; Lombard, Vincent; Magnuson, Jon Karl; Kues, Ursula; Hori, Chiaki; Igarashi, Kiyohiko; Samejima, Masahiro; Held, Benjamin W.; Barry, Kerrie W.; LaButti, Kurt M.; Lapidus, Alla; Lindquist, Erika A.; Lucas, Susan M.; Riley, Robert; Salamov, Asaf A.; Hoffmeister, Dirk; Schwenk, Daniel; Hadar, Yitzhak; Yarden, Oded; de Vries, Ronald P.; Wiebenga, Ad; Stenlid, Jan; Eastwood, Daniel; Grigoriev, Igor V.; Berka, Randy M.; Blanchette, Robert A.; Kersten, Phil; Martinez, Angel T.; Vicuna, Rafael; Cullen, Dan

    2011-12-06

    Efficient lignin depolymerization is unique to the wood decay basidiomycetes, collectively referred to as white rot fungi. Phanerochaete chrysosporium simultaneously degrades lignin and cellulose, whereas the closely related species, Ceriporiopsis subvermispora, also depolymerizes lignin but may do so with relatively little cellulose degradation. To investigate the basis for selective ligninolysis, we conducted comparative genome analysis of C. subvermispora and P. chrysosporium. Genes encoding manganese peroxidase numbered 13 and five in C. subvermispora and P. chrysosporium, respectively. In addition, the C. subvermispora genome contains at least seven genes predicted to encode laccases, whereas the P. chrysosporium genome contains none. We also observed expansion of the number of C. subvermispora desaturase-encoding genes putatively involved in lipid metabolism. Microarray-based transcriptome analysis showed substantial up-regulation of several desaturase and MnP genes in wood-containing medium. MS identified MnP proteins in C. subvermispora culture filtrates, but none in P. chrysosporium cultures. These results support the importance of MnP and a lignin degradation mechanism whereby cleavage of the dominant nonphenolic structures is mediated by lipid peroxidation products. Two C. subvermispora genes were predicted to encode peroxidases structurally similar to P. chrysosporium lignin peroxidase and, following heterologous expression in Escherichia coli, the enzymes were shown to oxidize high redox potential substrates, but not Mn2. Apart from oxidative lignin degradation, we also examined cellulolytic and hemicellulolytic systems in both fungi. In summary, the C. subvermispora genetic inventory and expression patterns exhibit increased oxidoreductase potential and diminished cellulolytic capability relative to P. chrysosporium.

  11. Phase Stability of t;#8242;-Zirconia-Based Thermal Barrier Coatings: Mechanistic Insights

    SciTech Connect (OSTI)

    Krogstad, Jessica A.; Krmer, Stephan; Lipkin, Don M.; Johnson, Curtis A.; Mitchell, David R.G.; Cairney, Julie M.; Levi, Carlos G.

    2011-11-07

    The temperature capability of yttria-stabilized zirconia thermal barrier coatings (TBCs) is ultimately tied to the rate of evolution of the 'nontransformable' t' phase into a depleted tetragonal form predisposed to the monoclinic transformation on cooling. The t' phase, however, has been shown to decompose in a small fraction of the time necessary to form the monoclinic phase. Instead, a modulated microstructure consisting of a coherent array of Y-rich and Y-lean lamellar phases develops early in the process, with mechanistic features suggestive of spinodal decomposition. Coarsening of this microstructure leads to loss of coherency and ultimately transformation into the monoclinic form, making the kinetics of this process, and not the initial decomposition, the critical factor in determining the phase stability of TBCs. Transmission electron microscopy is shown to be essential not only for characterizing the microstructure but also for proper interpretation of X-ray diffraction analysis.

  12. Comparative genomic insights into ecophysiology of neutrophilic, microaerophilic iron oxidizing bacteria

    SciTech Connect (OSTI)

    Kato, Shingo; Ohkuma, Moriya; Powell, Deborah H.; Krepski, Sean T.; Oshima, Kenshiro; Hattori, Masahira; Shapiro, Nicole; Woyke, Tanja; Chan, Clara S.

    2015-11-13

    Neutrophilic microaerophilic iron-oxidizing bacteria (FeOB) are thought to play a significant role in cycling of carbon, iron and associated elements in both freshwater and marine iron-rich environments. However, the roles of the neutrophilic microaerophilic FeOB are still poorly understood due largely to the difficulty of cultivation and lack of functional gene markers. Here, we analyze the genomes of two freshwater neutrophilic microaerophilic stalk-forming FeOB, Ferriphaselus amnicola OYT1 and Ferriphaselus strain R-1. Phylogenetic analyses confirm that these are distinct species within Betaproteobacteria; we describe strain R-1 and propose the name F. globulitus. We compare the genomes to those of two freshwater Betaproteobacterial and three marine Zetaproteobacterial FeOB isolates in order to look for mechanisms common to all FeOB, or just stalk-forming FeOB. The OYT1 and R-1 genomes both contain homologs to cyc2, which encodes a protein that has been shown to oxidize Fe in the acidophilic FeOB, Acidithiobacillus ferrooxidans. This c-type cytochrome common to all seven microaerophilic FeOB isolates, strengthening the case for its common utility in the Fe oxidation pathway. In contrast, the OYT1 and R-1 genomes lack mto genes found in other freshwater FeOB. OYT1 and R-1 both have genes that suggest they can oxidize sulfur species. Both have the genes necessary to fix carbon by the Calvin–Benson– Basshom pathway, while only OYT1 has the genes necessary to fix nitrogen. The stalk-forming FeOB share xag genes that may help form the polysaccharide structure of stalks. Both OYT1 and R-1 make a novel biomineralization structure, short rod-shaped Fe oxyhydroxides much smaller than their stalks; these oxides are constantly shed, and may be a vector for C, P, and metal transport to downstream environments. Lastly, our results show that while different FeOB are adapted to particular niches, freshwater and marine FeOB likely share common mechanisms for Fe oxidation electron transport and biomineralization pathways.

  13. Insights into Acetate Toxicity in Zymomonas mobilis 8b using Different Substrates

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

    Yang, Shihui; Franden, M. A.; Brown, S. D.; Chou, Y. C.; Pienkos, P. T.; Zhang, Min

    2014-09-30

    The lignocellulosic biomass is a promising renewable feedstock for biofuel production. Acetate is one of the major inhibitors liberated from hemicelluloses during hydrolysis. Likewise, an understanding of the toxic effects of acetate on the fermentation microorganism and the efficient utilization of mixed sugars of glucose and xylose in the presence of hydrolysate inhibitors is crucial for economic biofuel production.

  14. Comparative genomic analysis of nine Sphingobium strains: Insights into their evolution and hexachlorocyclohexane (HCH) degradation pathways

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

    Verma, Helianthous; Kumar, Roshan; Oldach, Phoebe; Sangwan, Naseer; Khurana, Jitendra P.; Gilbert, Jack A.; Lal, Rup

    2014-11-23

    Background: Sphingobium spp. are efficient degraders of a wide range of chlorinated and aromatic hydrocarbons. In particular, strains which harbour the lin pathway genes mediating the degradation of hexachlorocyclohexane (HCH) isomers are of interest due to the widespread persistence of this contaminant. Here, we examined the evolution and diversification of the lin pathway under the selective pressure of HCH, by comparing the draft genomes of six newly-sequenced Sphingobium spp. (strains LL03, DS20, IP26, HDIPO4, P25 and RL3) isolated from HCH dumpsites, with three existing genomes (S. indicum B90A, S. japonicum UT26S and Sphingobium sp. SYK6). Results: Efficient HCH degraders phylogeneticallymore » clustered in a closely related group comprising of UT26S, B90A, HDIPO4 and IP26, where HDIPO4 and IP26 were classified as subspecies with ANI value >98%. Less than 10% of the total gene content was shared among all nine strains, but among the eight HCH-associated strains, that is all except SYK6, the shared gene content jumped to nearly 25%. Genes associated with nitrogen stress response and two-component systems were found to be enriched. The strains also housed many xenobiotic degradation pathways other than HCH, despite the absence of these xenobiotics from isolation sources. In addition, these strains, although non-motile, but posses flagellar assembly genes. While strains HDIPO4 and IP26 contained the complete set of lin genes, DS20 was entirely devoid of lin genes (except linKLMN) whereas, LL03, P25 and RL3 were identified as lin deficient strains, as they housed incomplete lin pathways. Further, in HDIPO4, linA was found as a hybrid of two natural variants i.e., linA1 and linA2 known for their different enantioselectivity. In conclusion, the bacteria isolated from HCH dumpsites provide a natural testing ground to study variations in the lin system and their effects on degradation efficacy. Further, the diversity in the lin gene sequences and copy number, their arrangement with respect to IS6100 and evidence for potential plasmid content elucidate possible evolutionary acquisition mechanisms for this pathway. This study further opens the horizon for selection of bacterial strains for inclusion in an HCH bioremediation consortium and suggests that HDIPO4, IP26 and B90A would be appropriate candidates for inclusion.« less

  15. CO oxidation on gold-supported iron oxides: New insights into strong oxide–metal interactions

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

    Yu, Liang; Liu, Yun; Yang, Fan; Evans, Jaime; Rodriguez, José A.; Liu, Ping

    2015-07-14

    Very active FeOx–Au catalysts for CO oxidation are obtained after depositing nanoparticles of FeO, Fe3O4, and Fe2O3 on a Au(111) substrate. Neither FeO nor Fe2O3 is stable under the reaction conditions. Under an environment of CO/O2, they undergo oxidation (FeO) or reduction (Fe2O3) to yield nanoparticles of Fe3O4 that are not formed in a bulk phase. Using a combined experimental and theoretical approach, we show a strong oxide–metal interaction (SOMI) between Fe3O4 nanostructures and Au(111), which gives the oxide special properties, allows the formation of an active phase, and provides a unique interface to facilitate a catalytic reaction. This workmore » highlights the important role that the SOMI can play in enhancing the catalytic performance of the oxide component in metal–oxide catalysts.« less

  16. CO oxidation on gold-supported iron oxides: New insights into strong oxidemetal interactions

    SciTech Connect (OSTI)

    Yu, Liang; Liu, Yun; Yang, Fan; Evans, Jaime; Rodriguez, Jos A.; Liu, Ping

    2015-07-14

    Very active FeOxAu catalysts for CO oxidation are obtained after depositing nanoparticles of FeO, Fe3O4, and Fe2O3 on a Au(111) substrate. Neither FeO nor Fe2O3 is stable under the reaction conditions. Under an environment of CO/O2, they undergo oxidation (FeO) or reduction (Fe2O3) to yield nanoparticles of Fe3O4 that are not formed in a bulk phase. Using a combined experimental and theoretical approach, we show a strong oxidemetal interaction (SOMI) between Fe3O4 nanostructures and Au(111), which gives the oxide special properties, allows the formation of an active phase, and provides a unique interface to facilitate a catalytic reaction. This work highlights the important role that the SOMI can play in enhancing the catalytic performance of the oxide component in metaloxide catalysts.

  17. Human Factors Engineering (HFE) insights for advanced reactors based upon operating experience

    SciTech Connect (OSTI)

    Higgins, J.; Nasta, K.

    1997-01-01

    The NRC Human Factors Engineering Program Review Model (HFE PRM, NUREG-0711) was developed to support a design process review for advanced reactor design certification under 10CFR52. The HFE PRM defines ten fundamental elements of a human factors engineering program. An Operating Experience Review (OER) is one of these elements. The main purpose of an OER is to identify potential safety issues from operating plant experience and ensure that they are addressed in a new design. Broad-based experience reviews have typically been performed in the past by reactor designers. For the HFE PRM the intent is to have a more focussed OER that concentrates on HFE issues or experience that would be relevant to the human-system interface (HSI) design process for new advanced reactors. This document provides a detailed list of HFE-relevant operating experience pertinent to the HSI design process for advanced nuclear power plants. This document is intended to be used by NRC reviewers as part of the HFE PRM review process in determining the completeness of an OER performed by an applicant for advanced reactor design certification. 49 refs.

  18. Structural insight into mechanism and diverse substrate selection strategy of L-ribulokinase

    SciTech Connect (OSTI)

    Agarwal R.; Swaminathan S.; Burley, S. K.

    2012-01-01

    The araBAD operon encodes three different enzymes required for catabolism of L-arabinose, which is one of the most abundant monosaccharides in nature. L-ribulokinase, encoded by the araB gene, catalyzes conversion of L-ribulose to L-ribulose-5-phosphate, the second step in the catabolic pathway. Unlike other kinases, ribulokinase exhibits diversity in substrate selectivity and catalyzes phosphorylation of all four 2-ketopentose sugars with comparable k{sub cat} values. To understand ribulokinase recognition and phosphorylation of a diverse set of substrates, we have determined the X-ray structure of ribulokinase from Bacillus halodurans bound to L-ribulose and investigated its substrate and ATP co-factor binding properties. The polypeptide chain is folded into two domains, one small and the other large, with a deep cleft in between. By analogy with related sugar kinases, we identified {sup 447}{und GG}LPQ{und K}{sup 452} as the ATP-binding motif within the smaller domain. L-ribulose binds in the cleft between the two domains via hydrogen bonds with the side chains of highly conserved Trp126, Lys208, Asp274, and Glu329 and the main chain nitrogen of Ala96. The interaction of L-ribulokinase with L-ribulose reveals versatile structural features that help explain recognition of various 2-ketopentose substrates and competitive inhibition by L-erythrulose. Comparison of our structure to that of the structures of other sugar kinases revealed conformational variations that suggest domain-domain closure movements are responsible for establishing the observed active site environment.

  19. Novel insight into the hydrogen absorption mechanism at the Pd(110) surface

    SciTech Connect (OSTI)

    Ohno, Satoshi E-mail: wilde@iis.u-tokyo.ac.jp; Wilde, Markus E-mail: wilde@iis.u-tokyo.ac.jp; Fukutani, Katsuyuki

    2014-04-07

    The microscopic mechanism of low-temperature (80 K < T < 160 K) hydrogen (H) ingress into the H{sub 2} (<2.66 10{sup ?3} Pa) exposed Pd(110) surface is explored by H depth profiling with {sup 15}N nuclear reaction analysis (NRA) and thermal desorption spectroscopy (TDS) with isotope (H, D) labeled surface hydrogen. NRA and TDS reveal two types of absorbed hydrogen states of distinctly different depth distributions. Between 80 K and ?145 K a near-surface hydride phase evolving as the TDS ?{sub 1} feature at 160 K forms, which initially extends only several nanometers into depth. On the other hand, a bulk-absorbed hydrogen state develops between 80 K and ?160 K which gives rise to a characteristic ?{sub 3} TDS feature above 190 K. These two absorbed states are populated at spatially separated surface entrance channels. The near-surface hydride is populated through rapid penetration at minority sites (presumably defects) while the bulk-absorbed state forms at regular terraces with much lower probability per site. In both cases, absorption of gas phase hydrogen transfers pre-adsorbed hydrogen atoms below the surface and replaces them at the chemisorption sites by post-dosed hydrogen in a process that requires much less activation energy (<100 meV) than monatomic diffusion of chemisorbed H atoms into subsurface sites. This small energy barrier suggests that the rate-determining step of the absorption process is either H{sub 2} dissociation on the H-saturated Pd surface or a concerted penetration mechanism, where excess H atoms weakly bound to energetically less favorable adsorption sites stabilize themselves in the chemisorption wells while pre-chemisorbed H atoms simultaneously transit into the subsurface. The peculiarity of absorption at regular Pd(110) terraces in comparison to Pd(111) and Pd(100) is discussed.

  20. Comparative genomic insights into ecophysiology of neutrophilic, microaerophilic iron oxidizing bacteria

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

    Kato, Shingo; Ohkuma, Moriya; Powell, Deborah H.; Krepski, Sean T.; Oshima, Kenshiro; Hattori, Masahira; Shapiro, Nicole; Woyke, Tanja; Chan, Clara S.

    2015-11-13

    Neutrophilic microaerophilic iron-oxidizing bacteria (FeOB) are thought to play a significant role in cycling of carbon, iron and associated elements in both freshwater and marine iron-rich environments. However, the roles of the neutrophilic microaerophilic FeOB are still poorly understood due largely to the difficulty of cultivation and lack of functional gene markers. Here, we analyze the genomes of two freshwater neutrophilic microaerophilic stalk-forming FeOB, Ferriphaselus amnicola OYT1 and Ferriphaselus strain R-1. Phylogenetic analyses confirm that these are distinct species within Betaproteobacteria; we describe strain R-1 and propose the name F. globulitus. We compare the genomes to those of two freshwatermore » Betaproteobacterial and three marine Zetaproteobacterial FeOB isolates in order to look for mechanisms common to all FeOB, or just stalk-forming FeOB. The OYT1 and R-1 genomes both contain homologs to cyc2, which encodes a protein that has been shown to oxidize Fe in the acidophilic FeOB, Acidithiobacillus ferrooxidans. This c-type cytochrome common to all seven microaerophilic FeOB isolates, strengthening the case for its common utility in the Fe oxidation pathway. In contrast, the OYT1 and R-1 genomes lack mto genes found in other freshwater FeOB. OYT1 and R-1 both have genes that suggest they can oxidize sulfur species. Both have the genes necessary to fix carbon by the Calvin–Benson– Basshom pathway, while only OYT1 has the genes necessary to fix nitrogen. The stalk-forming FeOB share xag genes that may help form the polysaccharide structure of stalks. Both OYT1 and R-1 make a novel biomineralization structure, short rod-shaped Fe oxyhydroxides much smaller than their stalks; these oxides are constantly shed, and may be a vector for C, P, and metal transport to downstream environments. Lastly, our results show that while different FeOB are adapted to particular niches, freshwater and marine FeOB likely share common mechanisms for Fe oxidation electron transport and biomineralization pathways.« less

  1. Spin pumping and inverse spin Hall effects-Insights for future...

    Office of Scientific and Technical Information (OSTI)

    in Ir and W using the conventional bilayer structures and discuss the self-induced voltage in a single layer of ferromagnetic permalloy. Finally, we extend our discussions to...

  2. Atomistic Insight on the Charging Energetics in Sub-nanometer Pore Supercacitors

    SciTech Connect (OSTI)

    Qiao, Rui; Huang, Jingsong; Sumpter, Bobby G; Meunier, Vincent; Feng, Guang

    2010-01-01

    Electrodes featuring sub-nanometer pores can significantly enhance the capacitance and energy density of supercapacitors. However, ions must pay an energy penalty to enter sub-nanometer pores as they have to shed part of their solvation shell. The magnitude of such energy penalty plays a key role in determining the accessibility and charging/discharging of these sub-nanometer pores. Here we report on the atomistic simulation of Na+ and Cl ions entering a polarizable slit pore with a width of 0.82 nm. We show that the free energy penalty for these ions to enter the pore is less than 14 kJ/mol for both Na+ and Cl ions. The surprisingly small energy penalty is caused by the van der Waals attractions between ion and pore walls, the image charge effects, the moderate (19-26%) de-hydration of the ions inside the pore, and the strengthened interactions between ions and their hydration water molecules in the sub-nanometer pore. The results provide strong impetus for further developing nanoporous electrodes featuring sub- nanometer pores.

  3. Microscopic Insights into the Electrochemical Behavior of Non-aqueous Electrolytes in Supercapacitors

    SciTech Connect (OSTI)

    Jiang, Deen; Wu, Jianzhong

    2013-01-01

    Electric double-layer capacitors (EDLC) are electrical devices that store energy by adsorption of ionic species at the inner surface of porous electrodes. Compared with aqueous electrolytes, ionic liquid and organic electrolytes have the advantage of larger potential windows, making them attractive for the next generation of EDLC with superior energy and power densities. The performance of both ionic liquid and organic electrolyte EDLC hinges on the judicious selection of the electrode pore size and the electrolyte composition that requires a comprehension of the charging behavior from a microscopic view. In this perspective, we discuss predictions from the classical density functional theory (CDFT) on the dependence of the capacitance on the pore size for ionic-liquid and organic-electrolyte EDLC. CDFT is applicable to electrodes with the pore size ranging from that below the ionic dimensionality to mesoscopic scales, thus unique for investigating the electrochemical behavior of the confined electrolytes for EDLC applications.

  4. NREL Simulations Provide New Insight on Polymer-Based Energy Storage Materials (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2014-08-01

    Atomistic simulations correlate molecular packing and electron transport in polymer-based energy storage materials.

  5. Structural and mechanistic insights into Mcm2-7 double-hexamer...

    Office of Scientific and Technical Information (OSTI)

    Laboratory (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States) Imperial College Faculty of Medicine, London (United Kingdom). DNA ...

  6. Swelling in light water reactor internal components: Insights from computational modeling

    SciTech Connect (OSTI)

    Stoller, Roger E.; Barashev, Alexander V.; Golubov, Stanislav I.

    2015-08-01

    A modern cluster dynamics model has been used to investigate the materials and irradiation parameters that control microstructural evolution under the relatively low-temperature exposure conditions that are representative of the operating environment for in-core light water reactor components. The focus is on components fabricated from austenitic stainless steel. The model accounts for the synergistic interaction between radiation-produced vacancies and the helium that is produced by nuclear transmutation reactions. Cavity nucleation rates are shown to be relatively high in this temperature regime (275 to 325C), but are sensitive to assumptions about the fine scale microstructure produced under low-temperature irradiation. The cavity nucleation rates observed run counter to the expectation that void swelling would not occur under these conditions. This expectation was based on previous research on void swelling in austenitic steels in fast reactors. This misleading impression arose primarily from an absence of relevant data. The results of the computational modeling are generally consistent with recent data obtained by examining ex-service components. However, it has been shown that the sensitivity of the model s predictions of low-temperature swelling behavior to assumptions about the primary damage source term and specification of the mean-field sink strengths is somewhat greater that that observed at higher temperatures. Further assessment of the mathematical model is underway to meet the long-term objective of this research, which is to provide a predictive model of void swelling at relevant lifetime exposures to support extended reactor operations.

  7. Insights and Opportunities: Technologies, Policies, and Markets for Clean Energy Solutions (Presentation)

    SciTech Connect (OSTI)

    Arent, D.

    2009-11-01

    A presentation highlighting how strategic energy analysis can affect technologies, policies, and markets for clean energy solutions. This includes an overview of some of NREL's models and tools as well as results from laboratory analysis.

  8. Clean, Efficient, and Reliable Power for the 21st Century: Fact Sheet |

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

    Department of Energy Clean, Efficient, and Reliable Power for the 21st Century: Fact Sheet Clean, Efficient, and Reliable Power for the 21st Century: Fact Sheet This fact sheet provides an overview of the U.S. Department of Energy's Fuel Cell Technologies Office. PDF icon Clean, Efficient, and Reliable Power for the 21st Century More Documents & Publications QER - Comment of Honda Motor Co., Inc. State of the States: Fuel Cells in America 2012 2010 Hydrogen and Fuel Cell Global

  9. Molecular Foundry

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

    Agenda March 24, 2016 Lawrence Berkeley National Laboratory Building 50 Auditorium Registration: Free Registration 8:30 am - 9:00 am The Molecular Foundry's History and Impact 9:00 am - 10:30 am Jeff Neaton, Molecular Foundry Paul Alivisatos, Berkeley Lab/UC Berkeley Michael Witherell, Berkeley Lab Brian Schowengerdt, Magic Leap Pat Dehmer, DOE Office of Science Representative Mike Honda (D-CA) Break 10:30 am - 11:00 am Session 1 11:00 am - 12:00 pm Moderated by David Prendergast, Andy Minor Jim

  10. Hydrogen Storage System Challenges

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

    System Challenges Advanced Composite Materials for Cold and Cryogenic Hydrogen Storage Applications in Fuel Cell Electric Vehicles October 29 th , 2015 Mike Veenstra Ford Research & Advanced Engineering Production fuel cell vehicles are being produced or planned by every major automotive OEM Toyota Honda Hyundai (credit: SA / ANL) Customer Expectations Driving Range Refueling Time Cargo Space Vehicle Weight Durability Cost Safety 0.0 2.0 4.0 6.0 8.0 10.0 Gasoline Hydrogen (700 bar) Natural

  11. Main Title 32pt

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

    * SSL: The III-V Epi Killer App * ICMOVPE 2010 May 24 * SAND2010-4049C * 1/7 Solid-State Lighting: The III-V Epi "Killer App" Jeff Tsao * Physical, Chemical and Nano Sciences Center * Sandia National Laboratories Earth at Night (courtesy of NASA) Center high-mount stop light (CHMSL). http://www.honda- tech.com/showthread.php?t=2413558 HP calculator. http://www.hpmu seum.org/32.jpg Traffic light. http://mksurf8.blogspot.co m/2009/11/relasyon.html Sharp QuadPixel RGBY LED-backlit LCD

  12. Fact #678: June 6, 2011 Manufacturer Market Share of Hybrid Vehicles, 2010

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

    | Department of Energy 8: June 6, 2011 Manufacturer Market Share of Hybrid Vehicles, 2010 Fact #678: June 6, 2011 Manufacturer Market Share of Hybrid Vehicles, 2010 From a total of 274,210 hybrid vehicle sales in 2010, over two thirds (69%) were manufactured by the Toyota Motor Company. Ford and Honda together accounted for about a quarter of hybrid vehicle sales while GM and Nissan together sold about 5%. Other manufacturers including Porsche, Mazda, Mercedes and BMW totaled less than 1% of

  13. Cutting Edge Vehicles Take Center Stage at Texas Green Racing Event |

    Office of Environmental Management (EM)

    Department of Energy Cutting Edge Vehicles Take Center Stage at Texas Green Racing Event Cutting Edge Vehicles Take Center Stage at Texas Green Racing Event September 27, 2013 - 4:00pm Addthis Team Muscle Milk won the American Le Mans Series race at the Circuit of the Americas in Austin, Texas last weekend. The Honda ARX-03c runs on E10 fuel. | Photo courtesy of Rizzo Motorsports Images Team Muscle Milk won the American Le Mans Series race at the Circuit of the Americas in Austin, Texas last

  14. Complete genome of the cellyloytic thermophile Acidothermus cellulolyticus 11B provides insights into its ecophysiological and evloutionary adaptations

    SciTech Connect (OSTI)

    Barabote, Ravi D.; Xie, Gary; Leu, David H.; Normand, Philippe; Necsulea, Anamaria; Daubin, Vincent; Medigue, Claudine; Adney, William S.; Xu,Xin Clare; Lapidus, Alla; Detter, Chris; Pujic, Petar; Bruce, David; Lavire, Celine; Challacombe, Jean F.; Brettin, Thomas S.; Berry, Alison M.

    2009-01-01

    We present here the complete 2.4 Mb genome of the cellulolytic actinobacterial thermophile, Acidothermus cellulolyticus 11B. New secreted glycoside hydrolases and carbohydrate esterases were identified in the genome, revealing a diverse biomass-degrading enzyme repertoire far greater than previously characterized, and significantly elevating the industrial value of this organism. A sizable fraction of these hydrolytic enzymes break down plant cell walls and the remaining either degrade components in fungal cell walls or metabolize storage carbohydrates such as glycogen and trehalose, implicating the relative importance of these different carbon sources. A novel feature of the A. cellulolyticus secreted cellulolytic and xylanolytic enzymes is that they are fused to multiple tandemly arranged carbohydrate binding modules (CBM), from families 2 and 3. Interestingly, CBM3 was found to be always N-terminal to CBM2, suggesting a functional constraint driving this organization. While the catalytic domains of these modular enzymes are either diverse or unrelated, the CBMs were found to be highly conserved in sequence and may suggest selective substrate-binding interactions. For the most part, thermophilic patterns in the genome and proteome of A. cellulolyticus were weak, which may be reflective of the recent evolutionary history of A. cellulolyticus since its divergence from its closest phylogenetic neighbor Frankia, a mesophilic plant endosymbiont and soil dweller. However, ribosomal proteins and non-coding RNAs (rRNA and tRNAs) in A. cellulolyticus showed thermophilic traits suggesting the importance of adaptation of cellular translational machinery to environmental temperature. Elevated occurrence of IVYWREL amino acids in A. cellulolyticus orthologs compared to mesophiles, and inverse preferences for G and A at the first and third codon positions also point to its ongoing thermoadaptation. Additional interesting features in the genome of this cellulolytic, hot-springs dwelling prokaryote include a low occurrence of pseudogenes or mobile genetic elements, an unexpected complement of flagellar genes, and presence of three laterally-acquired genomic islands of likely ecophysiological value.

  15. Insights from modeling and observational evaluation of a precipitating continental cumulus event observed during the MC3E field campaign

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

    Mechem, David B.; Giangrande, Scott E.; Wittman, Carly S.; Borque, Paloma; Toto, Tami; Kollias, Pavlos

    2015-03-13

    A case of shallow cumulus and precipitating cumulus congestus sampled at the Atmospheric Radiation Measurement (ARM) Program Southern Great Plains (SGP) supersite is analyzed using a multi-sensor observational approach and numerical simulation. Observations from a new radar suite surrounding the facility are used to characterize the evolving statistical behavior of the precipitating cloud system. This is accomplished using distributions of different measures of cloud geometry and precipitation properties. Large-eddy simulation (LES) with size-resolved (bin) microphysics is employed to determine the forcings most important in producing the salient aspects of the cloud system captured in the radar observations. Our emphasis ismore » on assessing the importance of time-varying vs. steady-state large-scale forcing on the model's ability to reproduce the evolutionary behavior of the cloud system. Additional consideration is given to how the characteristic spatial scale and homogeneity of the forcing imposed on the simulation influences the evolution of cloud system properties. Results indicate that several new scanning radar estimates such as distributions of cloud top are useful to differentiate the value of time-varying (or at least temporally well-matched) forcing on LES solution fidelity.« less

  16. Insights from Smart Meters: Ramp Up, Dependability, and Short-Term Persistence of Savings from Home Energy Reports

    Broader source: Energy.gov [DOE]

    In this report, we use smart meter data to analyze the ramp-up, dependability, and short-term persistence of savings in one type of BB program: Home Energy Reports (HERs). In these programs, reports are mailed to households on a monthly, bi-monthly, or even quarterly basis. The reports provide energy tips and information about how a household's energy use compares to its neighbors. HERs typically obtain 1% to 3% annual electricity savings; several studies report that savings from mature HERs persist over multiple years while the programs are running (and decay after the reports are discontinued).

  17. Comment on "New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation"

    SciTech Connect (OSTI)

    Dupuis, Michel; Chen, Shentan; Raugei, Simone; DuBois, Daniel L; Bullock, R. Morris

    2011-05-12

    In the title paper, Vetere et al. reported a computational investigation of the mechanism of H{sub 2} oxidation/proton reduction using a model of nickel-based electrocatalysts that incorporates pendant amines in cyclic phosphorus ligands. These catalysts are attracting considerable attention owing to their high turnover rates and relatively low overpotentials. These authors interpreted the results of their calculations as evidence for a symmetric bond cleavage of H{sub 2} leading directly to two protonated amines in concert with a two-electron reduction of the Ni(II) site to form a Ni(0) diproton state. Proton reduction would involve a reverse symmetric bond formation. We report here an analysis that refutes the interpretation by these authors. We give, for the same model system, the structure of a heterolytic cleavage transition state consistent with the presence of the Ni(II) center acting as a Lewis acid and the pendant amines acting as Lewis bases. We present the associated intrinsic reaction coordinate (IRC) pathway connecting the dihydrogen (?{sup 2}-H{sub 2}) adduct and a hydrideproton state. We report also the transition state and associated IRC for the proton rearrangement from a hydrideproton state to a diproton state. Finally, we complete the characterization of the transition state reported by Vetere et al. through a determination of the corresponding IRC. In summary, H{sub 2} oxidation/proton reduction with this class of catalysts involves a heterolytic bond breaking/formation.

  18. Comment on 'New Insights in the Electrocatalytic Proton Reduction and Hydrogen Oxidation by Bioinspired Catalysts: A DFT Investigation'

    SciTech Connect (OSTI)

    Dupuis, Michel; Chen, Shentan; Raugei, Simone; DuBois, Daniel L.; Bullock, R. Morris

    2011-05-12

    In the title paper, Vetere et al. reported a computational investigation of the mechanism of oxidation of H2 / proton reduction using a model nickel complex for nickel-based electrocatalysts with cyclic phosphorous ligands incorporating pendant amines. These catalysts are attracting considerable attention owing to their high turn-over rates and relatively low overpotentials. These authors interpreted the results of their calculations as evidence for a symmetric bond breaking (forming) of H2 directly to (from) two protonated amines in concert with a 2-electron reduction of the Ni(II) site to form a Ni(0) di-proton state. We show here that this interpretation is erroneous as we report the structure of an heterolytic cleavage transition state consistent with the presence of the Ni(II) center acting as a Lewis acid and of the pendant amines acting as Lewis bases. We determined the associated intrinsic reaction coordinate (IRC) pathway connecting the di-hydrogen (?2-H2) adduct and a hydride-proton state. We also characterize differently the nature of the transition state reported by these authors. H2 oxidation / proton reduction with this class of catalysts is a heterolytic process.

  19. Indias R&D for Energy Efficient Buildings: Insights for U.S. Cooperation with India

    SciTech Connect (OSTI)

    Yu, Sha; Evans, Meredydd

    2010-06-01

    This report outlines Indias current activities and future plans in building energy efficiency R&D and deployment, and maps them with R&D activities under the Department of Energys Building Technologies Program. The assessment, conducted by the Pacific Northwest National Laboratory in FY10, reviews major R&D programs in India including programs under the 11th Five-Year Plan, programs under the NEF, R&D and other programs under state agencies and ongoing projects in major research institutions .

  20. Molecular and Electronic Structure of Cyclic Trinuclear Gold(I) Carbeniate Complexes: Insights for Structure/Luminescence/Conductivity Relationships

    SciTech Connect (OSTI)

    McDougaldJr, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R; Rabaa, Hassan; Wang, Xiaoping; Nesterov, Vladimir; Cundari, Thomas R.; Gnade, Bruce E; Omary, Mohammad A

    2014-01-01

    An experimental and computational study of correlations between solid-state structure and optical/electronic properties of cyclotrimeric gold(I) carbeniates, [Au-3(RN=COR')(3)] (R, R' = H, Me, Bu-n, or (c)Pe), is reported. Synthesis and structural and photophysical characterization of novel complexes [Au-3(MeN=(COBu)-Bu-n)(3)], [Au-3((BuN)-Bu-n=COMe)(3)], [Au-3((BuN)-Bu-n=(COBu)-Bu-n)(3)], and [Au-3((c)PeN=COMe)(3)] are presented. Changes in R and R' lead to distinctive variations in solid-state stacking, luminescence spectra, and conductive properties. Solid-state emission and excitation spectra for each complex display a remarkable dependence on the solid-state packing of the cyclotrimers. The electronic structure of [Au-3(RN=COR')(3)] was investigated via molecular and solid-state simulations. Calculations on [Au-3(HN=COH)(3)] models indicate that the infinitely extended chain of eclipsed structures with equidistant Au-Au intertrimer aurophilic bonding can have lower band gaps, smaller Stokes shifts, and reduced reorganization energies (lambda). The action of one cyclotrimer as a molecular nanowire is demonstrated via fabrication of an organic field effect transistor and shown to produce a p-type field effect. Hole transport for the same cyclotrimer-doped within a poly(9-vinylcarbazole) host-produced a colossal increase in current density from similar to 1 to similar to 1000 mA/cm(2). Computations and experiments thus delineate the complex relationships between solid-state morphologies, electronic structures, and optoelectronic properties of gold(I) carbeniates.

  1. The structure and IR signatures of the arginine-glutamate salt bridge. Insights from the classical MD simulations

    SciTech Connect (OSTI)

    Vener, M. V.; Odinokov, A. V.; Wehmeyer, C.; Sebastiani, D.

    2015-06-07

    Salt bridges and ionic interactions play an important role in protein stability, protein-protein interactions, and protein folding. Here, we provide the classical MD simulations of the structure and IR signatures of the arginine (Arg)glutamate (Glu) salt bridge. The Arg-Glu model is based on the infinite polyalanine antiparallel two-stranded ?-sheet structure. The 1 ?s NPT simulations show that it preferably exists as a salt bridge (a contact ion pair). Bidentate (the end-on and side-on structures) and monodentate (the backside structure) configurations are localized [Donald et al., Proteins 79, 898915 (2011)]. These structures are stabilized by the short {sup +}NH?O{sup ?} bonds. Their relative stability depends on a force field used in the MD simulations. The side-on structure is the most stable in terms of the OPLS-AA force field. If AMBER ff99SB-ILDN is used, the backside structure is the most stable. Compared with experimental data, simulations using the OPLS all-atom (OPLS-AA) force field describe the stability of the salt bridge structures quite realistically. It decreases in the following order: side-on > end-on > backside. The most stable side-on structure lives several nanoseconds. The less stable backside structure exists a few tenth of a nanosecond. Several short-living species (solvent shared, completely separately solvated ionic groups ion pairs, etc.) are also localized. Their lifetime is a few tens of picoseconds or less. Conformational flexibility of amino acids forming the salt bridge is investigated. The spectral signature of the Arg-Glu salt bridge is the IR-intensive band around 2200 cm{sup ?1}. It is caused by the asymmetric stretching vibrations of the {sup +}NH?O{sup ?} fragment. Result of the present paper suggests that infrared spectroscopy in the 20002800 frequency region may be a rapid and quantitative method for the study of salt bridges in peptides and ionic interactions between proteins. This region is usually not considered in spectroscopic studies of peptides and proteins.

  2. New insights into potential functions for the protein 4.1superfamily of proteins in kidney epithelium

    SciTech Connect (OSTI)

    Calinisan, Venice; Gravem, Dana; Chen, Ray Ping-Hsu; Brittin,Sachi; Mohandas, Narla; Lecomte, Marie-Christine; Gascard, Philippe

    2005-06-17

    Members of the protein 4.1 family of adapter proteins are expressed in a broad panel of tissues including various epithelia where they likely play an important role in maintenance of cell architecture and polarity and in control of cell proliferation. We have recently characterized the structure and distribution of three members of the protein 4.1 family, 4.1B, 4.1R and 4.1N, in mouse kidney. We describe here binding partners for renal 4.1 proteins, identified through the screening of a rat kidney yeast two-hybrid system cDNA library. The identification of putative protein 4.1-based complexes enables us to envision potential functions for 4.1 proteins in kidney: organization of signaling complexes, response to osmotic stress, protein trafficking, and control of cell proliferation. We discuss the relevance of these protein 4.1-based interactions in kidney physio-pathology in the context of their previously identified functions in other cells and tissues. Specifically, we will focus on renal 4.1 protein interactions with beta amyloid precursor protein (beta-APP), 14-3-3 proteins, and the cell swelling-activated chloride channel pICln. We also discuss the functional relevance of another member of the protein 4.1 superfamily, ezrin, in kidney physiopathology.

  3. Andromeda (M31) optical and infrared disk survey. I. Insights in wide-field near-IR surface photometry

    SciTech Connect (OSTI)

    Sick, Jonathan; Courteau, Stphane; Cuillandre, Jean-Charles; McDonald, Michael; De Jong, Roelof; Tully, R. Brent

    2014-05-01

    We present wide-field near-infrared J and K{sub s} images of the Andromeda Galaxy (M31) taken with WIRCam at the Canada-France-Hawaii Telescope as part of the Andromeda Optical and Infrared Disk Survey. This data set allows simultaneous observations of resolved stars and near-infrared (NIR) surface brightness across M31's entire bulge and disk (within R = 22 kpc), permitting a direct test of the stellar composition of near-infrared light in a nearby galaxy. Here we develop NIR observation and reduction methods to recover a uniform surface brightness map across the 3 1 disk of M31 with 27 WIRCam fields. Two sky-target nodding strategies are tested, and we find that strictly minimizing sky sampling latency cannot improve background subtraction accuracy to better than 2% of the background level due to spatio-temporal variations in the NIR skyglow. We fully describe our WIRCam reduction pipeline and advocate using flats built from night-sky images over a single night, rather than dome flats that do not capture the WIRCam illumination field. Contamination from scattered light and thermal background in sky flats has a negligible effect on the surface brightness shape compared to the stochastic differences in background shape between sky and galaxy disk fields, which are ?0.3% of the background level. The most dramatic calibration step is the introduction of scalar sky offsets to each image that optimizes surface brightness continuity. Sky offsets reduce the mean surface brightness difference between observation blocks from 1% to <0.1% of the background level, though the absolute background level remains statistically uncertain to 0.15% of the background level. We present our WIRCam reduction pipeline and performance analysis to give specific recommendations for the improvement of NIR wide-field imaging methods.

  4. New insights into low-temperature oxidation of propane from synchrotron photoionization mass spectrometry and multi-scale informatics modeling

    SciTech Connect (OSTI)

    Welz, Oliver; Burke, Michael P.; Antonov, Ivan O.; Goldsmith, C. Franklin; Savee, John David; Osborn, David L.; Taatjes, Craig A.; Klippenstein, Stephen J.; Sheps, Leonid

    2015-04-10

    We studied low-temperature propane oxidation at P = 4 Torr and T = 530, 600, and 670 K by time-resolved multiplexed photoionization mass spectrometry (MPIMS), which probes the reactants, intermediates, and products with isomeric selectivity using tunable synchrotron vacuum UV ionizing radiation. The oxidation is initiated by pulsed laser photolysis of oxalyl chloride, (COCl)2, at 248 nm, which rapidly generates a ~1:1 mixture of 1-propyl (n-propyl) and 2-propyl (i-propyl) radicals via the fast Cl + propane reaction. At all three temperatures, the major stable product species is propene, formed in the propyl + O2 reactions by direct HO2 elimination from both n- and i-propyl peroxy radicals. The experimentally derived propene yields relative to the initial concentration of Cl atoms are (20 4)% at 530 K, (55 11)% at 600 K, and (86 17)% at 670 K at a reaction time of 20 ms. The lower yield of propene at low temperature reflects substantial formation of propyl peroxy radicals, which do not completely decompose on the experimental time scale. In addition, C3H6O isomers methyloxirane, oxetane, acetone, and propanal are detected as minor products. Our measured yields of oxetane and methyloxirane, which are coproducts of OH radicals, suggest a revision of the OH formation pathways in models of low-temperature propane oxidation. The experimental results are modeled and interpreted using a multiscale informatics approach, presented in detail in a separate publication (Burke, M. P.; Goldsmith, C. F.; Klippenstein, S. J.; Welz, O.; Huang H.; Antonov I. O.; Savee J. D.; Osborn D. L.; Zdor, J.; Taatjes, C. A.; Sheps, L. Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions. J. Phys. Chem A. 2015, DOI: 10.1021/acs.jpca.5b01003). Additionally, we found that the model predicts the time profiles and yields of the experimentally observed primary products well, and shows satisfactory agreement for products formed mostly via secondary radicalradical reactions.

  5. Changes in Moisture Flux Over the Tibetan Plateau During 1979-2011: Insights from a High Resolution Simulation

    SciTech Connect (OSTI)

    Gao, Yanhong; Leung, Lai-Yung R.; Zhang, Yongxin; Cuo, Lan

    2015-05-01

    Net precipitation (precipitation minus evapotranspiration, P-E) changes from a high resolution regional climate simulation and its reanalysis forcing are analyzed over the Tibet Plateau (TP) and compared to the global land data assimilation system (GLDAS) product. The mechanism behind the P-E changes is explored by decomposing the column integrated moisture flux convergence into thermodynamic, dynamic, and transient eddy components. High-resolution climate simulation improves the spatial pattern of P-E changes over the best available global reanalysis. Improvement in simulating precipitation changes at high elevations contributes dominantly to the improved P-E changes. High-resolution climate simulation also facilitates new and substantial findings regarding the role of thermodynamics and transient eddies in P-E changes reflected in observed changes in major river basins fed by runoff from the TP. The analysis revealed the contrasting convergence/divergence changes between the northwestern and southeastern TP and feedback through latent heat release as an important mechanism leading to the mean P-E changes in the TP.

  6. Structural insights into substrate specificity of Feruloyl-CoA 6-Hydroxylase from Arabidopsis thaliana

    SciTech Connect (OSTI)

    Sun, Xinxiao; Zhou, Dayong; Kandavelu, Palani; Zhang, Hua; Yuan, Qipeng; Wang, Bi -Cheng; Rose, John; Yan, Yajun

    2015-05-20

    Coumarins belong to an important class of plant secondary metabolites. Feruloyl-CoA 6-hydroxylase (F6H), a 2-oxoglutarate dependent dioxygenase (2OGD), catalyzes a pivotal step in the biosynthesis of a simple coumarin scopoletin. In this study, we determined the 3-dimensional structure of the F6H1 apo enzyme by X-ray crystallography. It is the first reported structure of a 2OGD enzyme involved in coumarin biosynthesis and closely resembles the structure of Arabidopsis thaliana anthocyanidin synthase. To better understand the mechanism of enzyme catalysis and substrate specificity, we also generated a homology model of a related ortho-hydroxylase (C2H) from sweet potato. By comparing these two structures, we targeted two amino acid residues and verified their roles in substrate binding and specificity by site-directed mutagenesis.

  7. Structural insights into substrate specificity of Feruloyl-CoA 6’-Hydroxylase from Arabidopsis thaliana

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

    Sun, Xinxiao; Zhou, Dayong; Kandavelu, Palani; Zhang, Hua; Yuan, Qipeng; Wang, Bi -Cheng; Rose, John; Yan, Yajun

    2015-05-20

    Coumarins belong to an important class of plant secondary metabolites. Feruloyl-CoA 6’-hydroxylase (F6’H), a 2-oxoglutarate dependent dioxygenase (2OGD), catalyzes a pivotal step in the biosynthesis of a simple coumarin scopoletin. In this study, we determined the 3-dimensional structure of the F6’H1 apo enzyme by X-ray crystallography. It is the first reported structure of a 2OGD enzyme involved in coumarin biosynthesis and closely resembles the structure of Arabidopsis thaliana anthocyanidin synthase. To better understand the mechanism of enzyme catalysis and substrate specificity, we also generated a homology model of a related ortho-hydroxylase (C2’H) from sweet potato. By comparing these two structures,more » we targeted two amino acid residues and verified their roles in substrate binding and specificity by site-directed mutagenesis.« less

  8. Comparative genomic analysis of nine Sphingobium strains: Insights into their evolution and hexachlorocyclohexane (HCH) degradation pathways

    SciTech Connect (OSTI)

    Verma, Helianthous; Kumar, Roshan; Oldach, Phoebe; Sangwan, Naseer; Khurana, Jitendra P.; Gilbert, Jack A.; Lal, Rup

    2014-11-23

    Background: Sphingobium spp. are efficient degraders of a wide range of chlorinated and aromatic hydrocarbons. In particular, strains which harbour the lin pathway genes mediating the degradation of hexachlorocyclohexane (HCH) isomers are of interest due to the widespread persistence of this contaminant. Here, we examined the evolution and diversification of the lin pathway under the selective pressure of HCH, by comparing the draft genomes of six newly-sequenced Sphingobium spp. (strains LL03, DS20, IP26, HDIPO4, P25 and RL3) isolated from HCH dumpsites, with three existing genomes (S. indicum B90A, S. japonicum UT26S and Sphingobium sp. SYK6). Results: Efficient HCH degraders phylogenetically clustered in a closely related group comprising of UT26S, B90A, HDIPO4 and IP26, where HDIPO4 and IP26 were classified as subspecies with ANI value >98%. Less than 10% of the total gene content was shared among all nine strains, but among the eight HCH-associated strains, that is all except SYK6, the shared gene content jumped to nearly 25%. Genes associated with nitrogen stress response and two-component systems were found to be enriched. The strains also housed many xenobiotic degradation pathways other than HCH, despite the absence of these xenobiotics from isolation sources. In addition, these strains, although non-motile, but posses flagellar assembly genes. While strains HDIPO4 and IP26 contained the complete set of lin genes, DS20 was entirely devoid of lin genes (except linKLMN) whereas, LL03, P25 and RL3 were identified as lin deficient strains, as they housed incomplete lin pathways. Further, in HDIPO4, linA was found as a hybrid of two natural variants i.e., linA1 and linA2 known for their different enantioselectivity. In conclusion, the bacteria isolated from HCH dumpsites provide a natural testing ground to study variations in the lin system and their effects on degradation efficacy. Further, the diversity in the lin gene sequences and copy number, their arrangement with respect to IS6100 and evidence for potential plasmid content elucidate possible evolutionary acquisition mechanisms for this pathway. This study further opens the horizon for selection of bacterial strains for inclusion in an HCH bioremediation consortium and suggests that HDIPO4, IP26 and B90A would be appropriate candidates for inclusion.

  9. Molecular-Level Insights into the Reactivity of Siloxane-Based Electrolytes at a Lithium-Metal Anode

    SciTech Connect (OSTI)

    Assary, Rajeev S.; Lu, Jun; Luo, Xiangyi; Zhang, Xiaoyi; Ren, Yang; Wu, Huiming; Albishri, Hassan M.; El-Hady, D. A.; Al-Bogami, A. S.; Curtiss, Larry A.; Amine, Khalil

    2014-07-21

    A molecular-level understanding of the reactions that occur at the lithium-metal anode/electrolyte interphase is essential to improve the performance of LiO2 batteries. Experimental and computational techniques are applied to explore the reactivity of tri(ethylene glycol)-substituted trimethylsilane (1NM3), a siloxane-based ether electrolyte, at the lithium-metal anode. In situ/ex situ X-ray diffraction and Fourier-transform infrared spectroscopy studies provide evidence of the formation of lithium hydroxide and lithium carbonates at the anode upon gradual degradation of the metallic lithium anode and the solvent molecules in the presence of oxygen. Density functional calculations performed to obtain a mechanistic understanding of the reductive decomposition of 1NM3 indicate that the decomposition does not require any apparent barrier to produce lithium hydroxide and lithium carbonates when the reduced 1NM3 solvent molecules interact with the oxygen crossing over from the cathode. This study indicates that degradation may be more significant in the case of the 1NM3 solvent, compared to linear ethers such as tetraglyme or dioxalone, because of its relatively high electron affinity. Also, both protection of the lithium metal and prevention of oxygen crossover to the anode are essential for minimizing electrolyte and anode decomposition.

  10. Geochemical, metagenomic and metaproteomic insights into trace metal utilization by methane-oxidizing microbial consortia in sulfidic marine sediments

    SciTech Connect (OSTI)

    Glass, DR. Jennifer; Yu, DR. Hang; Steele, Joshua; Dawson, Katherine; Sun, S; Chourey, Karuna; Hettich, Robert {Bob} L; Orphan, V

    2014-01-01

    Microbes have obligate requirements for trace metals in metalloenzymes that catalyze important biogeochemical reactions. In anoxic methane- and sulfide-rich environments, microbes may have unique adaptations for metal acquisition and utilization due to decreased bioavailability as a result of metal sulfide precipitation. However, micronutrient cycling is largely unexplored in cold ( 10 C) and sulfidic (>1 mM H2S) deep-sea methane seep ecosystems. We investigated trace metal geochemistry and microbial metal utilization in methane seeps offshore Oregon and California, USA, and report dissolved concentrations of nickel (0.5-270 nM), cobalt (0.5-6 nM), molybdenum (10-5,600 nM) and tungsten (0.3-8 nM) in Hydrate Ridge sediment porewaters. Despite low levels of cobalt and tungsten, metagenomic and metaproteomic data suggest that microbial consortia catalyzing anaerobic oxidation of methane utilize both scarce micronutrients in addition to nickel and molybdenum. Genetic machinery for cobalt-containing vitamin B12 biosynthesis was present in both anaerobic methanotrophic archaea (ANME) and sulfate-reducing bacteria (SRB). Proteins affiliated with the tungsten-containing form of formylmethanofuran dehydrogenase were expressed in ANME from two seep ecosystems, the first evidence for expression of a tungstoenzyme in psychrotolerant microorganisms. Finally, our data suggest that chemical speciation of metals in highly sulfidic porewaters may exert a stronger influence on microbial bioavailability than total concentration

  11. THERMAL TECHNIQUES FOR THE IN-SITU CHARACTERIZATION AND REMEDIATION OF MERCURY: INSIGHTS FROM DEPLOYMENT OF THE MEMBRANE INTERFACE PROBE

    SciTech Connect (OSTI)

    Jackson, Dennis; Looney, Brian; Eddy-Dilek, Carol A.

    2013-08-07

    This presentation focuses on how thermal energy can effectively be used to enhance characterization, promote the remediation, and aid in delivering a sequestering agent to stabilize elemental mercury in subsurface soils. Slides and speaker notes are provided.

  12. Insight into the photoelectron angular dependent energy distribution of negative-electron-affinity InP photocathodes

    SciTech Connect (OSTI)

    Chen, Zhanghui; Jiang, Xiangwei; Dong, Shan; Li, Jingbo Li, Shushen; Wang, Linwang

    2014-01-13

    Energy distribution and angular distribution of the photoelectrons from InP photocathodes are investigated using a precise Monte Carlo model. It is found that ?-valley electrons contribute to the first peak of the energy distribution curve, but the second peak is contributed by both ?-valley and L-valley electrons rather than only L-valley electrons. L valley electrons are shown to have a smaller angular spread than ?-valley electrons, which is attributed to the much higher potential energy of L-valley minimum. The further simulation indicates that the performance of InP photocathodes can be improved by increasing the hole concentration or decreasing the temperature, but the activation layer thickness variation only has very slight influence on either energy or angular distribution.

  13. Nanostructured Metal Carbides for Aprotic Li-O2 Batteries. New Insights into Interfacial Reactions and Cathode Stability

    SciTech Connect (OSTI)

    Kundu, Dipan; Black, Robert; Adams, Brian; Harrison, Katharine; Zavadil, Kevin R.; Nazar, Linda F.

    2015-05-01

    The development of nonaqueous Lioxygen batteries, which relies on the reversible reaction of Li + O2 to give lithium peroxide (Li2O2), is challenged by several factors, not the least being the high charging voltage that results when carbon is typically employed as the cathode host. We report here on the remarkably low 3.2 V potential for Li2O2 oxidation on a passivated nanostructured metallic carbide (Mo2C), carbon-free cathode host. Furthermore, online mass spectrometry coupled with X-ray photoelectron spectroscopy unequivocally demonstrates that lithium peroxide is simultaneously oxidized together with the LixMoO3-passivated conductive interface formed on the carbide, owing to their close redox potentials. We found that the process rejuvenates the surface on each cycle upon electrochemical charge by releasing LixMoO3 into the electrolyte, explaining the low charging potential.

  14. New Insights into Low-Temperature Oxidation of Propane from Synchrotron Photoionization Mass Spectrometry and Multi-Scale Informatics Modeling

    SciTech Connect (OSTI)

    Welz, Oliver; Burke, Michael P.; Antonov, Ivan O.; Goldsmith, C. Franklin; Savee, John David; Osborn, David L.; Taatjes, Craig A.; Klippenstein, Stephen J.; Sheps, Leonid

    2015-04-10

    We studied low-temperature propane oxidation at P = 4 Torr and T = 530, 600, and 670 K by time-resolved multiplexed photoionization mass spectrometry (MPIMS), which probes the reactants, intermediates, and products with isomeric selectivity using tunable synchrotron vacuum UV ionizing radiation. The oxidation is initiated by pulsed laser photolysis of oxalyl chloride, (COCl)2, at 248 nm, which rapidly generates a ~1:1 mixture of 1-propyl (n-propyl) and 2-propyl (i-propyl) radicals via the fast Cl + propane reaction. At all three temperatures, the major stable product species is propene, formed in the propyl + O2 reactions by direct HO2 elimination from both n- and i-propyl peroxy radicals. The experimentally derived propene yields relative to the initial concentration of Cl atoms are (20 4)% at 530 K, (55 11)% at 600 K, and (86 17)% at 670 K at a reaction time of 20 ms. The lower yield of propene at low temperature reflects substantial formation of propyl peroxy radicals, which do not completely decompose on the experimental time scale. In addition, C3H6O isomers methyloxirane, oxetane, acetone, and propanal are detected as minor products. Our measured yields of oxetane and methyloxirane, which are coproducts of OH radicals, suggest a revision of the OH formation pathways in models of low-temperature propane oxidation. The experimental results are modeled and interpreted using a multiscale informatics approach, presented in detail in a separate publication (Burke, M. P.; Goldsmith, C. F.; Klippenstein, S. J.; Welz, O.; Huang H.; Antonov I. O.; Savee J. D.; Osborn D. L.; Zdor, J.; Taatjes, C. A.; Sheps, L. Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions. J. Phys. Chem A. 2015, DOI: 10.1021/acs.jpca.5b01003). Additionally, we found that the model predicts the time profiles and yields of the experimentally observed primary products well, and shows satisfactory agreement for products formed mostly via secondary radicalradical reactions.

  15. Insight from simulations of single-well injection-withdrawal tracer tests on simple and complex fractures

    SciTech Connect (OSTI)

    Tsang, C.-F.; Doughty, C.

    2009-08-06

    The single-well injection withdrawal (SWIW) test, a tracer test utilizing only one well, is proposed as a useful contribution to site characterization of fractured rock, as well as providing parameters relevant to tracer diffusion and sorption. The usual conceptual model of flow and solute transport through fractured rock with low matrix permeability involves solute advection and dispersion through a fracture network coupled with diffusion and sorption into the surrounding rock matrix. Unlike two-well tracer tests, results of SWIW tests are ideally independent of advective heterogeneity, channeling and flow dimension, and, instead, focus on diffusive and sorptive characteristics of tracer (solute) transport. Thus, they can be used specifically to study such characteristics and evaluate the diffusive parameters associated with tracer transport through fractured media. We conduct simulations of SWIW tests on simple and complex fracture models, the latter being defined as having two subfractures with altered rock blocks in between and gouge material in their apertures. Using parameters from the Aspo site in Sweden, we calculate and study SWIW tracer breakthrough curves (BTCs) from a test involving four days of injection and then withdrawal. By examining the peak concentration C{sub pk} of the SWIW BTCs for a variety of parameters, we confirm that C{sub pk} is largely insensitive to the fracture advective flow properties, in particular to permeability heterogeneity over the fracture plane or to subdividing the flow into two subfractures in the third dimension orthogonal to the fracture plane. The peak arrival time t{sub pk} is not a function of fracture or rock properties, but is controlled by the time schedule of the SWIW test. The study shows that the SWIW test is useful for the study of tracer diffusion-sorption processes, including the effect of the so-called flow-wetted surface (FWS) of the fracture. Calculations with schematic models with different FWS values are conducted and the possibility of direct in situ measurement of FWS with SWIW tests is demonstrated.

  16. Complete genome of the cellulolytic thermophile Acidothermus cellulolyticus 11B provides insights into its ecophysiological and evolutionary adaptations

    SciTech Connect (OSTI)

    Xie, Gary; Detter, John C; Bruce, David C; Challacombe, Jean F; Brettin, Thomas S; Necsulea, Anamaria; Daubin, Vincent; Medigue, Claudine; Adney, William S; Xu, Xin C; Lapidus, Alla; Pujic, Pierre; Berry, Alison M; Barabote, Ravi D; Leu, David; Normand, Phillipe

    2009-01-01

    We present here the complete 2.4 MB genome of the actinobacterial thermophile, Acidothermus cellulolyticus 11B, that surprisingly reveals thermophilic amino acid usage in only the cytosolic subproteome rather than its whole proteome. Thermophilic amino acid usage in the partial proteome implies a recent, ongoing evolution of the A. cellulolyticus genome since its divergence about 200-250 million years ago from its closest phylogenetic neighbor Frankia, a mesophilic plant symbiont. Differential amino acid usage in the predicted subproteomes of A. cellulolyticus likely reflects a stepwise evolutionary process of modern thermophiles in general. An unusual occurrence of higher G+C in the non-coding DNA than in the transcribed genome reinforces a late evolution from a higher G+C common ancestor. Comparative analyses of the A. cellulolyticus genome with those of Frankia and other closely-related actinobacteria revealed that A. cellulolyticus genes exhibit reciprocal purine preferences at the first and third codon positions, perhaps reflecting a subtle preference for the dinucleotide AG in its mRNAs, a possible adaptation to a thermophilic environment. Other interesting features in the genome of this cellulolytic, hot-springs dwelling prokaryote reveal streamlining for adaptation to its specialized ecological niche. These include a low occurrence of pseudo genes or mobile genetic elements, a flagellar gene complement previously unknown in this organism, and presence of laterally-acquired genomic islands of likely ecophysiological value. New glycoside hydrolases relevant for lignocellulosic biomass deconstruction were identified in the genome, indicating a diverse biomass-degrading enzyme repertoire several-fold greater than previously characterized, and significantly elevating the industrial value of this organism.

  17. Complete genome of the cellulolytic thermophile Acidothermus cellulolyticus 11B provides insights into its ecophysiological and evolutionary adaptations

    SciTech Connect (OSTI)

    Xie, Gary; Detter, Chris; Bruce, David; Challacome, Jean F; Brettin, Thomas S; Barabote, Ravi D; Leu, David; Normand, Philippe; Necsula, Anamaria; Daubin, Vincent; Medigue, Claudine; Xu, Xin C; Lapidus, Alla; Pujic, Pierre; Richardson, Paul; Berry, Alison M

    2008-01-01

    We present here the complete 2.4 MB genome of the actinobacterial thermophile, Acidothermus cellulolyticus lIB, that surprisingly reveals thermophilic amino acid usage in only the cytosolic subproteome rather than its whole proteome. Thermophilic amino acid usage in the partial proteome implies a recent, ongoing evolution of the A. cellulolyticus genome since its divergence about 200-250 million years ago from its closest phylogenetic neighbor Frankia, a mesophilic plant symbiont. Differential amino acid usage in the predicted subproteomes of A. cellulolyticus likely reflects a stepwise evolutionary process of modern thermophiles in general. An unusual occurrence of higher G+C in the non-coding DNA than in the transcribed genome reinforces a late evolution from a higher G+C common ancestor. Comparative analyses of the A. cellulolyticus genome with those of Frankia and other closely-related actinobacteria revealed that A. cellulolyticus genes exhibit reciprocal purine preferences at the first and third codon positions, perhaps reflecting a subtle preference for the dinucleotide AG in its mRNAs, a possible adaptation to a thermophilic environment. Other interesting features in the genome of this cellulolytic, hot-springs dwelling prokaryote reveal streamlining for adaptation to its specialized ecological niche. These include a low occurrence of pseudogenes or mobile genetic elements, a flagellar gene complement previously unknown in this organism, and presence of laterally-acquired genomic islands of likely ecophysiological value. New glycoside hydrolases relevant for lignocellulosic biomass deconstruction were identified in the genome, indicating a diverse biomass-degrading enzyme repertoire several-fold greater than previously characterized, and significantly elevating the industrial value of this organism.

  18. Improving the Usability of Integrated Assessment for Adaptation Practice: Insights from the U.S. Southeast Energy Sector

    SciTech Connect (OSTI)

    de Bremond, Ariane; Preston, Benjamin; Rice, Jennie S.

    2014-10-01

    Energy systems comprise a key sector of the U.S. economy, and one that has been identified as potentially vulnerable to the effects of climate variability and change. However, understanding of adaptation processes in energy companies and private entities more broadly is limited. It is unclear, for example, the extent to which energy companies are well-served by existing knowledge and tools emerging from the impacts, adaptation and vulnerability (IAV) and integrated assessment modeling (IAM) communities and/or what experiments, analyses, and model results have practical utility for informing adaptation in the energy sector. As part of a regional IAM development project, we investigated available evidence of adaptation processes in the energy sector, with a particular emphasis on the U.S. Southeast and Gulf Coast region. A mixed methods approach of literature review and semi-structured interviews with key informants from energy utilities was used to compare existing knowledge from the IAV community with that of regional stakeholders. That comparison revealed that much of the IAV literature on the energy sector is climate-centric and therefore disconnected from the more integrated decision-making processes and institutional perspectives of energy utilities. Increasing the relevance of research and assessment for the energy sector will necessitate a greater investment in integrated assessment and modeling efforts that respond to practical decision-making needs as well as greater collaboration between energy utilities and researchers in the design, execution, and communication of those efforts.

  19. Insights into Stabilization of the 99TcVO Core for Synthesis of 99TcVO Compounds

    SciTech Connect (OSTI)

    McGregor, Donna; Burton-Pye, Benjamin P.; Lukens, Wayne W.; Howell, Robertha C.; Francesconi, Lynn C.

    2014-01-01

    Synthesis of technetium-99 (99Tc; t1/2: 2.1 105 years, max: 253 keV) materials is of importance in studies of the nuclear fuel cycle where Tc is a major fission product (6percent thermal yield from 235U and 239Pu), in understanding radioactive tank waste composition, and in identifying 99mTc compounds for nuclear medicine imaging. One of the most useful synthetic starting materials, (NBu4)TcOCl4, is susceptible to disproportionation in water to form TcO4 and TcIV species, especially TcO2 2H2O. This unwanted reaction is especially problematic when working with ligands bearing hard donor atoms, such as oxygen, where the stability with the soft TcV=O3+ core may be low. Polyoxometalates (POMs) are such ligands. They possess defect sites with four hard oxygen atoms and show low (ca. 108) stability constants with transition metals. Tc complexes of POMs are molecular-level models for Tc metal oxide solid-state materials and can provide information on coordination and redox environments of metal oxides that stabilize low-valent Tc. In order to synthesize pure Tc POM complexes [TcVO(1-P2W17O61)]7 (TcVO-1) and [TcVO(2-P2W17O61)]7 (TcVO-2) from (NBu4)TcOCl4, we have identified strategies that minimize formation of TcIV species and optimize the formation of pure TcV species. The parameters that we consider are the amount of ethylene glycol, which is employed as a transfer ligand to prevent hydrolysis of (NBu4)TcOCl4, and the precipitating agent. The TcIV species that contaminates the non-optimized syntheses is likely a TcIV -oxido-bridged dimer [TcIV-(-O)2-TcIV]. We also employ a novel procedure where the 2 ligand is photoactivated and reduced (in the presence of a sacrificial electron donor) to subsequently reduce TcVIIO4 to an isolatable TcVO-2 product that is remarkably free of TcIV.

  20. Geochemical, metagenomic and metaproteomic insights into trace metal utilization by methane-oxidizing microbial consortia in sulphidic marine sediments

    SciTech Connect (OSTI)

    Glass, DR. Jennifer; Yu, DR. Hang; Steele, Joshua; Dawson, Katherine; Sun, S; Chourey, Karuna; Pan, Chongle; Hettich, Robert {Bob} L; Orphan, V

    2013-01-01

    Microbes have obligate requirements for trace metals in metalloenzymes that catalyse important biogeochemical reactions. In anoxic methane- and sulphiderich environments, microbes may have unique adaptations for metal acquisition and utilization because of decreased bioavailability as a result of metal sulphide precipitation. However, micronutrient cycling is largely unexplored in cold ( 10 C) and sulphidic (> 1 mM H2S) deep-sea methane seep ecosystems. We investigated trace metal geochemistry and microbial metal utilization in methane seeps offshore Oregon and California, USA, and report dissolved concentrations of nickel (0.5 270 nM), cobalt (0.5 6 nM), molybdenum (10 5600 nM) and tungsten (0.3 8 nM) in Hydrate Ridge sediment porewaters. Despite low levels of cobalt and tungsten, metagenomic and metaproteomic data suggest that microbial consortia catalysing anaerobic oxidation of methane (AOM) utilize both scarce micronutrients in addition to nickel and molybdenum. Genetic machinery for cobalt-containing vitamin B12 biosynthesis was present in both anaerobic methanotrophic archaea (ANME) and sulphate-reducing bacteria. Proteins affiliated with the tungsten-containing form of formylmethanofuran dehydrogenase were expressed in ANME from two seep ecosystems, the first evidence for expression of a tungstoenzyme in psychrophilic microorganisms. Overall, our data suggest that AOM consortia use specialized biochemical strategies to overcome the challenges of metal availability in sulphidic environments.

  1. Insights into the Structure and Metabolic Function of Microbes That Shape Pelagic Iron-Rich Aggregates ( Iron Snow )

    SciTech Connect (OSTI)

    Lu, S; Chourey, Karuna; REICHE, M; Nietzsche, S; Shah, Manesh B; Hettich, Robert {Bob} L; Kusel, K

    2013-01-01

    Metaproteomics combined with total nucleic acid-based methods aided in deciphering the roles of microorganisms in the formation and transformation of iron-rich macroscopic aggregates (iron snow) formed in the redoxcline of an acidic lignite mine lake. Iron snow had high total bacterial 16S rRNA gene copies, with 2 x 109 copies g (dry wt)-1 in the acidic (pH 3.5) central lake basin and 4 x 1010 copies g (dry wt)-1 in the less acidic (pH 5.5) northern lake basin. Active microbial communities in the central basin were dominated by Alphaproteobacteria (36.6%) and Actinobacteria (21.4%), and by Betaproteobacteria (36.2%) in the northern basin. Microbial Fe-cycling appeared to be the dominant metabolism in the schwertmannite-rich iron snow, because cloning and qPCR assigned up to 61% of active bacteria as Fe-cycling bacteria (FeB). Metaproteomics revealed 70 unique proteins from central basin iron snow and 283 unique proteins from 43 genera from northern basin. Protein identification provided a glimpse into in situ processes, such as primary production, motility, metabolism of acidophilic FeB, and survival strategies of neutrophilic FeB. Expression of carboxysome shell proteins and RubisCO indicated active CO2 fixation by Fe(II) oxidizers. Flagellar proteins from heterotrophs indicated their activity to reach and attach surfaces. Gas vesicle proteins related to CO2-fixing Chlorobium suggested that microbes could influence iron snow sinking. We suggest that iron snow formed by autotrophs in the redoxcline acts as a microbial parachute, since it is colonized by motile heterotrophs during sinking which start to dissolve schwertmannite.

  2. Proteome Insights into the Symbiotic Relationship Between a Captive Colony of Nasutitermes corniger and its Hindgut Microbiome

    SciTech Connect (OSTI)

    Burnum, Kristin E.; Callister, Stephen J.; Nicora, Carrie D.; Purvine, Samuel O.; Hugenholtz, Philip; Warnecke, Falk; Scheffrahn, Rudolf H.; Smith, Richard D.; Lipton, Mary S.

    2011-01-01

    Termites degrade and thrive on lignocellulose with help from the bacterial microbiome harbored within their guts. Because most of the diverse microorganisms within the gut microcobial community have yet to be cultivated, the proteomics details of the symbiotic mechanism remain unclear. In a metaproteomics study, we analyzed the bacterial community resident in the hindgut paunch of the wood-feeding higher Nasutitermes species and identified 886 proteins, 197 of which have known enzymatic function. Using these enzymes, we reconstructed known metabolic pathways to gain a better understanding of carbohydrate transport and metabolism, nitrogen fixation and assimilation, energy production, and amino acid synthesis in these bacterial microbiomes.

  3. Precipitation and Air Pollution at Mountain and Plain Stations in Northern China: Insights Gained from Observations and Modeling

    SciTech Connect (OSTI)

    Guo, Jianping; Deng, Minjun; Fan, Jiwen; Li, Zhanqing; Chen, Qian; Zhai, Panmao; Dai, Zhijian; Li, Xiaowen

    2014-04-27

    We analyzed 40 year data sets of daily average visibility (a proxy for surface aerosol concentration) and hourly precipitation at seven weather stations, including three stations located on the Taihang Mountains, during the summertime in northern China. There was no significant trend in summertime total precipitation at almost all stations. However, light rain decreased, whereas heavy rain increased as visibility decreased over the period studied. The decrease in light rain was seen in both orographic-forced shallow clouds and mesoscale stratiform clouds. The consistent trends in observed changes in visibility, precipitation, and orographic factor appear to be a testimony to the effects of aerosols. The potential impact of large-scale environmental factors, such as precipitable water, convective available potential energy, and vertical wind shear, on precipitation was investigated. No direct links were found. To validate our observational hypothesis about aerosol effects, Weather Research and Forecasting model simulations with spectral-bin microphysics at the cloud-resolving scale were conducted. Model results confirmed the role of aerosol indirect effects in reducing the light rain amount and frequency in the mountainous area for both orographic-forced shallow clouds and mesoscale stratiform clouds and in eliciting a different response in the neighboring plains. The opposite response of light rain to the increase in pollution when there is no terrain included in the model suggests that orography is likely a significant factor contributing to the opposite trends in light rain seen in mountainous and plain areas.

  4. Stability of the standard Crank-Nicolson-Galerkin scheme applied to the diffusion-convection equation: Some new insights

    SciTech Connect (OSTI)

    Perrochet, P.; Berod, D. )

    1993-09-01

    A stability analysis of the classical Crank-Nicolson-Galerkin (CNG) scheme applied to the one-dimensional solute transport equation is proposed on the basis of two fairly different approaches. Using a space-time eigenvalue analysis, it is shown, at least for subsurface hydrology applications, that the CNG scheme is theoretically stable under the condition PeCr [le] 2, where Pe and Cr are the mesh Peclet and Courant numbers. Then, to assess the computational stability of the scheme, the amplification matrix is constructed, and its norm is displayed in the (Pe, Cr) space. The results indicate that the norm of the amplification matrix is never smaller than unity and exhibits a hyperbolic nature analogous to the above theoretical condition. 21 refs., 2 figs.

  5. Insights from Smart Meters. Identifying Specific Actions, Behaviors and Characteristics that drive savings in Behavior-Based Programs

    SciTech Connect (OSTI)

    Todd, Annika; Perry, Michael; Smith, Brian; Sullivan, Michael; Cappers, Peter; Goldman, Charles A.

    2014-12-01

    In this report, we use smart meter data to analyze specific actions, behaviors, and characteristics that drive energy savings in a behavior-based (BB) program. Specifically, we examine a Home Energy Report (HER) program. These programs typically obtain 1% to 3% annual savings, and recent studies have shown hourly savings of between 0.5% and 3%. But what is driving these savings? What types of households tend to be high-savers, and what behaviors are they adopting? There are several possibilities: one-time behaviors (e.g., changing thermostat settings); reoccurring habitual behaviors (e.g., turning off lights); and equipment purchase behaviors (e.g., energy efficient appliances), and these may vary across households, regions, and over time.

  6. Crystal Structure And Mutagenisis of the Metallochaperone MeaB: Insight Into the Causes of the Methylmalonic Aciduria

    SciTech Connect (OSTI)

    Hubbard, P.A.; Padovani, D.; Labunska, T.; Mahlstedt, S.A.; Banerjee, R.; Drennan, C.L.

    2009-06-01

    MeaB is an auxiliary protein that plays a crucial role in the protection and assembly of the B{sub 12}-dependent enzyme methylmalonyl-CoA mutase. Impairments in the human homologue of MeaB, MMAA, lead to methylmalonic aciduria, an inborn error of metabolism. To explore the role of this metallochaperone, its structure was solved in the nucleotide-free form, as well as in the presence of product, GDP. MeaB is a homodimer, with each subunit containing a central {alpha}/{beta}-core G domain that is typical of the GTPase family, as well as a-helical extensions at the N and C termini that are not found in other metalloenzyme chaperone GTPases. The C-terminal extension appears to be essential for nucleotide-independent dimerization, and the N-terminal region is implicated in protein-protein interaction with its partner protein, methylmalonyl-CoA mutase. The structure of MeaB confirms that it is a member of the G3E family of P-loop GTPases, which contains other putative metallochaperones HypB, CooC, and UreG. Interestingly, the so-called switch regions, responsible for signal transduction following GTP hydrolysis, are found at the dimer interface of MeaB instead of being positioned at the surface of the protein where its partner protein methylmalonyl-CoA mutase should bind. This observation suggests a large conformation change of MeaB must occur between the GDP- and GTP-bound forms of this protein. Because of their high sequence homology, the missense mutations in MMAA that result in methylmalonic aciduria have been mapped onto MeaB and, in conjunction with mutagenesis data, provide possible explanations for the pathology of this disease.

  7. Insights into the Molecular Activation Mechanism of the RhoA-specific Guanine Nucleotide Exchange Factor, PDZRhoGEF

    SciTech Connect (OSTI)

    Bielnicki, Jakub A.; Shkumatov, Alexander V.; Derewenda, Urszula; Somlyo, Avril V.; Svergun, Dmitri I.; Derewenda, Zygmunt S.

    2012-10-09

    PDZRhoGEF (PRG) belongs to a small family of RhoA-specific nucleotide exchange factors that mediates signaling through select G-protein-coupled receptors via G{alpha}{sub 12/13} and activates RhoA by catalyzing the exchange of GDP to GTP. PRG is a multidomain protein composed of PDZ, regulators of G-protein signaling-like (RGSL), Dbl-homology (DH), and pleckstrin-homology (PH) domains. It is autoinhibited in cytosol and is believed to undergo a conformational rearrangement and translocation to the membrane for full activation, although the molecular details of the regulation mechanism are not clear. It has been shown recently that the main autoregulatory elements of PDZRhoGEF, the autoinhibitory 'activation box' and the 'GEF switch,' which is required for full activation, are located directly upstream of the catalytic DH domain and its RhoA binding surface, emphasizing the functional role of the RGSL-DH linker. Here, using a combination of biophysical and biochemical methods, we show that the mechanism of PRG regulation is yet more complex and may involve an additional autoinhibitory element in the form of a molten globule region within the linker between RGSL and DH domains. We propose a novel, two-tier model of autoinhibition where the activation box and the molten globule region act synergistically to impair the ability of RhoA to bind to the catalytic DH-PH tandem. The molten globule region and the activation box become less ordered in the PRG-RhoA complex and dissociate from the RhoA-binding site, which may constitute a critical step leading to PRG activation.

  8. Land-use change trajectories up to 2050: insights from a global agro-economic model comparison

    SciTech Connect (OSTI)

    Schmitz, Christoph; van Meijl, Hans; Kyle, G. Page; Nelson, Gerald C.; Fujimori, Shinichiro; Gurgel, Angelo; Havlik, Petr; Heyhoe, Edwina; Mason d'Croz, Daniel; Popp, Alexander; Sands, Ronald; Tabeau, Andrzej; van der Mensbrugghe, Dominique; von Lampe, Martin; Wise, Marshall A.; Blanc, Elodie; Hasegawa, Tomoko; Kavallari, Aikaterini; Valin, Hugo

    2014-01-01

    Changes in agricultural land use have important implications for environmental services. Previous studies of agricultural land-use futures have been published indicating large uncertainty due to different model assumptions and methodologies. In this article we present a first comprehensive comparison of global agro-economic models that have harmonized drivers of population, GDP, and biophysical yields. The comparison allows us to ask two research questions: (1) How much cropland will be used under different socioeconomic and climate change scenarios? (2) How can differences in model results be explained? The comparison includes four partial and six general equilibrium models that differ in how they model land supply and amount of potentially available land. We analyze results of two different socioeconomic scenarios and three climate scenarios (one with constant climate). Most models (7 out of 10) project an increase of cropland of 1025% by 2050 compared to 2005 (under constant climate), but one model projects a decrease. Pasture land expands in some models, which increase the treat on natural vegetation further. Across all models most of the cropland expansion takes place in South America and sub-Saharan Africa. In general, the strongest differences in model results are related to differences in the costs of land expansion, the endogenous productivity responses, and the assumptions about potential cropland.

  9. New insights into the thermodynamic behavior of 2LiBH4-MgH2 composite for hydrogen storage

    SciTech Connect (OSTI)

    Cova, Federico; Ronnebro, Ewa; Choi, Yong-Joon; Gennari, Fabiana; Larochette, Pierre

    2015-06-15

    The composite 2LiBH4:MgH2 has been studied as a possible hydrogen storage material due to its high storage capacity. The present work is directed towards the clarification of the thermodynamic behavior of the system, especially in the temperature region above 400C. We reveal different reaction paths during hydrogen absorption and desorption at various temperatures which has important implication for applications. At temperatures higher than 413C, the observation of two different absorption pressure plateaus indicates that two different reactions occur, however, below this temperature there is only one plateau present in the system. During desorption, the double plateau can be observed at temperatures as low as 375C.

  10. Insights into substrate specificity of NlpC/P60 cell wall hydrolases containing bacterial SH3 domains

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

    Xu, Qingping; Mengin-Lecreulx, Dominique; Liu, Xueqian W.; Patin, Delphine; Farr, Carol L.; Grant, Joanna C.; Chiu, Hsiu -Ju; Jaroszewski, Lukasz; Knuth, Mark W.; Godzik, Adam; et al

    2015-09-15

    Bacterial SH3 (SH3b) domains are commonly fused with papain-like Nlp/P60 cell wall hydrolase domains. To understand how the modular architecture of SH3b and NlpC/P60 affects the activity of the catalytic domain, three putative NlpC/P60 cell wall hydrolases were biochemically and structurally characterized. In addition, these enzymes all have γ-d-Glu-A2pm (A2pm is diaminopimelic acid) cysteine amidase (ordl-endopeptidase) activities but with different substrate specificities. One enzyme is a cell wall lysin that cleaves peptidoglycan (PG), while the other two are cell wall recycling enzymes that only cleave stem peptides with an N-terminall-Ala. Their crystal structures revealed a highly conserved structure consisting ofmore » two SH3b domains and a C-terminal NlpC/P60 catalytic domain, despite very low sequence identity. Interestingly, loops from the first SH3b domain dock into the ends of the active site groove of the catalytic domain, remodel the substrate binding site, and modulate substrate specificity. Two amino acid differences at the domain interface alter the substrate binding specificity in favor of stem peptides in recycling enzymes, whereas the SH3b domain may extend the peptidoglycan binding surface in the cell wall lysins. Remarkably, the cell wall lysin can be converted into a recycling enzyme with a single mutation.Peptidoglycan is a meshlike polymer that envelops the bacterial plasma membrane and bestows structural integrity. Cell wall lysins and recycling enzymes are part of a set of lytic enzymes that target covalent bonds connecting the amino acid and amino sugar building blocks of the PG network. These hydrolases are involved in processes such as cell growth and division, autolysis, invasion, and PG turnover and recycling. To avoid cleavage of unintended substrates, these enzymes have very selective substrate specificities. Our biochemical and structural analysis of three modular NlpC/P60 hydrolases, one lysin, and two recycling enzymes, show that they may have evolved from a common molecular architecture, where the substrate preference is modulated by local changes. These results also suggest that new pathways for recycling PG turnover products, such as tracheal cytotoxin, may have evolved in bacteria in the human gut microbiome that involve NlpC/P60 cell wall hydrolases.« less

  11. Plasmonic excitations in ZnO/Ag/ZnO multilayer systems: Insight into interface and bulk electronic properties

    SciTech Connect (OSTI)

    Philipp, Martin; Knupfer, Martin; Buechner, Bernd; Gerardin, Hadia

    2011-03-15

    Electron energy-loss spectroscopy experiments in transmission were carried out on silver-based multi-layer systems, consisting of a silver layer of various thicknesses (8, 10 and 50 nm) sandwiched between two Al-doped ZnO layers. The films were produced by magnetron sputtering using potassium bromide single crystals as substrates. The electronic structure of these systems was probed and analyzed with respect to their plasmonic excitations, which can be basically split up into excitations of the electrons in the bulk silver and excitations at the ZnO:Al/Ag interface. A detailed examination of the momentum dependence of the plasmon peaks revealed a positive dispersion for both, the volume and the interface plasmon, where only for the first one a quadratic behavior (as expected for a free electron gas) could be observed. Furthermore, the peak width was analyzed and set into relation to electrical conductivity measurements by calculating the plasmon lifetime and the electron scattering rate. Here, a good agreement between these different methods was obtained.

  12. Nanostructured Metal Carbides for Aprotic Li-O2 Batteries. New Insights into Interfacial Reactions and Cathode Stability

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

    Kundu, Dipan; Black, Robert; Adams, Brian; Harrison, Katharine; Zavadil, Kevin R.; Nazar, Linda F.

    2015-05-01

    The development of nonaqueous Li–oxygen batteries, which relies on the reversible reaction of Li + O2 to give lithium peroxide (Li2O2), is challenged by several factors, not the least being the high charging voltage that results when carbon is typically employed as the cathode host. We report here on the remarkably low 3.2 V potential for Li2O2 oxidation on a passivated nanostructured metallic carbide (Mo2C), carbon-free cathode host. Furthermore, online mass spectrometry coupled with X-ray photoelectron spectroscopy unequivocally demonstrates that lithium peroxide is simultaneously oxidized together with the LixMoO3-passivated conductive interface formed on the carbide, owing to their close redoxmore » potentials. We found that the process rejuvenates the surface on each cycle upon electrochemical charge by releasing LixMoO3 into the electrolyte, explaining the low charging potential.« less

  13. Direct Experimental Evaluation of the Grain Boundaries Gas Content in PWR fuels: New Insight and Perspective of the ADAGIO Technique

    SciTech Connect (OSTI)

    Pontillon, Y.; Noirot, J.; Caillot, L.

    2007-07-01

    Over the last decades, many analytical experiments (in-pile and out-of-pile) have underlined the active role of the inter-granular gases on the global fuel transient behavior under accidental conditions such as RIA and/or LOCA. In parallel, the improvement of fission gas release modeling in nuclear fuel performance codes needs direct experimental determination/validation regarding the local gas distribution inside the fuel sample. In this context, an experimental program, called 'ADAGIO' (French acronym for Discriminating Analysis of Accumulation of Inter-granular and Occluded Gas), has been initiated through a joint action of CEA, EDF and AREVA NP in order to develop a new device/technique for quantitative and direct measurement of local fission gas distribution within an irradiated fuel pellet. ADAGIO technique is based on the fact that fission gas inventory (intra and inter-granular parts) can be distinguished by controlled fuel oxidation, since grain boundaries oxidize faster than the bulk. The purpose of the current paper is to present both the methodology and the associated results of the ADAGIO program performed at CEA. It has been divided into two main parts: (i) feasibility (UO{sub 2} and MOX fuels), (ii) application on high burn up UO{sub 2} fuel. (authors)

  14. HIGH PRECISION ABUNDANCES OF THE OLD SOLAR TWIN HIP 102152: INSIGHTS ON Li DEPLETION FROM THE OLDEST SUN

    SciTech Connect (OSTI)

    Monroe, TalaWanda R.; Melendez, Jorge; Tucci Maia, Marcelo; Freitas, Fabricio C.; Yong, David; Asplund, Martin; Alves-Brito, Alan; Casagrande, Luca; Bergemann, Maria; Bedell, Megan; Bean, Jacob; Lind, Karin; Castro, Matthieu; Do Nascimento, Jose-Dias; Bazot, Michael

    2013-09-10

    We present the first detailed chemical abundance analysis of the old 8.2 Gyr solar twin, HIP 102152. We derive differential abundances of 21 elements relative to the Sun with precisions as high as 0.004 dex ({approx}<1%), using ultra high-resolution (R = 110,000), high S/N UVES spectra obtained on the 8.2 m Very Large Telescope. Our determined metallicity of HIP 102152 is [Fe/H] = -0.013 {+-} 0.004. The atmospheric parameters of the star were determined to be 54 K cooler than the Sun, 0.09 dex lower in surface gravity, and a microturbulence identical to our derived solar value. Elemental abundance ratios examined versus dust condensation temperature reveal a solar abundance pattern for this star, in contrast to most solar twins. The abundance pattern of HIP 102152 appears to be the most similar to solar of any known solar twin. Abundances of the younger, 2.9 Gyr solar twin, 18 Sco, were also determined from UVES spectra to serve as a comparison for HIP 102152. The solar chemical pattern of HIP 102152 makes it a potential candidate to host terrestrial planets, which is reinforced by the lack of giant planets in its terrestrial planet region. The following non-local thermodynamic equilibrium Li abundances were obtained for HIP 102152, 18 Sco, and the Sun: log {epsilon} (Li) = 0.48 {+-} 0.07, 1.62 {+-} 0.02, and 1.07 {+-} 0.02, respectively. The Li abundance of HIP 102152 is the lowest reported to date for a solar twin, and allows us to consider an emerging, tightly constrained Li-age trend for solar twin stars.

  15. INSIGHTS INTO SURFACE HYDROGENATION IN THE INTERSTELLAR MEDIUM: OBSERVATIONS OF METHANIMINE AND METHYL AMINE IN Sgr B2(N)

    SciTech Connect (OSTI)

    Halfen, D. T.; Ziurys, L. M.; Ilyushin, V. V. E-mail: lziurys@as.arizona.edu

    2013-04-10

    Multiple observations of methanimine (CH{sub 2}NH) and methyl amine (CH{sub 3}NH{sub 2}) have been performed toward Sgr B2(N) at 1, 2, and 3 mm using the Submillimeter Telescope and the 12 m antenna of the Arizona Radio Observatory. In the frequency range 68-280 GHz, 23 transitions of CH{sub 2}NH and 170 lines of CH{sub 3}NH{sub 2} have been observed as individual, distinguishable features, although some are partially blended with other lines. For CH{sub 2}NH, the line profiles indicate V{sub LSR} = 64.2 {+-} 1.4 km s{sup -1} and {Delta}V{sub 1/2} = 13.8 {+-} 2.8 km s{sup -1}, while V{sub LSR} = 63.7 {+-} 1.6 km s{sup -1} and {Delta}V{sub 1/2} = 15.1 {+-} 3.0 km s{sup -1} for CH{sub 3}NH{sub 2}, parameters that are very similar to those of other organic species in Sgr B2(N). From these data, rotational diagrams were constructed for both species. In the case of CH{sub 2}NH, a rotational temperature of T{sub rot} = 44 {+-} 13 K and a column density of N{sub tot} = (9.1 {+-} 4.4) Multiplication-Sign 10{sup 14} cm{sup -2} were determined from the analysis. For CH{sub 3}NH{sub 2}, T{sub rot} = 159 {+-} 30 K and N{sub tot} = (5.0 {+-} 0.9) Multiplication-Sign 10{sup 15} cm{sup -2}, indicating that this species is present in much warmer gas than CH{sub 2}NH. The fractional abundances for CH{sub 2}NH and CH{sub 3}NH{sub 2} were established to be f (H{sub 2}) Almost-Equal-To 3.0 Multiplication-Sign 10{sup -10} and f (H{sub 2}) Almost-Equal-To 1.7 Multiplication-Sign 10{sup -9}, respectively. It has been proposed that CH{sub 2}NH is formed on grains via hydrogenation of HCN; further hydrogenation of CH{sub 2}NH on surfaces leads to CH{sub 3}NH{sub 2}. However, given the dissimilarity between the rotational temperatures and distributions of CH{sub 2}NH and CH{sub 3}NH{sub 2} in Sgr B2, it is improbable that these species are closely related synthetically, at least in this source. Both CH{sub 2}NH and CH{sub 3}NH{sub 2} are more likely created by neutral-neutral processes in the gas phase.

  16. Insights into the respiratory tract microbiota of patients with cystic fibrosis during early Pseudomonas aeruginosa colonization

    SciTech Connect (OSTI)

    Keravec, Marlène; Mounier, Jérôme; Prestat, Emmanuel; Vallet, Sophie; Jansson, Janet K.; Burgaud, Gaëtan; Rosec, Sylvain; Gouriou, Stéphanie; Rault, Gilles; Coton, Emmanuel; Barbier, Georges; Héry-Arnaud, Geneviève

    2015-08-09

    Pseudomonas aeruginosa plays a major role in cystic fibrosis (CF) progression. Therefore, it is important to understand the initial steps of P. aeruginosa infection. The structure and dynamics of CF respiratory tract microbial communities during the early stages of P. aeruginosa colonization were characterized by pyrosequencing and cloning-sequencing. The respiratory microbiota showed high diversity, related to the young age of the CF cohort (mean age 10 years). Wide inter- and intra-individual variations were revealed. A common core microbiota of 5 phyla and 13 predominant genera was found, the majority of which were obligate anaerobes. A few genera were significantly more prevalent in patients never infected by P. aeruginosa. Persistence of an anaerobic core microbiota regardless of P. aeruginosa status suggests a major role of certain anaerobes in the pathophysiology of lung infections in CF. Some genera may be potential biomarkers of pulmonary infection state.

  17. New insights into low-temperature oxidation of propane from synchrotron photoionization mass spectrometry and multi-scale informatics modeling

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

    Welz, Oliver; Burke, Michael P.; Antonov, Ivan O.; Goldsmith, C. Franklin; Savee, John David; Osborn, David L.; Taatjes, Craig A.; Klippenstein, Stephen J.; Sheps, Leonid

    2015-04-10

    We studied low-temperature propane oxidation at P = 4 Torr and T = 530, 600, and 670 K by time-resolved multiplexed photoionization mass spectrometry (MPIMS), which probes the reactants, intermediates, and products with isomeric selectivity using tunable synchrotron vacuum UV ionizing radiation. The oxidation is initiated by pulsed laser photolysis of oxalyl chloride, (COCl)2, at 248 nm, which rapidly generates a ~1:1 mixture of 1-propyl (n-propyl) and 2-propyl (i-propyl) radicals via the fast Cl + propane reaction. At all three temperatures, the major stable product species is propene, formed in the propyl + O2 reactions by direct HO2 elimination frommore » both n- and i-propyl peroxy radicals. The experimentally derived propene yields relative to the initial concentration of Cl atoms are (20 ± 4)% at 530 K, (55 ± 11)% at 600 K, and (86 ± 17)% at 670 K at a reaction time of 20 ms. The lower yield of propene at low temperature reflects substantial formation of propyl peroxy radicals, which do not completely decompose on the experimental time scale. In addition, C3H6O isomers methyloxirane, oxetane, acetone, and propanal are detected as minor products. Our measured yields of oxetane and methyloxirane, which are coproducts of OH radicals, suggest a revision of the OH formation pathways in models of low-temperature propane oxidation. The experimental results are modeled and interpreted using a multiscale informatics approach, presented in detail in a separate publication (Burke, M. P.; Goldsmith, C. F.; Klippenstein, S. J.; Welz, O.; Huang H.; Antonov I. O.; Savee J. D.; Osborn D. L.; Zádor, J.; Taatjes, C. A.; Sheps, L. Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions. J. Phys. Chem A. 2015, DOI: 10.1021/acs.jpca.5b01003). Additionally, we found that the model predicts the time profiles and yields of the experimentally observed primary products well, and shows satisfactory agreement for products formed mostly via secondary radical–radical reactions.« less

  18. Crystal structure of human dynein light chain Dnlc2A: Structural insights into the interaction with IC74

    SciTech Connect (OSTI)

    Liu Junfeng; Wang Zhanxin; Wang Xinquan; Tang Qun; An Xiaomin; Gui Lulu; Liang Dongcai . E-mail: dcliang@sun5.ibp.ac.cn

    2006-10-27

    The human light chain of the motor protein dynein, Dnlc2A, is also a novel TGF-{beta}-signaling component, which is altered with high frequency in epithelial ovarian cancer. It is an important mediator of dynein and the development of cancer, owing to its ability to bind to the dynein intermediate light chain (DIC) IC74 and to regulate TGF-{beta}-dependent transcriptional events. Here we report the 2.1-A crystal structure of Dnlc2A using single anomalous diffraction. The proteins form a homodimer in solution and interact mainly through the helix {alpha}{sub 2}, strand {beta}{sub 3}, and the loop following this strand in each protein to generate a 10-stranded {beta}-sheet core. The surface of the {beta}-sheet core is mainly positively charged and predicted (by software PPI-Pred) to be the site that interacts with other partners. At the same time, the residues 79-82, 88, and 90 of each molecule formed two holes in the core. Residue 89 of each molecule, which is crucial for the DIC binding function of Dnlc2A, is within the holes. On the basis of these observations, we propose that the homodimer is the structural and functional unit maintained by hydrogen bonding interactions and hydrophobic packing, and that the patch of the surface of the {beta}-sheet core is the main area of interaction with other partners. Furthermore, the two holes would be the key sites to interact with IC74.

  19. Insight into trade-off between wood decay and parasitism from the genome of a fungal forest pathogen

    SciTech Connect (OSTI)

    Olson, Ake; Aerts, Andrea; Asiegbu, Fred; Belbahri, Lassaad; Bouzid, Ourdia; Broberg, Anders; Canback, Bjorn; Coutinho, Pedro M.; Cullen, Dan; Dalman, Kerstin; Deflorio, Giuliana; van Diepen, Linda T. A.; Dunand, Christophe; Duplessis, Sebastien; Durling, Mikael; Gonthier, Paolo; Grimwood, Jane; Fossdal, Carl Gunnar; Hansson, David; Henrissat, Bernard; Hietala, Ari; Himmelstrand, Kajsa; Hoffmeister, Dirk; Hogberg, Nils; James, Timothy Y.; Karlsson, Magnus; Kohler, Annegret; Lucas, Susan; Lunden, Karl; Morin, Emmanuelle; Murat, Claude; Park, Jongsun; Raffaello, Tommaso; Rouze, Pierre; Salamov, Asaf; Schmutz, Jeremy; Solheim, Halvor; Stahlberg, Jerry; Velez, Heriberto; de Vries, Ronald P.; Wiebenga, Ad; Woodward, Steve; Yakovlev, Igor; Garbelotto, Matteo; Martin, Francis; Grigoriev, Igor V.; Stenlid, Jan

    2012-01-01

    Parasitism and saprotrophic wood decay are two fungal strategies fundamental for succession and nutrient cycling in forest ecosystems. An opportunity to assess the trade-off between these strategies is provided by the forest pathogen and wood decayer Heterobasidion annosum sensu lato. We report the annotated genome sequence and transcript profiling, as well as the quantitative trait loci mapping, of one member of the species complex: H. irregulare. Quantitative trait loci critical for pathogenicity, and rich in transposable elements, orphan and secreted genes, were identified. A wide range of cellulose-degrading enzymes are expressed during wood decay. By contrast, pathogenic interaction between H. irregulare and pine engages fewer carbohydrate-active enzymes, but involves an increase in pectinolytic enzymes, transcription modules for oxidative stress and secondary metabolite production. Our results show a trade-off in terms of constrained carbohydrate decomposition and membrane transport capacity during interaction with living hosts. Our findings establish that saprotrophic wood decay and necrotrophic parasitism involve two distinct, yet overlapping, processes.

  20. Structural insight into dynamic bypass of the major cisplatin-DNA adduct by Y-family polymerase Dpo4

    SciTech Connect (OSTI)

    Wong, Jimson H.Y.; Brown, Jessica A.; Suo, Zucai; Blum, Paul; Nohmi, Takehiko; Ling, Hong

    2010-08-23

    Y-family DNA polymerases bypass Pt-GG, the cisplatin-DNA double-base lesion, contributing to the cisplatin resistance in tumour cells. To reveal the mechanism, we determined three structures of the Y-family DNA polymerase, Dpo4, in complex with Pt-GG DNA. The crystallographic snapshots show three stages of lesion bypass: the nucleotide insertions opposite the 3{prime}G (first insertion) and 5{prime}G (second insertion) of Pt-GG, and the primer extension beyond the lesion site. We observed a dynamic process, in which the lesion was converted from an open and angular conformation at the first insertion to a depressed and nearly parallel conformation at the subsequent reaction stages to fit into the active site of Dpo4. The DNA translocation-coupled conformational change may account for additional inhibition on the second insertion reaction. The structures illustrate that Pt-GG disturbs the replicating base pair in the active site, which reduces the catalytic efficiency and fidelity. The in vivo relevance of Dpo4-mediated Pt-GG bypass was addressed by a dpo-4 knockout strain of Sulfolobus solfataricus, which exhibits enhanced sensitivity to cisplatin and proteomic alterations consistent with genomic stress.

  1. China’s R&D for Energy Efficient Buildings: Insights for U.S. Cooperation with China

    SciTech Connect (OSTI)

    Yu, Sha; Evans, Meredydd

    2010-04-01

    This report includes an evaluation of China’s current activities and future direction in building energy efficiency R&D and its relevance to DOE’s R&D activities under the Building Technologies Program in the Office of Energy Efficiency and Renewable Energy. The researchers reviewed the major R&D programs in China including the so-called 973 Program, the 863 Program, and the Key Technology R&D Program1 as well as the research activities of major research institutes. The report also reviewed several relevant documents of the Chinese government, websites (including the International Energy Agency and national and local governments in China), newsletters, and financial information listed in the program documents and websites.

  2. Insights from modeling and observational evaluation of a precipitating continental cumulus event observed during the MC3E field campaign

    SciTech Connect (OSTI)

    Mechem, David B.; Giangrande, Scott E.; Wittman, Carly S.; Borque, Paloma; Toto, Tami; Kollias, Pavlos

    2015-03-13

    A case of shallow cumulus and precipitating cumulus congestus sampled at the Atmospheric Radiation Measurement (ARM) Program Southern Great Plains (SGP) supersite is analyzed using a multi-sensor observational approach and numerical simulation. Observations from a new radar suite surrounding the facility are used to characterize the evolving statistical behavior of the precipitating cloud system. This is accomplished using distributions of different measures of cloud geometry and precipitation properties. Large-eddy simulation (LES) with size-resolved (bin) microphysics is employed to determine the forcings most important in producing the salient aspects of the cloud system captured in the radar observations. Our emphasis is on assessing the importance of time-varying vs. steady-state large-scale forcing on the model's ability to reproduce the evolutionary behavior of the cloud system. Additional consideration is given to how the characteristic spatial scale and homogeneity of the forcing imposed on the simulation influences the evolution of cloud system properties. Results indicate that several new scanning radar estimates such as distributions of cloud top are useful to differentiate the value of time-varying (or at least temporally well-matched) forcing on LES solution fidelity.

  3. Relationship between ?-relaxation and structural stability of lysozyme: Microscopic insight on thermostabilization mechanism by trehalose from Raman spectroscopy experiments

    SciTech Connect (OSTI)

    Hdoux, Alain Paccou, Laurent; Guinet, Yannick

    2014-06-14

    Raman investigations were carried out in the low-frequency and amide I regions on lysozyme aqueous solutions in absence and presence of trehalose. Raman spectroscopy gives the unique opportunity to analyze the protein and solvent dynamics in the low-frequency range while monitoring the unfolding process by capturing the spectrum of the amide I band. From the analysis of the quasielastic intensity, a dynamic change is firstly observed in a highly hydrated protein, around 70?C, and interpreted in relation with the denaturation mechanism of the protein. The use of heavy water and partly deuterated trehalose gives clear information on proteintrehalose interactions in the native state of lysozyme (at room temperature) and during the thermal denaturation process of lysozyme. At room temperature, it was found that trehalose is preferentially excluded from the protein surface, and has a main effect on the tetrahedral local order of water molecules corresponding to a stiffening of the H-bond network in the solvent. The consequence is a significant reduction of the amplitude of fast relaxational motions, inducing a less marked dynamic transition shifted toward the high temperatures. Upon heating, interaction between trehalose and lysozyme is detected during the solvent penetration within the protein, i.e., while the native globular state softens into a molten globule (MG) state. Addition of trehalose reduces the protein flexibility in the MG state, improving the structural stability of the protein, and inhibiting the protein aggregation.

  4. Efficacy of low level electric current (A-C) for controlling quagga mussles in the Welland Canal

    SciTech Connect (OSTI)

    Fears, C.; Mackie, G.L.

    1995-06-01

    The efficacy of systems (for which patents are pending) which use low-voltage A-C currents for preventing settlement and attachment by zebra mussels were tested with steel rods and plates placed near the intake of a pulp and paper plant in the Welland Canal at Thorold, Ontario. Six racks made of 16 ft. (4.9 m), 2x4s (5.1 x 10.2 cm) were placed into the Welland Canal on August 5, 1994. One rack had 1/8th in (3.2 mm) diam x 12 in (30.5 cm) long steel rods, each separated by 2 in (5.1 cm) attached to pressure treated wood and concrete blocks and an A-C current of 16 v (or 8 v/in); rack 2 had steel rods of the same configuration but 12 v (or 6 v/in) was applied; rack 3 was identical to these but no current was applied and was used as a rod control. The remaining three racks had steel plates, each plate being 3 in (7.6 cm) wide X 24 in (61 cm) long X 1/4 in (6.4 mm) thick and separated by 2 in (5.1 cm); one had 12 v applied (or 6 v/in), another had 16 v applied (or 8 v/in), and the third had no current and was used as a plate control. The racks were placed on the upstream and downstream side of the intake at a depth of about 7 ft (2.1 m) where the mussels populations were heaviest (as determined by SCUBA diving). All mussels were quagga mussels (Dreissena bugensis). The racks were pulled in mid November after settlement was complete and the results showed: (1) complete prevention of settlement of both new recruits and translocators at 8 volts/in with steel rods on both wood and concrete surfaces and with steel plate trash bars; (2) partial prevention of settlement at 6 volts/in with steel rods on both wood and concrete surfaces and steel plates; and (3) that, at current kilowatt hr rates, total efficacy at 8 volts/in would cost approximately $10.80/day/1000 sq ft using rods to protect concrete walls and about $16.32/day/1000 sq ft to protect 3 in wide x 1/4 in thick trash bars. These costs can be reduced even further with pulse dosed AC currents.

  5. Science as Art: Materials Characterization Art | GE Global Research

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

    Science as Art: Materials Characterization Art Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) Science as Art: Materials Characterization Art Vin Smentkowski 2012.05.08 Our next image in the series was submitted by Srinivasan Swarminathan. This is one of the more compelling and interesting photos to look at it if you

  6. Robotic Crawler | GE Global Research

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

    Crawler Inspects Wind Turbines Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) Robotic Crawler Inspects Wind Turbines See the robotic crawler that can inspect wind turbines and climb vertical turbine poles as high as 300 feet. You Might Also Like Vin_Smentlowski_AVS_Registration AVS 61st International Symposium and

  7. AVS International Symposium | GE Global Research

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

    AVS 61st International Symposium and Exhibition Focuses on Materials, Surfaces and Interfaces Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) AVS 61st International Symposium and Exhibition Focuses on Materials, Surfaces and Interfaces Vin Smentkowski 2014.12.05 After more than two years of planning, it is hard to

  8. How Are Atoms Held Together? | GE Global Research

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

    Are Atoms Held Together? Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) How Are Atoms Held Together? 2012.03.30 Chief Scientist Jim Bray discusses positive and negative charges and their role in keeping matter stable. 0 Comments Comment Name Email Submit Comment You Might Also Like Vin_Smentlowski_AVS_Registration AVS

  9. Denaturing of Molecules | GE Global Research

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

    Do Molecules Get Old? Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) Do Molecules Get Old? 2012.07.03 Chief Scientist Jim Bray explains how molecules degrade over various time periods, not unlike human aging. 0 Comments Comment Name Email Submit Comment You Might Also Like Vin_Smentlowski_AVS_Registration AVS 61st

  10. Mechanistic insight into peroxydisulfate reactivity: Oxidation of the cis,cis-[Ru(bpy)2(OH2)]2O4+ "Blue Dimmer"

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

    Hurst, James K.; Roemeling, Margo D.; Lymar, Sergei V.

    2015-04-10

    One-electron oxidation of the μ-oxo dimer (cis,cis-[RuIII(bpy)2(OH2)]2O4+, {3,3}) to {3,4} by S2O82- can be described by three concurrent reaction pathways corresponding to the three protic forms of {3,3}. Free energy correlations of the rate constants, transient species dynamics determined by pulse radiolysis, and medium and temperature dependencies of the alkaline pathway all suggest that the rate determining step in these reactions is a strongly non-adiabatic dissociative electron transfer within a precursor ion pair leading to the {3,4}|SO42-|SO4•- ion triple. As deduced from the SO4•- scavenging experiments with 2-propanol, the SO4•- radical then either oxidizes {3,4} to {4,4} within the ionmore » triple, effecting a net two-electron oxidation of {3,3}, or escapes in solution with ~25 % probability to react with additional {3,3} and {3,4}, that is, effecting sequential one-electron oxidations. The reaction model presented also invokes rapid {3,3} + {4,4} → 2{3,4} comproportionation, for which kcom ~5×107 M-1 s-1 was independently measured. The model provides an explanation for the observation that despite favorable energetics, no oxidation beyond the {3,4} state was detected. As a result, the indiscriminate nature of oxidation by SO4•- indicates that its fate must be quantitatively determined when using S2O82- as an oxidant« less

  11. Tailoring characteristic thermal stability of Ni-Au binary nanocrystals via structure and composition engineering: theoretical insights into structural evolution and atomic inter-diffusion

    SciTech Connect (OSTI)

    Li, Bangquan; Wang, Hailong; Xing, Guozhong; Wang, Rongming E-mail: rmwang@ustb.edu.cn

    2014-11-15

    We report on the structural evolution and atomic inter-diffusion characteristics of the bimetallic Ni-Au nanocrystals (NCs) by molecular dynamics simulations studies. Our results reveal that the thermal stability dynamics of Ni-Au NCs strongly depends on the atomic configurations. By engineering the structural construction with Ni:Au = 1:1 atomic composition, compared with core-shell Au@Ni and alloy NCs, the melting point of core-shell Ni@Au NCs is significantly enhanced up to 1215 K. Unexpectedly, with atomic ratio of Au:Ni= 1:9, the melting process initiates from the atoms in the shell of Ni@Au and alloy NCs, while starts from the core of Au@Ni NCs. The corresponding features and evolution process of structural motifs, mixing and segregation are illustrated via a series of dynamic simulations videos. Moreover, our results revealed that the face centered cubic phase Au{sub 0.75}Ni{sub 0.25} favorably stabilizes in NCs form but does not exist in the bulk counterpart, which elucidates the anomalies of previously reported experimental results on such bimetallic NCs.

  12. Do Ag{sub n} (up to n = 8) clusters retain their identity on graphite? Insights from first-principles calculations including dispersion interactions

    SciTech Connect (OSTI)

    Singh, Akansha; Sen, Prasenjit; Majumder, Chiranjib

    2014-04-28

    Adsorption of pre-formed Ag{sub n} clusters for n = 1 ? 8 on a graphite substrate is studied within the density functional theory employing the vdW-DF2 functional to treat dispersion interactions. Top sites above surface layer carbon atoms turn out to be most favorable for a Ag adatom, in agreement with experimental observations. The same feature is observed for clusters of almost all sizes which have the lowest energies when the Ag atoms are positioned over top sites. Most gas phase isomers retain their structures over the substrate, though a couple of them undergo significant distortions. Energetics of the adsorption can be understood in terms of a competition between energy cost of disturbing AgAg bonds in the cluster and energy gain from AgC interactions at the surface. Ag{sub 3} turns out to be an exceptional candidate in this regard that undergoes significant structural distortion and has only two of the Ag atoms close to surface C atoms in its lowest energy structure.

  13. Comparative proteomic analysis of Desulfotomaculum reducens MI-1: Insights into the metabolic versatility of a gram-positive sulfate- and metal-reducing bacterium

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

    Otwell, Anne E.; Callister, Stephen J.; Zink, Erika M.; Smith, Richard D.; Richardson, Ruth E.

    2016-02-19

    In this study, the proteomes of the metabolically versatile and poorly characterized Gram-positive bacterium Desulfotomaculum reducens MI-1 were compared across four cultivation conditions including sulfate reduction, soluble Fe(III) reduction, insoluble Fe(III) reduction, and pyruvate fermentation. Collectively across conditions, we observed at high confidence ~38% of genome-encoded proteins. Here, we focus on proteins that display significant differential abundance on conditions tested. To the best of our knowledge, this is the first full-proteome study focused on a Gram-positive organism cultivated either on sulfate or metal-reducing conditions. Several proteins with uncharacterized function encoded within heterodisulfide reductase (hdr)-containing loci were upregulated on either sulfatemore » (Dred_0633-4, Dred_0689-90, and Dred_1325-30) or Fe(III)-citrate-reducing conditions (Dred_0432-3 and Dred_1778-84). Two of these hdr-containing loci display homology to recently described flavin-based electron bifurcation (FBEB) pathways (Dred_1325-30 and Dred_1778-84). Additionally, we propose that a cluster of proteins, which is homologous to a described FBEB lactate dehydrogenase (LDH) complex, is performing lactate oxidation in D. reducens (Dred_0367-9). Analysis of the putative sulfate reduction machinery in D. reducens revealed that most of these proteins are constitutively expressed across cultivation conditions tested. In addition, peptides from the single multiheme c-type cytochrome (MHC) in the genome were exclusively observed on the insoluble Fe(III) condition, suggesting that this MHC may play a role in reduction of insoluble metals.« less

  14. Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe(CO)5 to Fe(CO)4EtOH

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

    Kunnus, K.; Josefsson, I.; Rajkovic, I.; Schreck, S.; Quevedo, W.; Beye, M.; Weniger, C.; Grübel, S.; Scholz, M.; Nordlund, D.; et al

    2016-02-09

    We utilized femtosecond time-resolved resonant inelastic X-ray scattering and ab initio theory to study the transient electronic structure and the photoinduced molecular dynamics of a model metal carbonyl photocatalyst Fe(CO)5 in ethanol solution. We propose mechanistic explanation for the parallel ultrafast intra-molecular spin crossover and ligation of the Fe(CO)4 which are observed following a charge transfer photoexcitation of Fe(CO)5 as reported in our previous study [Wernet et al., Nature 520, 78 (2015)]. We find that branching of the reaction pathway likely happens in the 1A1 state of Fe(CO)4. A sub-picosecond time constant of the spin crossover from 1B2 tomore » 3B2 is rationalized by the proposed 1B2 → 1A1 → 3B2 mechanism. Ultrafast ligation of the 1B2 Fe(CO)4 state is significantly faster than the spin-forbidden and diffusion limited ligation process occurring from the 3B2 Fe(CO)4 ground state that has been observed in the previous studies. We propose that the ultrafast ligation occurs via 1B2 → 1A1 → 1A' Fe(CO)4EtOH pathway and the time scale of the 1A1 Fe(CO)4 state ligation is governed by the solute-solvent collision frequency. In conclusion, our study emphasizes the importance of understanding the interaction of molecular excited states with the surrounding environment to explain the relaxation pathways of photoexcited metal carbonyls in solution.« less

  15. Insights into the effect of dilute acid, hot water and alkaline pretreatment on cellulose accessible surface area and overall porosity of Populus

    SciTech Connect (OSTI)

    Meng, Xianzhi; Wells, Tyrone; Sun, Qining; Huang, Fang; Ragauskas, Arthur J.

    2015-06-19

    Pretreatment is known to render biomass more reactive to cellulase by altering the chemical compositions as well as physical structures of biomass. Simons stain technique along with mercury porosimetry were applied on the acid, neutral, and alkaline pretreated materials to measure the accessible surface area of cellulose and pore size distribution of Populus. Results indicated that acid pretreatment is much more effective than water and alkaline pretreatment in terms of cellulose accessibility increase. Further investigation suggests that lignin does not dictate cellulose accessibility to the extent that hemicellulose does, but it does restrict xylan accessibility which in turn controls the access of cellulase to cellulose. The most interesting finding is that severe acid pretreatment significantly decreases the average pore size, i.e., 90% average size decrease could be observed after 60 min dilute acid pretreatment at 160 oC; however, the nano-pore space formed between coated microfibrils is increased after pretreatment, especially for the acid pretreatment, suggesting this particular type of biomass porosity is probably the most fundamental barrier to effective enzymatic hydrolysis.

  16. Elevated CO2 increases tree-level intrinsic water use efficiency: insights from carbon and oxygen isotope analyses in tree rings across three forest FACE sites

    SciTech Connect (OSTI)

    Battipaglia, Giovanna [Second University of Naples; Saurer, Matthias [Paul Scherrer Institut, Villigen, Switzerland; Cherubini, Paulo [WSL Swiss Federal Institute for Forest, Snow and Landscape Research; Califapietra, Carlo [University of Tuscia; McCarthy, Heather R [Duke University; Norby, Richard J [ORNL; Cotrufo, M. Francesca [Colorado State University, Fort Collins

    2013-01-01

    Elevated CO2 increases intrinsic water use efficiency (WUEi) of forests, but the magnitude of this effect and its interaction with climate is still poorly understood. We combined tree ring analysis with isotope measurements at three Free Air CO2 Enrichment (FACE, POP-EUROFACE, in Italy; Duke FACE in North Carolina and ORNL in Tennessee, USA) sites, to cover the entire life of the trees. We used 13C to assess carbon isotope discrimination ( 13C ci/ca) and changes in WUEi, while direct CO2 effects on stomatal conductance were explored using 18O as a proxy. Across all the sites, elevated CO2 increased 13C-derived WUEi on average by 73% for Liquidambar styraciflua, 77% for Pinus taeda and 75% for Populus sp., but through different ecophysiological mechanisms. Our findings provide a robust means of predicting WUEi responses from a variety of tree species exposed to variable environmental conditions over time, and species-specific relationships that can help modeling elevated CO2 and climate impacts on forest productivity, carbon and water balances.

  17. Structural Insight on the Mechanism of Regulation of the MarR Family of Proteins: High-Resolution Crystal Structure of a Transcriptional Repressor from Methanobacterium thermoautotrophicum

    SciTech Connect (OSTI)

    Saridakis, Vivian; Shahinas, Dea; Xu, Xiaohui; Christendat, Dinesh

    2008-03-31

    Transcriptional regulators belonging to the MarR family are characterized by a winged-helix DNA binding domain. These transcriptional regulators regulate the efflux and influx of phenolic agents in bacteria and archaea. In Escherichia coli, MarR regulates the multiple antibiotic resistance operon and its inactivation produces a multiple antibiotic resistance phenotype. In some organisms, active efflux of drug compounds will produce a drug resistance phenotype, whereas in other organisms, active influx of chlorinated hydrocarbons results in their rapid degradation. Although proteins in the MarR family are regulators of important biological processes, their mechanism of action is not well understood and structural information about how phenolic agents regulate the activity of these proteins is lacking. This article presents the three-dimensional structure of a protein of the MarR family, MTH313, in its apo form and in complex with salicylate, a known inactivator. A comparison of these two structures indicates that the mechanism of regulation involves a large conformational change in the DNA binding lobe. Electrophoretic mobility shift assay and biophysical analyses further suggest that salicylate inactivates MTH313 and prevents it from binding to its promoter region.

  18. Insight into the Atomic Structure of High-Voltage Spinel LiNi0.5Mn1.5O4 Cathode Material in the First Cycle

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

    Huang, Xuejie; Yu, Xiqian; Lin, Mingxiang; Ben, Liubin; Sun, Yang; Wang, Hao; Yang, Zhenzhong; Gu, Lin; Yang, Xiao -Qing; Zhao, Haofei; et al

    2014-12-22

    Application of high-voltage spinel LiNi0.5Mn1.5O4 cathode material is the closest and the most realistic approach to meeting the midterm goal of lithium-ion batteries for electric vehicles (EVs) and plug-in hybrid electric vehicles (HEVs). However, this application has been hampered by long-standing issues, such as capacity degradation and poor first-cycle Coulombic efficiency of LiNi0.5Mn1.5O4 cathode material. Although it is well-known that the structure of LiNi0.5Mn1.5O4 into which Li ions are reversibly intercalated plays a critical role in the above issues, performance degradation related to structural changes, particularly in the first cycle, are not fully understood. Here, we report detailed investigations ofmore » local atomic-level and average structure of LiNi0.5Mn1.5O4 during first cycle (3.5–4.9 V) at room temperature. We observed two types of local atomic-level migration of transition metals (TM) ions in the cathode of a well-prepared LiNi0.5Mn1.5O4//Li half-cell during first charge via an aberration-corrected scanning transmission electron microscopy (STEM). Surface regions (~2 nm) of the cycled LiNi0.5Mn1.5O4 particles show migration of TM ions into tetrahedral Li sites to form a Mn3O4-like structure. However, subsurface regions of the cycled particles exhibit migration of TM ions into empty octahedral sites to form a rocksalt-like structure. The migration of these TM ions are closely related to dissolution of Ni/Mn ions and building-up of charge transfer impedance, which contribute significantly to the capacity degradation and the poor first-cycle Coulombic efficiency of spinel LiNi0.5Mn1.5O4 cathode material. Accordingly, we provide suggestions of effective stabilization of LiNi0.5Mn1.5O4 structure to obtain better electrochemical performance.« less

  19. Synthesis of 1 nm Pd Nanoparticles in a Microfluidic Reactor: Insights from in Situ X ray Absorption Fine Structure Spectroscopy and Small-Angle X ray Scattering

    SciTech Connect (OSTI)

    Karim, Ayman M.; Al Hasan, Naila M.; Ivanov, Sergei A.; Siefert, Soenke; Kelly, Ryan T.; Hallfors, Nicholas G.; Benavidez, Angelica D.; Kovarik, Libor; Jenkins, Aaron; Winans, R. E.; Datye, Abhaya K.

    2015-06-11

    In this paper we show that the temporal separation of nucleation and growth is not a necessary condition for the colloidal synthesis of monodisperse nanoparticles. The synthesis mechanism of Pd nanoparticles was determined by in situ XAFS and SAXS in a microfluidic reactor capable of millisecond up to an hour time resolution. The SAXS results showed two autocatalytic growth phases, a fast growth phase followed by a very slow growth phase. The steady increase in the number of particles throughout the two growth phases indicates the synthesis is limited by slow continuous nucleation. The transition from fast to slow growth was caused by rapid increase in bonding with the capping agent as shown by XAFS. Based on this fundamental understanding of the synthesis mechanism, we show that 1 nm monodisperse Pd nanoparticles can be synthesized at low temperature using a strong binding capping agent such as trioctylphosphine (TOP).

  20. Toward a comprehensive model for feedback by active galactic nuclei: New insights from M87 observations by LOFAR, Fermi, and H.E.S.S

    SciTech Connect (OSTI)

    Pfrommer, Christoph

    2013-12-10

    Feedback by active galactic nuclei (AGNs) appears to be critical in balancing radiative cooling of the low-entropy gas at the centers of galaxy clusters and in mitigating the star formation of elliptical galaxies. New observations of M87 enable us to put forward a comprehensive model for the physical heating mechanism. Low-frequency radio observations by LOFAR revealed the absence of fossil cosmic-ray (CR) electrons in the radio halo surrounding M87. This puzzle can be resolved by accounting for the CR release from the radio lobes and the subsequent mixing of CRs with the dense ambient intracluster gas, which thermalizes the electrons on a timescale similar to the radio halo age of 40 Myr. Hadronic interactions of similarly injected CR protons with the ambient gas should produce an observable gamma-ray signal in accordance with the steady emission of the low state of M87 detected by Fermi and H.E.S.S. Hence, we normalize the CR population to the gamma-ray emission, which shows the same spectral slope as the CR injection spectrum probed by LOFAR, thereby supporting a common origin. We show that CRs, which stream at the Alfvn velocity with respect to the plasma rest frame, heat the surrounding thermal plasma at a rate that balances that of radiative cooling on average at each radius. However, the resulting global thermal equilibrium is locally unstable and allows for the formation of the observed cooling multi-phase medium through thermal instability. Provided that CR heating balances cooling during the emerging 'cooling flow', the collapse of the majority of the gas is halted around 1 keVin accordance with X-ray data. We show that both the existence of a temperature floor and the similar radial scaling of the heating and cooling rates are generic predictions of the CR heating model.

  1. The structure of Medicago truncatula ?1-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants

    SciTech Connect (OSTI)

    Ruszkowski, Milosz; Nocek, Boguslaw; Forlani, Giuseppe; Dauter, Zbigniew

    2015-10-30

    The two pathways for proline biosynthesis in higher plants share the last step, the conversion of ?1-pyrroline-5-carboxylate (P5C) to L-proline, which is catalyzed by P5C reductase (P5CR, EC 1.5.1.2) with the use of NAD(P)H as a coenzyme. There is increasing amount of evidence to suggest a complex regulation of P5CR activity at the post-translational level, yet the molecular basis of these mechanisms is unknown. Here we report the three-dimensional structure of the P5CR enzyme from the model legume Medicago truncatula (Mt). The crystal structures of unliganded MtP5CR decamer, and its complexes with the products NAD+, NADP+, and L-proline were refined using x-ray diffraction data (at 1.7, 1.85, 1.95, and 2.1 resolution, respectively). Based on the presented structural data, the coenzyme preference for NADPH over NADH was explained, and NADPH is suggested to be the only coenzyme used by MtP5CR in vivo. Moreover, the insensitivity of MtP5CR to feed-back inhibition by proline, revealed by enzymatic analysis, was correlated with structural features. Additionally, a mechanism for the modulation of enzyme activity by chloride anions is discussed, as well as the rationale for the possible development of effective enzyme inhibitors.

  2. Structural Insights into Membrane Targeting by the Flagellar Calcium-binding Protein (FCaBP) a Myristoylated and Palmitoylated Calcium Sensor in Trypanosoma cruzi

    SciTech Connect (OSTI)

    J Wingard; J Ladner; M Vanarotti; A Fisher; H Robinson; K Buchanan; D Engman; J Ames

    2011-12-31

    The flagellar calcium-binding protein (FCaBP) of the protozoan Trypanosoma cruzi is targeted to the flagellar membrane where it regulates flagellar function and assembly. As a first step toward understanding the Ca{sup 2+}-induced conformational changes important for membrane-targeting, we report here the x-ray crystal structure of FCaBP in the Ca{sup 2+}-free state determined at 2.2{angstrom} resolution. The first 17 residues from the N terminus appear unstructured and solvent-exposed. Residues implicated in membrane targeting (Lys-19, Lys-22, and Lys-25) are flanked by an exposed N-terminal helix (residues 26-37), forming a patch of positive charge on the protein surface that may interact electrostatically with flagellar membrane targets. The four EF-hands in FCaBP each adopt a 'closed conformation' similar to that seen in Ca{sup 2+}-free calmodulin. The overall fold of FCaBP is closest to that of grancalcin and other members of the penta EF-hand superfamily. Unlike the dimeric penta EF-hand proteins, FCaBP lacks a fifth EF-hand and is monomeric. The unstructured N-terminal region of FCaBP suggests that its covalently attached myristoyl group at the N terminus may be solvent-exposed, in contrast to the highly sequestered myristoyl group seen in recoverin and GCAP1. NMR analysis demonstrates that the myristoyl group attached to FCaBP is indeed solvent-exposed in both the Ca{sup 2+}-free and Ca{sup 2+}-bound states, and myristoylation has no effect on protein structure and folding stability. We propose that exposed acyl groups at the N terminus may anchor FCaBP to the flagellar membrane and that Ca{sup 2+}-induced conformational changes may control its binding to membrane-bound protein targets..

  3. Interactions of a potent cyclic peptide inhibitor with the light chain of botulinum neurotoxin A: insights from x-ray crystallography

    SciTech Connect (OSTI)

    Kumaran, D.; Adler, M.; Levit, M.; Krebs, M.; Sweeney, R.; Swaminathan, S.

    2015-10-17

    The seven antigenically distinct serotypes (A to G) of botulinum neurotoxin (BoNT) are responsible for the deadly disease botulism. BoNT serotype A (BoNT/A) exerts its lethal action by cleaving the SNARE protein SNAP-25, leading to inhibition of neurotransmitter release, flaccid paralysis and autonomic dysfunction. BoNTs are dichain proteins: the heavy chain is responsible for neurospecific binding, internalization and translocation, and the light chain is responsible for substrate cleavage. Because of their extreme toxicity and prior history of weaponization, the BoNTs are considered to be potential bioterrorism agents. No post-symptomatic therapeutic interventions are available for BoNT intoxication other than critical care; therefore it is imperative to develop specific antidotes against this neurotoxin. To this end, a cyclic peptide inhibitor (CPI-1) was synthesized and found to inhibit BoNT/A light chain (Balc) with high affinity. When tested in a cell-free Frster resonance excitation transfer (FRET) assay, CPI-1 was found to have a Ki of 13.9 nM using full-length Balc448 and 42.1 nM using a truncated crystallizable form of light chain (Balc424). Co-crystallization of CPI-1 with Balc424 revealed that in the Balc-CPI-1 complex, the inhibitor adopts a helical conformation, occupies a high percentage of the active site cavity and interacts in an amphipathic manner with critical active site residues. The data suggest that CPI-1 prevents SNAP-25 from accessing the Balc active site by blocking both the substrate binding path at the surface and the Zn2+ binding region involved in catalysis. This is in contrast to linear peptide inhibitors described to date which block only the latter

  4. New insights to the role of aryl hydrocarbon receptor in bone phenotype and in dioxin-induced modulation of bone microarchitecture and material properties

    SciTech Connect (OSTI)

    Herlin, Maria; Finnil, Mikko A.J.; Zioupos, Peter; Aula, Antti; Risteli, Juha; Miettinen, Hanna M.; Jms, Timo; Tuukkanen, Juha; Korkalainen, Merja; Hkansson, Helen; Viluksela, Matti

    2013-11-15

    Bone is a target for high affinity aryl hydrocarbon receptor (AHR) ligands, such as dioxins. Although bone morphology, mineral density and strength are sensitive endpoints of dioxin toxicity, less is known about effects on bone microarchitecture and material properties. This study characterizes TCDD-induced modulations of bone tissue, and the role of AHR in dioxin-induced bone toxicity and for normal bone phenotype. Six AHR-knockout (Ahr{sup ?/?}) and wild-type (Ahr{sup +/+}) mice of both genders were exposed to TCDD weekly for 10 weeks, at a total dose of 200 ?g/kg bw. Bones were examined with micro-computed tomography, nanoindentation and biomechanical testing. Serum levels of bone remodeling markers were analyzed, and the expression of genes related to osteogenic differentiation was profiled using PCR array. In Ahr{sup +/+} mice, TCDD-exposure resulted in harder bone matrix, thinner and more porous cortical bone, and a more compact trabecular bone compartment. Bone remodeling markers and altered expression of a number of osteogenesis related genes indicated imbalanced bone remodeling. Untreated Ahr{sup ?/?} mice displayed a slightly modified bone phenotype as compared with untreated Ahr{sup +/+} mice, while TCDD exposure caused only a few changes in bones of Ahr{sup ?/?} mice. Part of the effects of both TCDD-exposure and AHR-deficiency were gender dependent. In conclusion, exposure of adult mice to TCDD resulted in harder bone matrix, thinner cortical bone, mechanically weaker bones and most notably, increased trabecular bone volume fraction in Ahr{sup +/+} mice. AHR is involved in bone development of a normal bone phenotype, and is crucial for manifestation of TCDD-induced bone alterations. - Highlights: TCDD disrupts bone remodeling resulting in altered cortical and trabecular bone. In trabecular bone an anabolic effect is observed. Cortical bone is thinner, more porous, harder, stiffer and mechanically weaker. AHR ablation results in increased trabecular bone and softer cortical bone. TCDD does not affect the bones of Ahr{sup /} mice.

  5. DUST AND GAS IN THE MAGELLANIC CLOUDS FROM THE HERITAGE HERSCHEL KEY PROJECT. I. DUST PROPERTIES AND INSIGHTS INTO THE ORIGIN OF THE SUBMILLIMETER EXCESS EMISSION

    SciTech Connect (OSTI)

    Gordon, Karl D.; Roman-Duval, Julia; Meixner, Margaret; Bot, Caroline; Babler, Brian; Bernard, Jean-Philippe; Bolatto, Alberto; Jameson, Katherine; Boyer, Martha L.; Clayton, Geoffrey C.; Engelbracht, Charles; Fukui, Yasuo; Galametz, Maud; Galliano, Frederic; Hony, Sacha; Lebouteiller, Vianney; Indebetouw, Remy; Israel, Frank P.; Kawamura, Akiko; and others

    2014-12-20

    The dust properties in the Large and Small Magellanic clouds (LMC/SMC) are studied using the HERITAGE Herschel Key Project photometric data in five bands from 100 to 500?m. Three simple models of dust emission were fit to the observations: a single temperature blackbody modified by a power-law emissivity (SMBB), a single temperature blackbody modified by a broken power-law emissivity (BEMBB), and two blackbodies with different temperatures, both modified by the same power-law emissivity (TTMBB). Using these models, we investigate the origin of the submillimeter excess, defined as the submillimeter emission above that expected from SMBB models fit to observations <200 ?m. We find that the BEMBB model produces the lowest fit residuals with pixel-averaged 500?m submillimeter excesses of 27% and 43% for the LMC and SMC, respectively. Adopting gas masses from previous works, the gas-to-dust ratios calculated from our fitting results show that the TTMBB fits require significantly more dust than are available even if all the metals present in the interstellar medium (ISM) were condensed into dust. This indicates that the submillimeter excess is more likely to be due to emissivity variations than a second population of colder dust. We derive integrated dust masses of (7.3 1.7) 10{sup 5} and (8.3 2.1) 10{sup 4} M {sub ?} for the LMC and SMC, respectively. We find significant correlations between the submillimeter excess and other dust properties; further work is needed to determine the relative contributions of fitting noise and ISM physics to the correlations.

  6. Developing 226Ra and 227Ac age-dating techniques for nuclear forensics to gain insight from concordant and non-concordant radiochronometers

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

    Kayzar, Theresa M.; Williams, Ross W.

    2015-09-26

    The model age or ‘date of purification’ of a nuclear material is an important nuclear forensic signature. In this study, chemical separation and MC-ICP-MS measurement techniques were developed for 226 Ra and 227Ac: grand-daughter nuclides in the 238U and 235U decay chains respectively. The 230Th-234U, 226Ra-238U, 231Pa-235U, and 227Ac-235U radiochronometers were used to calculate model ages for CRM-U100 standard reference material and two highly-enriched pieces of uranium metal from the International Technical Working Group Round Robin 3 Exercise. In conclusion, the results demonstrate the accuracy of the 226Ra-238U and 227Ac-235U chronometers and provide information about nuclide migration during uranium processing.

  7. Interactions of a potent cyclic peptide inhibitor with the light chain of botulinum neurotoxin A: insights from x-ray crystallography

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

    Kumaran, D.; Adler, M.; Levit, M.; Krebs, M.; Sweeney, R.; Swaminathan, S.

    2015-10-17

    The seven antigenically distinct serotypes (A to G) of botulinum neurotoxin (BoNT) are responsible for the deadly disease botulism. BoNT serotype A (BoNT/A) exerts its lethal action by cleaving the SNARE protein SNAP-25, leading to inhibition of neurotransmitter release, flaccid paralysis and autonomic dysfunction. BoNTs are dichain proteins: the heavy chain is responsible for neurospecific binding, internalization and translocation, and the light chain is responsible for substrate cleavage. Because of their extreme toxicity and prior history of weaponization, the BoNTs are considered to be potential bioterrorism agents. No post-symptomatic therapeutic interventions are available for BoNT intoxication other than critical care;more » therefore it is imperative to develop specific antidotes against this neurotoxin. To this end, a cyclic peptide inhibitor (CPI-1) was synthesized and found to inhibit BoNT/A light chain (Balc) with high affinity. When tested in a cell-free Förster resonance excitation transfer (FRET) assay, CPI-1 was found to have a Ki of 13.9 nM using full-length Balc448 and 42.1 nM using a truncated crystallizable form of light chain (Balc424). Co-crystallization of CPI-1 with Balc424 revealed that in the Balc-CPI-1 complex, the inhibitor adopts a helical conformation, occupies a high percentage of the active site cavity and interacts in an amphipathic manner with critical active site residues. The data suggest that CPI-1 prevents SNAP-25 from accessing the Balc active site by blocking both the substrate binding path at the surface and the Zn2+ binding region involved in catalysis. This is in contrast to linear peptide inhibitors described to date which block only the latter« less

  8. Insights on the binding of thioflavin derivative markers to amyloid fibril models and A?{sub 1-40} fibrils from computational approaches

    SciTech Connect (OSTI)

    Al-Torres, Jorge; Rimola, Albert; Sodupe, Mariona; Rodriguez-Rodrguez, Cristina

    2014-10-06

    The present contribution analyzes the binding of ThT and neutral ThT derivatives to a ?-sheet model by means of quantum chemical calculations. In addition, we study the properties of four molecules: (2-(2-hydroxyphenyl)benzoxazole (HBX), 2-(2-hydroxyphenyl)benzothiazole (HBT) and their respective iodinated compounds, HBXI and HBTI, in binding to amyloid fibril models and A?{sub 1-40}fibrils by using a combination of docking, molecular dynamics and quantum mechanics calculations.

  9. Insights into the effect of dilute acid, hot water and alkaline pretreatment on cellulose accessible surface area and overall porosity of Populus

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

    Meng, Xianzhi; Wells, Tyrone; Sun, Qining; Huang, Fang; Ragauskas, Arthur J.

    2015-06-19

    Pretreatment is known to render biomass more reactive to cellulase by altering the chemical compositions as well as physical structures of biomass. Simons stain technique along with mercury porosimetry were applied on the acid, neutral, and alkaline pretreated materials to measure the accessible surface area of cellulose and pore size distribution of Populus. Results indicated that acid pretreatment is much more effective than water and alkaline pretreatment in terms of cellulose accessibility increase. Further investigation suggests that lignin does not dictate cellulose accessibility to the extent that hemicellulose does, but it does restrict xylan accessibility which in turn controls themore » access of cellulase to cellulose. The most interesting finding is that severe acid pretreatment significantly decreases the average pore size, i.e., 90% average size decrease could be observed after 60 min dilute acid pretreatment at 160 °C; moreover, the nano-pore space formed between coated microfibrils is increased after pretreatment, especially for the acid pretreatment, suggesting this particular type of biomass porosity is probably the most fundamental barrier to effective enzymatic hydrolysis.« less

  10. Building America Technology Solutions for New and Existing Homes: New Insights for Improving the Designs of Flexible Duct Junction Boxes (Fact Sheet)

    Broader source: Energy.gov [DOE]

    IBACOS explored the relationships between pressure and physical configurations of flexible duct junction boxes by using computational fluid dynamics simulations to predict individual box parameters and total system pressure, thereby ensuring improved HVAC performance.

  11. Permanent polarization and charge distribution in organic light-emitting diodes (OLEDs): Insights from near-infrared charge-modulation spectroscopy of an operating OLED

    SciTech Connect (OSTI)

    Marchetti, Alfred P.; Haskins, Terri L.; Young, Ralph H.; Rothberg, Lewis J.

    2014-03-21

    Vapor-deposited Alq{sub 3} layers typically possess a strong permanent electrical polarization, whereas NPB layers do not. (Alq{sub 3} is tris(8-quinolinolato)aluminum(III); NPB is 4,4?-bis[N-(1-naphthyl)-N-phenylamino]biphenyl.) The cause is a net orientation of the Alq{sub 3} molecules with their large dipole moments. Here we report on consequences for an organic light-emitting diode (OLED) with an NPB hole-transport layer and Alq{sub 3} electron-transport layer. The discontinuous polarization at the NPB|Alq{sub 3} interface has the same effect as a sheet of immobile negative charge there. It is more than compensated by a large concentration of injected holes (NPB{sup +}) when the OLED is running. We discuss the implications and consequences for the quantum efficiency and the drive voltage of this OLED and others. We also speculate on possible consequences of permanent polarization in organic photovoltaic devices. The concentration of NPB{sup +} was measured by charge-modulation spectroscopy (CMS) in the near infrared, where the NPB{sup +} has a strong absorption band, supplemented by differential-capacitance and current-voltage measurements. Unlike CMS in the visible, this method avoids complications from modulation of the electroluminescence and electroabsorption.

  12. Chemical Imaging Analysis of Environmental Particles Using the Focused Ion Beam/Scanning Electron Microscopy Technique: Microanalysis Insights into Atmospheric Chemistry of Fly Ash

    SciTech Connect (OSTI)

    Chen, Haihan; Grassian, Vicki H.; Saraf, Laxmikant V.; Laskin, Alexander

    2013-01-21

    Airborne fly ash from coal combustion may represent a source of bioavailable iron (Fe) in the open ocean. However, few studies have been made focusing on Fe speciation and distribution in coal fly ash. In this study, chemical imaging of fly ash has been performed using a dual-beam FIB/SEM (focused ion beam/scanning electron microscope) system for a better understanding of how simulated atmospheric processing modify the morphology, chemical compositions and element distributions of individual particles. A novel approach has been applied for cross-sectioning of fly ash specimen with a FIB in order to explore element distribution within the interior of individual particles. Our results indicate that simulated atmospheric processing causes disintegration of aluminosilicate glass, a dominant material in fly ash particles. Aluminosilicate-phase Fe in the inner core of fly ash particles is more easily mobilized compared with oxide-phase Fe present as surface aggregates on fly ash spheres. Fe release behavior depends strongly on Fe speciation in aerosol particles. The approach for preparation of cross-sectioned specimen described here opens new opportunities for particle microanalysis, particular with respect to inorganic refractive materials like fly ash and mineral dust.

  13. Analysis of core samples from the BPXA-DOE-USGS Mount Elbert gas hydrate stratigraphic test well: Insights into core disturbance and handling

    SciTech Connect (OSTI)

    Kneafsey, Timothy J.; Lu, Hailong; Winters, William; Boswell, Ray; Hunter, Robert; Collett, Timothy S.

    2009-09-01

    Collecting and preserving undamaged core samples containing gas hydrates from depth is difficult because of the pressure and temperature changes encountered upon retrieval. Hydrate-bearing core samples were collected at the BPXA-DOE-USGS Mount Elbert Gas Hydrate Stratigraphic Test Well in February 2007. Coring was performed while using a custom oil-based drilling mud, and the cores were retrieved by a wireline. The samples were characterized and subsampled at the surface under ambient winter arctic conditions. Samples thought to be hydrate bearing were preserved either by immersion in liquid nitrogen (LN), or by storage under methane pressure at ambient arctic conditions, and later depressurized and immersed in LN. Eleven core samples from hydrate-bearing zones were scanned using x-ray computed tomography to examine core structure and homogeneity. Features observed include radial fractures, spalling-type fractures, and reduced density near the periphery. These features were induced during sample collection, handling, and preservation. Isotopic analysis of the methane from hydrate in an initially LN-preserved core and a pressure-preserved core indicate that secondary hydrate formation occurred throughout the pressurized core, whereas none occurred in the LN-preserved core, however no hydrate was found near the periphery of the LN-preserved core. To replicate some aspects of the preservation methods, natural and laboratory-made saturated porous media samples were frozen in a variety of ways, with radial fractures observed in some LN-frozen sands, and needle-like ice crystals forming in slowly frozen clay-rich sediments. Suggestions for hydrate-bearing core preservation are presented.

  14. Synthesis, structure elucidation and redox properties of 99Tc complexes of lacunary Wells Dawson polyoxometalates: insights into molecular 99Tc - metal oxide interactions

    SciTech Connect (OSTI)

    McGregor, Donna; Burton-Pye, Benjamin P.; Howell, Robertha C.; Mbomekalle, Israel M.; Lukens Jr, Wayne W.; Bian, Fang; Mausolf, Edward; Poineau, Frederic; Czerwinski, Kenneth R; Francesconi, Lynn C.

    2011-01-10

    The isotope 99Tc (beta max: 250 keV, half-life: 2 x 105 year) is an abundant product of uranium-235 fission in nuclear reactors and is present throughout the radioactive waste stored in underground tanks at Hanford and Savannah River. Understanding and controlling the extensive redox chemistry of 99Tc is important to identify tunable strategies to separate 99Tc from spent fuel and from waste tanks and once separated, to identify and develop an appropriately stable waste-form for 99Tc. Polyoxometalates (POMs), nanometer sized models for metal oxide solid-state materials, are used in this study to provide a molecular level understanding of the speciation and redox chemistry of incorporated 99Tc. In this study, 99Tc complexes of the (alpha 2-P2W17O61)10- and (alpha 1-P2W17O61)10- isomers were prepared. Ethylene glycol was used as a"transfer ligand" to minimize the formation of TcO2 cdot xH2O. The solution structures, formulations, and purity of TcVO(alpha 1/alpha 2-P2W17O61)7- were determined by multinuclear NMR. X-ray Absorption Spectroscopy of the complexes are in agreement with the formulation and structures determined from 31P and 183W NMR. Preliminary electrochemistry results are consistent with the EXAFS results, showing a facile reduction of the TcVO(alpha 1-P2W17O61)7- species compared to the TcVO(alpha 2-P2W17O61)7- analog. The alpha1- defect is unique in that a basic oxygen atom is positioned toward the alpha1- site and the TcVO center appears to form a dative metal-metal bond with a framework W site. These attributes may lead to the assistance of protonation events that facilitate reduction. Electrochemistry comparison shows that the ReV analogs are about 200 mV more difficult to reduce in accordance with periodic trends.

  15. The structure of Medicago truncatula δ1-pyrroline-5-carboxylate reductase provides new insights into regulation of proline biosynthesis in plants

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

    Ruszkowski, Milosz; Nocek, Boguslaw; Forlani, Giuseppe; Dauter, Zbigniew

    2015-10-30

    The two pathways for proline biosynthesis in higher plants share the last step, the conversion of δ1-pyrroline-5-carboxylate (P5C) to L-proline, which is catalyzed by P5C reductase (P5CR, EC 1.5.1.2) with the use of NAD(P)H as a coenzyme. There is increasing amount of evidence to suggest a complex regulation of P5CR activity at the post-translational level, yet the molecular basis of these mechanisms is unknown. Here we report the three-dimensional structure of the P5CR enzyme from the model legume Medicago truncatula (Mt). The crystal structures of unliganded MtP5CR decamer, and its complexes with the products NAD+, NADP+, and L-proline were refinedmore » using x-ray diffraction data (at 1.7, 1.85, 1.95, and 2.1 Å resolution, respectively). Based on the presented structural data, the coenzyme preference for NADPH over NADH was explained, and NADPH is suggested to be the only coenzyme used by MtP5CR in vivo. Moreover, the insensitivity of MtP5CR to feed-back inhibition by proline, revealed by enzymatic analysis, was correlated with structural features. Additionally, a mechanism for the modulation of enzyme activity by chloride anions is discussed, as well as the rationale for the possible development of effective enzyme inhibitors.« less

  16. Evidence for posttranslational protein flavinylation in the syphilis spirochete Treponema pallidum: Structural and biochemical insights from the catalytic core of a periplasmic flavin-trafficking protein

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

    Deka, Ranjit K.; Brautigam, Chad A.; Liu, Wei Z.; Tomchick, Diana R.; Norgard, Michael V.

    2015-05-05

    The syphilis spirochete Treponema pallidum is an important human pathogen but a highly enigmatic bacterium that cannot be cultivated in vitro. T. pallidum lacks many biosynthetic pathways and therefore has evolved the capability to exploit host-derived metabolites via its periplasmic lipoprotein repertoire. We recently reported a flavin-trafficking protein in T. pallidum (Ftp_Tp; TP0796) as the first bacterial metal-dependent flavin adenine dinucleotide (FAD) pyrophosphatase that hydrolyzes FAD into AMP and flavin mononucleotide (FMN) in the spirochete’s periplasm. However, orthologs of Ftp_Tp from other bacteria appear to lack this hydrolytic activity; rather, they bind and flavinylate subunits of a cytoplasmic membrane redoxmore » system (Nqr/Rnf). To further explore this dichotomy, biochemical analyses, protein crystallography, and structure-based mutagenesis were used to show that a single amino acid change (N55Y) in Ftp_Tp converts it from an Mg²⁺-dependent FAD pyrophosphatase to an FAD-binding protein. We also demonstrated that Ftp_Tp has a second enzymatic activity (Mg²⁺-FMN transferase); it flavinylates protein(s) covalently with FMN on a threonine side chain of an appropriate sequence motif using FAD as the substrate. Moreover, mutation of a metal-binding residue (D284A) eliminates Ftp_Tp’s dual activities, thereby underscoring the role of Mg²⁺ in the enzyme-catalyzed reactions. The posttranslational flavinylation activity that can target a periplasmic lipoprotein (TP0171) has not previously been described. The observed activities reveal the catalytic flexibility of a treponemal protein to perform multiple functions. Together, these findings imply mechanisms by which a dynamic pool of flavin cofactor is maintained and how flavoproteins are generated by Ftp_Tp locally in the T. pallidum periplasm.« less

  17. The Next Step in Deployment of Computer Based Procedures For Field Workers: Insights And Results From Field Evaluations at Nuclear Power Plants

    SciTech Connect (OSTI)

    Oxstrand, Johanna; Le Blanc, Katya L.; Bly, Aaron

    2015-02-01

    The paper-based procedures currently used for nearly all activities in the commercial nuclear power industry have a long history of ensuring safe operation of the plants. However, there is potential to greatly increase efficiency and safety by improving how the human operator interacts with the procedures. One way to achieve these improvements is through the use of computer-based procedures (CBPs). A CBP system offers a vast variety of improvements, such as context driven job aids, integrated human performance tools (e.g., placekeeping, correct component verification, etc.), and dynamic step presentation. The latter means that the CBP system could only display relevant steps based on operating mode, plant status, and the task at hand. A dynamic presentation of the procedure (also known as context-sensitive procedures) will guide the operator down the path of relevant steps based on the current conditions. This feature will reduce the operators workload and inherently reduce the risk of incorrectly marking a step as not applicable and the risk of incorrectly performing a step that should be marked as not applicable. The research team at the Idaho National Laboratory has developed a prototype CBP system for field workers, which has been evaluated from a human factors and usability perspective in four laboratory studies. Based on the results from each study revisions were made to the CBP system. However, a crucial step to get the end users' (e.g., auxiliary operators, maintenance technicians, etc.) acceptance is to put the system in their hands and let them use it as a part of their everyday work activities. In the spring 2014 the first field evaluation of the INL CBP system was conducted at a nuclear power plant. Auxiliary operators conduct a functional test of one out of three backup air compressors each week. During the field evaluation activity, one auxiliary operator conducted the test with the paper-based procedure while a second auxiliary operator followed along with the computer-based procedure. After each conducted functional test the operators were asked a series of questions designed to provide feedback on the feasibility to use a CBP system in the plant and the general user experience of the CBP system. This paper will describe the field evaluation and its results in detail. For example, the result shows that the context driven job aids and the incorporated human performance tools are much liked by the auxiliary operators. The paper will describe and present initial findings from a second field evaluation conducted at second nuclear utility. For this field evaluation a preventive maintenance work order for the HVAC system was used. In addition, there will be a description of the method and objective of two field evaluations planned to be conducted late 2014 or early 2015.

  18. An Unprecedented NADPH Domain Conformation in Lysine Monooxygenase NbtG Provides Insights into Uncoupling of Oxygen Consumption from Substrate Hydroxylation

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

    Binda, Claudia; Robinson, Reeder M.; Martin del Campo, Julia S.; Keul, Nicholas D.; Rodriguez, Pedro J.; Robinson, Howard H.; Mattevi, Andrea; Sobrado, Pablo

    2015-03-23

    N-hydroxylating monooxygenases (NMOs) are involved in the biosynthesis of iron-chelating hydroxamate-containing siderophores that play a role in microbial virulence. These flavoenzymes catalyze the NADPH- and oxygen-dependent hydroxylation of amines, such as those found on the side chains of lysine and ornithine. In this work we report the biochemical and structural characterization of Nocardia farcinica Lys monooxygenase (NbtG), which has similar biochemical properties to mycobacterial homologs. NbtG is also active on D-Lys although it binds L-Lys with a higher affinity. Differently from the ornithine monooxygenases PvdA, SidA and KtzI, NbtG can use both NADH and NADPH and is highly uncoupled, producingmore » more superoxide and hydrogen peroxide than hydroxylated Lys. The crystal structure of NbtG solved at 2.4 Å resolution revealed an unexpected protein conformation with a 30° rotation of the NAD(P)H domain with respect to the FAD domain that precludes binding of the nicotinamide cofactor. This “occluded” structure may explain the biochemical properties of NbtG, specifically with regard to the substantial uncoupling and limited stabilization of the C4a-hydroperoxyflavin intermediate. We discuss the biological implications of these findings.« less

  19. Large fluxes and rapid turnover of mineral-associated carbon across topographic gradients in a humid tropical forest: insights from paired 14C analysis

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

    Hall, S. J.; McNicol, G.; Natake, T.; Silver, W. L.

    2015-04-29

    It has been proposed that the large soil carbon (C) stocks of humid tropical forests result predominantly from C stabilization by reactive minerals, whereas oxygen (O2) limitation of decomposition has received much less attention. We examined the importance of these factors in explaining patterns of C stocks and turnover in the Luquillo Experimental Forest, Puerto Rico, using radiocarbon (14C) measurements of contemporary and archived samples. Samples from ridge, slope, and valley positions spanned three soil orders (Ultisol, Oxisol, Inceptisol) representative of humid tropical forests, and differed in texture, reactive metal content, O2 availability, and root biomass. Mineral-associated C comprised themore » large majority (87 ± 2%, n = 30) of total soil C. Turnover of most mineral-associated C (66 ± 2%) was rapid (11 to 26 years; mean and SE: 18 ± 3 years) in 25 of 30 soil samples across surface horizons (0–10 and 10–20 cm depths) and all topographic positions, independent of variation in reactive metal concentrations and clay content. Passive C with centennial–millennial turnover was typically much less abundant (34 ± 3%), even at 10–20 cm depths. Carbon turnover times and concentrations significantly increased with concentrations of reduced iron (Fe(II)) across all samples, suggesting that O2 availability may have limited the decomposition of mineral-associated C over decadal scales. Steady-state inputs of mineral-associated C were statistically similar among the three topographic positions, and could represent 10–25% of annual litter production. Observed trends in mineral-associated Δ14C over time could not be fit using the single-pool model used in many other studies, which generated contradictory relationships between turnover and Δ14C as compared with a more realistic two-pool model. The large C fluxes in surface and near-surface soils documented here are supported by findings from paired 14C studies in other types of ecosystems, and suggest that most mineral-associated C cycles relatively rapidly (decadal scales) across ecosystems that span a broad range of state factors.« less

  20. Large fluxes and rapid turnover of mineral-associated carbon across topographic gradients in a humid tropical forest: insights from paired 14C analysis

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

    Hall, S. J.; McNicol, G.; Natake, T.; Silver, W. L.

    2015-01-16

    It has been proposed that the large soil carbon (C) stocks of humid tropical forests result predominantly from C stabilization by reactive minerals, whereas oxygen (O2) limitation of decomposition has received much less attention. We examined the importance of these factors in explaining patterns of C stocks and turnover in the Luquillo Experimental Forest, Puerto Rico, using radiocarbon (14C) measurements of contemporary and archived samples. Samples from ridge, slope, and valley positions spanned three soil orders (Ultisol, Oxisol, Inceptisol) representative of humid tropical forests, and differed in texture, reactive metal content, O2 availability, and root biomass. Mineral-associated C comprised themore » large majority (87 ± 2%, n = 30) of total soil C. Turnover of most mineral-associated C (74 ± 4%) was rapid (9 to 29 years, mean and SE 20 ± 2 years) in 25 of 30 soil samples across surface horizons (0–10 and 10–20 cm depths) and all topographic positions, independent of variation in reactive metal concentrations and clay content. Passive C with centennial – millennial turnover was much less abundant (26%), even at 10–20 cm depths. Carbon turnover times and concentrations significantly increased with concentrations of reduced iron (Fe(II)) across all samples, suggesting that O2 availability may have limited the decomposition of mineral associated C over decadal scales. Steady-state inputs of mineral-associated C were similar among the three topographic positions, and could represent 10–30% of annual litterfall production (estimated by doubling aboveground litterfall). Observed trends in mineral-associated Δ14C over time could not be fit using the single pool model used in many other studies, which generated contradictory relationships between turnover and Δ14C as compared with a more realistic constrained two-pool model. The large C fluxes in surface and near-surface soils implied by our data suggest that other studies using single-pool Δ14C models of mineral-associated C dynamics, unconstrained by multiple time points, may have systematically underestimated C turnover.« less

  1. Insight from Public Surveys Related to Siting of Nuclear Waste Facilities: An Overview of Findings from a 2015 Nationwide Survey of US Residents

    SciTech Connect (OSTI)

    Jenkins-Smith, Hank C.; Gupta, Kuhika; Silva, Carol L.; Bonano, Evaristo J.; Rechard, Robert P.

    2015-09-01

    The results described in this report are an analysis of nationwide surveys, administered between 2006 and 2015, which measure preferences of US residents concerning the environment and energy sources. The Energy & Environment (EE) survey series is conducted annually by the Center for Energy, Security & Society (CES&S), a joint research collaboration of the University of Oklahoma and Sandia National Laboratories. The annual EE survey series is designed to track evolving public views on nuclear materials management in the US. The 2015 wave of the Energy and Environment survey (EE15) was implemented using a web-based questionnaire, and was completed by 2,021 respondents using an Internet sample that matches the characteristics of the adult US population as estimated in the US Census. A special focus of the EE15 survey is how survey respondents understand and evaluate “consent” in the context of the storage and transportation of spent nuclear fuel (SNF). This report presents an overview of key results from analyses of questions related to consent-based siting and other elements of the nuclear energy fuel cycle.

  2. Towards risk-based management of critical infrastructures : enabling insights and analysis methodologies from a focused study of the bulk power grid.

    SciTech Connect (OSTI)

    Richardson, Bryan T.; LaViolette, Randall A.; Cook, Benjamin Koger

    2008-02-01

    This report summarizes research on a holistic analysis framework to assess and manage risks in complex infrastructures, with a specific focus on the bulk electric power grid (grid). A comprehensive model of the grid is described that can approximate the coupled dynamics of its physical, control, and market components. New realism is achieved in a power simulator extended to include relevant control features such as relays. The simulator was applied to understand failure mechanisms in the grid. Results suggest that the implementation of simple controls might significantly alter the distribution of cascade failures in power systems. The absence of cascade failures in our results raises questions about the underlying failure mechanisms responsible for widespread outages, and specifically whether these outages are due to a system effect or large-scale component degradation. Finally, a new agent-based market model for bilateral trades in the short-term bulk power market is presented and compared against industry observations.

  3. Report on the 1. Techno Rally of small model cars driven by Stirling engines

    SciTech Connect (OSTI)

    Isshiki, N.; Hirata, M.; Fujii, I.; Masuno, M.

    1998-07-01

    The first speed contest of model cars driven by hand made Stirling engines was held in summer of 1997 in Tokyo under the name of The First Stirling Techno Rally sponsored by JSME and others. The body of cars were smaller than 60 cm in length and 30 cm in width to fit the test course and Stirling engines were non-pressurized hot air engine fueled by gas or solid fuel. On the race day, 103 cars were gathered from high schools, universities and companies, and the contest was successful1 in both technical and educational purposes. The top speed record was 4.25 second for 13 m run. In this paper the details of this contest are reported. The second techno rally will be held in November, 1998 at Honda's sub car test course.

  4. 2011 Hyundai Sonata 3539 - Hybrid Electric Vehicle Battery Test Results

    SciTech Connect (OSTI)

    Matthew Shirk; Tyler Gray; Jeffrey Wishart

    2014-09-01

    The U.S. Department of Energys Advanced Vehicle Testing Activity Program consists of vehicle, battery, and infrastructure testing on advanced technology related to transportation. The activity includes tests on hybrid electric vehicles, including testing hybrid electric vehicle batteries when both the vehicles and batteries are new and at the conclusion of 160,000 miles of on-road fleet testing. This report documents battery testing performed for the 2011 Hyundai Sonata Hybrid (VIN KMHEC4A47BA003539). Battery testing was performed by Intertek Testing Services NA. The Idaho National Laboratory and Intertek collaborate on the Advanced Vehicle Testing Activity for the Vehicle Technologies Program of the U.S. Department of Energy.

  5. 2011 Hyundai Sonata 4932 - Hybrid Electric Vehicle Battery Test Results

    SciTech Connect (OSTI)

    Tyler Gray; Matthew Shirk; Jeffrey Wishart

    2013-07-01

    The U.S. Department of Energy Advanced Vehicle Testing Activity Program consists of vehicle, battery, and infrastructure testing on advanced technology related to transportation. The activity includes tests on hybrid electric vehicles (HEVs), including testing the HEV batteries when both the vehicles and batteries are new and at the conclusion of 160,000 miles of on-road fleet testing. This report documents battery testing performed for the 2011 Hyundai Sonata Hybrid HEV (VIN KMHEC4A43BA004932). Battery testing was performed by the Electric Transportation Engineering Corporation dba ECOtality North America. The Idaho National Laboratory and ECOtality North America collaborate on the AVTA for the Vehicle Technologies Program of the DOE.

  6. Adipose-derived stem cells retain their regenerative potential after methotrexate treatment

    SciTech Connect (OSTI)

    Beane, Olivia S.; Fonseca, Vera C.; Darling, Eric M.

    2014-10-01

    In musculoskeletal tissues like bone, chemotherapy can impair progenitor cell differentiation and proliferation, resulting in decreased bone growth and mineralization throughout a patient's lifetime. In the current study, we investigated the effects of chemotherapeutics on adipose-derived stem cell (ASC) function to determine whether this cell source could be a candidate for repairing, or even preventing, chemotherapy-induced tissue damage. Dose-dependent proliferation rates of ASCs and normal human fibroblasts (NHFs) were quantified after treatment with cytarabine (CY), etoposide (ETO), methotrexate (MTX), and vincristine (VIN) using a fluorescence-based assay. The influence of MTX on the multipotency of ASCs and freshly isolated stromal vascular fraction (SVF) cells was also evaluated using lineage-specific stains and spectrophotometry. ASC and NHF proliferation were equally inhibited by exposure to CY and ETO; however, when treated with MTX and VIN, ASCs exhibited greater resistance. This was especially apparent for MTX-treated samples, with ASC proliferation showing no inhibition for clinically relevant MTX doses ranging from 0.1 to 50 μM. Additional experiments revealed that the differentiation potential of ASCs was not affected by MTX treatment and that upregulation of dihydrofolate reductase possibly contributed to this response. Moreover, SVF cells, which include ASCs, exhibited similar resistance to MTX impairment, with respect to cellular proliferation, clonogenicity, and differentiation capability. Therefore, we have shown that the regenerative properties of ASCs resist the cytotoxicity of MTX, identifying these cells as a potential key for repairing musculoskeletal damage in patients undergoing chemotherapy. - Highlights: • Long-term effects of chemotherapeutics can include musculoskeletal dysfunction. • A screen of common drugs showed disparate effects on ASCs and fibroblasts. • One drug, methotrexate, did not impair ASC growth characteristics or multipotency. • Upregulation of dihydrofolate reductase may enable ASC methotrexate resistance. • ASCs thus pose a possible means to ameliorate long-term tissue damage.

  7. Defect-Tolerant Diffusion Channels for Mg2+ Ions in Ribbon-Type Borates: Structural Insights into Potential Battery Cathodes MgVBO4 and Mgx Fe2–xB2O5

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

    Bo, Shou-Hang; Grey, Clare P.; Khalifah, Peter G.

    2015-06-10

    The reversible room temperature intercalation of Mg2+ ions is difficult to achieve, but may offer substantial advantages in the design of next-generation batteries if this electrochemical process can be successfully realized. Two types of quadruple ribbon-type transition metal borates (MgxFe2-xB2O5 and MgVBO4) with high theoretical capacities (186 mAh/g and 360 mAh/g) have been synthesized and structurally characterized through the combined Rietveld refinement of synchrotron and time-of-flight neutron diffraction data. Neither MgVBO4 nor MgxFe2-xB2O5 can be chemically oxidized at room temperature, though Mg can be dynamically removed from the latter phase at elevated temperatures (approximately 200 - 500 °C). Findingsmore »show that Mg diffusion in the MgxFe2-xB2O5 structure is more facile for the inner two octahedral sites than for the two outer octahedral sites in the ribbons, a result supported by both the refined site occupancies after Mg removal and by bond valence sum difference map calculations of diffusion paths in the pristine material. Mg diffusion in this pyroborate MgxFe2-xB2O5 framework is also found to be tolerant to the presence of Mg/Fe disorder since Mg ions can diffuse through interstitial channels which bypass Fe-containing sites.« less

  8. Effect of a C298D Mutation in CaHydA [FeFe]-Hydrogenase: Insights into the Protein-Metal Cluster Interaction by EPR and FTIR Spectroscopic Investigation

    SciTech Connect (OSTI)

    Morra, Simone; Maurelli, Sara; Chiesa, Mario; Mulder, David W.; Ratzloff, Michael W.; Giamello, Elio; King, Paul W.; Gilardi, Gianfranco; Valettia, Francesca

    2016-01-01

    A conserved cysteine located in the signature motif of the catalytic center (H-cluster) of [FeFe]-hydrogenases functions in proton transfer. This residue corresponds to C298 in Clostridium acetobutylicum CaHydA. Despite the chemical and structural difference, the mutant C298D retains fast catalytic activity, while replacement with any other amino acid caused significant activity loss. Given the proximity of C298 to the H-cluster, the effect of the C298D mutation on the catalytic center was studied by continuous wave (CW) and pulse electron paramagnetic resonance (EPR) and by Fourier transform infrared (FTIR) spectroscopies. Comparison of the C298D mutant with the wild type CaHydA by CW and pulse EPR showed that the electronic structure of the center is not altered. FTIR spectroscopy confirmed that absorption peak values observed in the mutant are virtually identical to those observed in the wild type, indicating that the H-cluster is not generally affected by the mutation. Significant differences were observed only in the inhibited state Hox-CO: the vibrational modes assigned to the COexo and Fed-CO in this state are shifted to lower values in C298D, suggesting different interaction of these ligands with the protein moiety when C298 is changed to D298. More relevant to the catalytic cycle, the redox equilibrium between the Hox and Hred states is modified by the mutation, causing a prevalence of the oxidized state. This work highlights how the interactions between the protein environment and the H-cluster, a dynamic closely interconnected system, can be engineered and studied in the perspective of designing bio-inspired catalysts and mimics.

  9. Robustness of RISMC Insights under Alternative Aleatory/Epistemic Uncertainty Classifications: Draft Report under the Risk-Informed Safety Margin Characterization (RISMC) Pathway of the DOE Light Water Reactor Sustainability Program

    SciTech Connect (OSTI)

    Unwin, Stephen D.; Eslinger, Paul W.; Johnson, Kenneth I.

    2012-09-20

    The Risk-Informed Safety Margin Characterization (RISMC) pathway is a set of activities defined under the U.S. Department of Energy (DOE) Light Water Reactor Sustainability Program. The overarching objective of RISMC is to support plant life-extension decision-making by providing a state-of-knowledge characterization of safety margins in key systems, structures, and components (SSCs). A technical challenge at the core of this effort is to establish the conceptual and technical feasibility of analyzing safety margin in a risk-informed way, which, unlike conventionally defined deterministic margin analysis, would be founded on probabilistic characterizations of uncertainty in SSC performance. In the context of probabilistic risk assessment (PRA) technology, there has arisen a general consensus about the distinctive roles of two types of uncertainty: aleatory and epistemic, where the former represents irreducible, random variability inherent in a system, whereas the latter represents a state of knowledge uncertainty on the part of the analyst about the system which is, in principle, reducible through further research. While there is often some ambiguity about how any one contributing uncertainty in an analysis should be classified, there has nevertheless emerged a broad consensus on the meanings of these uncertainty types in the PRA setting. However, while RISMC methodology shares some features with conventional PRA, it will nevertheless be a distinctive methodology set. Therefore, the paradigms for classification of uncertainty in the PRA setting may not fully port to the RISMC environment. Yet the notion of risk-informed margin is based on the characterization of uncertainty, and it is therefore critical to establish a common understanding of uncertainty in the RISMC setting.

  10. Evidence for posttranslational protein flavinylation in the syphilis spirochete Treponema pallidum: Structural and biochemical insights from the catalytic core of a periplasmic flavin-trafficking protein

    SciTech Connect (OSTI)

    Deka, Ranjit K.; Brautigam, Chad A.; Liu, Wei Z.; Tomchick, Diana R.; Norgard, Michael V.

    2015-05-05

    The syphilis spirochete Treponema pallidum is an important human pathogen but a highly enigmatic bacterium that cannot be cultivated in vitro. T. pallidum lacks many biosynthetic pathways and therefore has evolved the capability to exploit host-derived metabolites via its periplasmic lipoprotein repertoire. We recently reported a flavin-trafficking protein in T. pallidum (Ftp_Tp; TP0796) as the first bacterial metal-dependent flavin adenine dinucleotide (FAD) pyrophosphatase that hydrolyzes FAD into AMP and flavin mononucleotide (FMN) in the spirochete’s periplasm. However, orthologs of Ftp_Tp from other bacteria appear to lack this hydrolytic activity; rather, they bind and flavinylate subunits of a cytoplasmic membrane redox system (Nqr/Rnf). To further explore this dichotomy, biochemical analyses, protein crystallography, and structure-based mutagenesis were used to show that a single amino acid change (N55Y) in Ftp_Tp converts it from an Mg²⁺-dependent FAD pyrophosphatase to an FAD-binding protein. We also demonstrated that Ftp_Tp has a second enzymatic activity (Mg²⁺-FMN transferase); it flavinylates protein(s) covalently with FMN on a threonine side chain of an appropriate sequence motif using FAD as the substrate. Moreover, mutation of a metal-binding residue (D284A) eliminates Ftp_Tp’s dual activities, thereby underscoring the role of Mg²⁺ in the enzyme-catalyzed reactions. The posttranslational flavinylation activity that can target a periplasmic lipoprotein (TP0171) has not previously been described. The observed activities reveal the catalytic flexibility of a treponemal protein to perform multiple functions. Together, these findings imply mechanisms by which a dynamic pool of flavin cofactor is maintained and how flavoproteins are generated by Ftp_Tp locally in the T. pallidum periplasm.

  11. Computational insights on crystal structures of the oxygen-evolving complex of photosystem II with either Ca²⁺ or Ca²⁺ substituted by Sr²⁺

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

    Vogt, Leslie; Ertem, Mehmed Z.; Pal, Rhitankar; Brudvig, Gary W.; Batista, Victor S.

    2015-01-15

    The oxygen-evolving complex of photosystem II can function with either Ca²⁺ or Sr²⁺ as the heterocation, but the reason for differing turnover rates remains unresolved despite reported X-ray crystal structures for both forms. Using quantum mechanics/molecular mechanics (QM/MM) calculations, we optimize structures with each cation in both the resting state (S₁) and in a series of reduced states (S₀, S₋₁, and S-₂). Through comparison with experimental data, we determine that X-ray crystal structures with either Ca²⁺ or Sr²⁺ are most consistent with the S-₂ state, Mn₄[III,III,III,II] with O4 and O5 protonated. As expected, the QM/MM models show that Ca²⁺/Sr²⁺ substitutionmore » results in elongation of the heterocation bonds and displaces terminal waters W3 and W4. The optimized structures also show that hydrogen-bonded W5 is displaced in all S states with Sr²⁺ as the heterocation, suggesting that this water may play a critical role during water oxidation.« less

  12. Developing 226Ra and 227Ac age-dating techniques for nuclear forensics to gain insight from concordant and non-concordant radiochronometers

    SciTech Connect (OSTI)

    Kayzar, Theresa M.; Williams, Ross W.

    2015-09-26

    The model age or ‘date of purification’ of a nuclear material is an important nuclear forensic signature. In this study, chemical separation and MC-ICP-MS measurement techniques were developed for 226 Ra and 227Ac: grand-daughter nuclides in the 238U and 235U decay chains respectively. The 230Th-234U, 226Ra-238U, 231Pa-235U, and 227Ac-235U radiochronometers were used to calculate model ages for CRM-U100 standard reference material and two highly-enriched pieces of uranium metal from the International Technical Working Group Round Robin 3 Exercise. In conclusion, the results demonstrate the accuracy of the 226Ra-238U and 227Ac-235U chronometers and provide information about nuclide migration during uranium processing.

  13. Defect-Tolerant Diffusion Channels for Mg2+ Ions in Ribbon-Type Borates: Structural Insights into Potential Battery Cathodes MgVBO4 and Mgx Fe2–xB2O5

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

    Bo, Shou-Hang; Grey, Clare P.; Khalifah, Peter G.

    2015-06-10

    The reversible room temperature intercalation of Mg2+ ions is difficult to achieve, but may offer substantial advantages in the design of next-generation batteries if this electrochemical process can be successfully realized. Two types of quadruple ribbon-type transition metal borates (MgxFe2-xB2O5 and MgVBO4) with high theoretical capacities (186 mAh/g and 360 mAh/g) have been synthesized and structurally characterized through the combined Rietveld refinement of synchrotron and time-of-flight neutron diffraction data. Neither MgVBO4 nor MgxFe2-xB2O5 can be chemically oxidized at room temperature, though Mg can be dynamically removed from the latter phase at elevated temperatures (approximately 200 - 500 °C). Findingsmore » show that Mg diffusion in the MgxFe2-xB2O5 structure is more facile for the inner two octahedral sites than for the two outer octahedral sites in the ribbons, a result supported by both the refined site occupancies after Mg removal and by bond valence sum difference map calculations of diffusion paths in the pristine material. Mg diffusion in this pyroborate MgxFe2-xB2O5 framework is also found to be tolerant to the presence of Mg/Fe disorder since Mg ions can diffuse through interstitial channels which bypass Fe-containing sites.« less

  14. Hygroscopic La[B{sub 5}O{sub 8}(OH)]NO{sub 3}·2H{sub 2}O: Insight into the evolution of borate fundamental building blocks

    SciTech Connect (OSTI)

    Zhao, Biao-Chun; Sun, Wei; Ren, Wei-Jian; Huang, Ya-Xi; Li, Zucheng; Pan, Yuanming; Mi, Jin-Xiao

    2013-10-15

    Borates have exceptionally diverse fundamental building blocks (FBBs), but factors controlling the formation of borate FBBs are poorly understood. The title compound La[B{sub 5}O{sub 8}(OH)]NO{sub 3}·2H{sub 2}O crystallizes in the space group P2{sub 1}/n with a=6.5396(12) Å, b=15.550(3) Å, c=10.6719(19) Å, β=90.44(1)° and Z=4 at 173(2) K. Its structure has been refined from single-crystal X-ray diffraction data to R{sub 1}=0.049 (for 2465) and wR{sub 2}=0.173 (for 2459 I>2σ(I)). This structure analysis and first-principles calculations show that the change of the FBB from 3Δ2□ in the title compound to 2Δ3□ in La[B{sub 5}O{sub 8}(OH)(H{sub 2}O)]NO{sub 3}·2H{sub 2}O is accompanied by a rotation of the NO{sub 3} group. FTIR, Rietveld and thermal analysis results show that the hygroscopic title compound is partially changed to La[B{sub 5}O{sub 8}(OH)(H{sub 2}O)]NO{sub 3}·2H{sub 2}O, with the conversion of [BO{sub 3}] to [BO{sub 3}(H{sub 2}O)] by water absorption. - Graphical abstract: The change of fundamental building blocks from La[B{sub 5}O{sub 8}(OH)]NO{sub 3}·2H{sub 2}O to La[B{sub 5}O{sub 8}(OH)(H{sub 2}O)]NO{sub 3}·2H{sub 2}O is accompanied by a rotation of the NO{sub 3} group . Display Omitted - Highlights: • Synthesis of a new hydrous lanthanum polyborate nitrate. • Single-crystal XRD structure with the 3Δ2⎕ FBB and an oriented NO{sub 3} group. • DFT calculations locate the H positions in three lanthanide polyborate nitrates. • Rietveld, FTIR and DFT results show hygroscopicity changes the FBBs.

  15. Insight into the Atomic Structure of High-Voltage Spinel LiNi0.5Mn1.5O4 Cathode Material in the First Cycle

    SciTech Connect (OSTI)

    Huang, Xuejie; Yu, Xiqian; Lin, Mingxiang; Ben, Liubin; Sun, Yang; Wang, Hao; Yang, Zhenzhong; Gu, Lin; Yang, Xiao -Qing; Zhao, Haofei; Yu, Richeng; Armand, Michel

    2014-12-22

    Application of high-voltage spinel LiNi0.5Mn1.5O4 cathode material is the closest and the most realistic approach to meeting the midterm goal of lithium-ion batteries for electric vehicles (EVs) and plug-in hybrid electric vehicles (HEVs). However, this application has been hampered by long-standing issues, such as capacity degradation and poor first-cycle Coulombic efficiency of LiNi0.5Mn1.5O4 cathode material. Although it is well-known that the structure of LiNi0.5Mn1.5O4 into which Li ions are reversibly intercalated plays a critical role in the above issues, performance degradation related to structural changes, particularly in the first cycle, are not fully understood. Here, we report detailed investigations of local atomic-level and average structure of LiNi0.5Mn1.5O4 during first cycle (3.54.9 V) at room temperature. We observed two types of local atomic-level migration of transition metals (TM) ions in the cathode of a well-prepared LiNi0.5Mn1.5O4//Li half-cell during first charge via an aberration-corrected scanning transmission electron microscopy (STEM). Surface regions (~2 nm) of the cycled LiNi0.5Mn1.5O4 particles show migration of TM ions into tetrahedral Li sites to form a Mn3O4-like structure. However, subsurface regions of the cycled particles exhibit migration of TM ions into empty octahedral sites to form a rocksalt-like structure. The migration of these TM ions are closely related to dissolution of Ni/Mn ions and building-up of charge transfer impedance, which contribute significantly to the capacity degradation and the poor first-cycle Coulombic efficiency of spinel LiNi0.5Mn1.5O4 cathode material. Accordingly, we provide suggestions of effective stabilization of LiNi0.5Mn1.5O4 structure to obtain better electrochemical performance.

  16. Mineralogical textural and compositional data on the alteration of basaltic glass from Kilauea, Hawaii to 300 degrees C: Insights to the corrosion of a borosilicate glass waste-form. [Yucca Mountain Project

    SciTech Connect (OSTI)

    Smith, D.K.

    1990-01-01

    Mineralogical, textural and compositional data accompanying greenschist facies metamorphism (to 300{degrees}C) of basalts of the East Rift Zone (ERZ), Kilauea, Hawaii may be evaluated relative to published and experimental results for the surface corrosion of borosilicate glass. The ERZ alteration sequence is dominated by intermittent palagonite, interlayered smectite-chlorite, chlorite, and actinolite-epidote-anhydrite. Alteration is best developed in fractures and vesicles where surface reaction layers root on the glass matrix forming rinds in excess of 100 microns thick. Fractures control fluid circulation and the alteration sequence. Proximal to the glass surface, palagonite, Fe-Ti oxides and clays replace fresh glass as the surface reaction layer migrates inwards; away from the surface, amphibole, anhydrite, quartz and calcite crystallize from hydrothermal fluids in contact with the glass. The texture and composition of basaltic glass surfaces are similar to those of a SRL-165 glass leached statically for sixty days at 150 {degrees}C. While the ERZ reservoir is a complex open system, conservative comparisons between the alteration of ERZ and synthetic borosilicate glass are warranted. 31 refs., 2 figs.

  17. Mechanistic insight into peroxydisulfate reactivity: Oxidation of the cis,cis-[Ru(bpy)2(OH2)]2O4+ "Blue Dimmer"

    SciTech Connect (OSTI)

    Hurst, James K.; Roemeling, Margo D.; Lymar, Sergei V.

    2015-04-10

    One-electron oxidation of the ?-oxo dimer (cis,cis-[RuIII(bpy)2(OH2)]2O4+, {3,3}) to {3,4} by S2O82- can be described by three concurrent reaction pathways corresponding to the three protic forms of {3,3}. Free energy correlations of the rate constants, transient species dynamics determined by pulse radiolysis, and medium and temperature dependencies of the alkaline pathway all suggest that the rate determining step in these reactions is a strongly non-adiabatic dissociative electron transfer within a precursor ion pair leading to the {3,4}|SO42-|SO4- ion triple. As deduced from the SO4- scavenging experiments with 2-propanol, the SO4- radical then either oxidizes {3,4} to {4,4} within the ion triple, effecting a net two-electron oxidation of {3,3}, or escapes in solution with ~25 % probability to react with additional {3,3} and {3,4}, that is, effecting sequential one-electron oxidations. The reaction model presented also invokes rapid {3,3} + {4,4} ? 2{3,4} comproportionation, for which kcom ~5107 M-1 s-1 was independently measured. The model provides an explanation for the observation that despite favorable energetics, no oxidation beyond the {3,4} state was detected. As a result, the indiscriminate nature of oxidation by SO4- indicates that its fate must be quantitatively determined when using S2O82- as an oxidant

  18. Role of positive ions on the surface production of negative ions in a fusion plasma reactor type negative ion sourceInsights from a three dimensional particle-in-cell Monte Carlo collisions model

    SciTech Connect (OSTI)

    Fubiani, G.; Boeuf, J. P. [Universit de Toulouse, UPS, INPT, LAPLACE (Laboratoire Plasma et Conversion d'Energie), 118 route de Narbonne, F-31062 Toulouse cedex 9 (France) [Universit de Toulouse, UPS, INPT, LAPLACE (Laboratoire Plasma et Conversion d'Energie), 118 route de Narbonne, F-31062 Toulouse cedex 9 (France); CNRS, LAPLACE, F-31062 Toulouse (France)

    2013-11-15

    Results from a 3D self-consistent Particle-In-Cell Monte Carlo Collisions (PIC MCC) model of a high power fusion-type negative ion source are presented for the first time. The model is used to calculate the plasma characteristics of the ITER prototype BATMAN ion source developed in Garching. Special emphasis is put on the production of negative ions on the plasma grid surface. The question of the relative roles of the impact of neutral hydrogen atoms and positive ions on the cesiated grid surface has attracted much attention recently and the 3D PIC MCC model is used to address this question. The results show that the production of negative ions by positive ion impact on the plasma grid is small with respect to the production by atomic hydrogen or deuterium bombardment (less than 10%)

  19. New insights in the polarization resistance of anode-supported solid oxide fuel cells with La0.6Sr0.4Co0.2Fe0.8O3 cathodes

    SciTech Connect (OSTI)

    Lu, Zigui; Hardy, John S.; Templeton, Jared W.; Stevenson, Jeffry W.

    2011-01-01

    In this study, the polarization resistance of the La0.6Sr0.4Co0.2Fe0.8O3 (LSCF) solid oxide fuel cell (SOFC) cathode was investigated by I-V sweep and electrochemcial impedance spectroscopy under a series of dc bias voltages and cathode environments (i.e. stagnant air, flowing air, and flowing oxygen) at temperatures from 550 to 750 C. In flowing oxygen, the polarization resistance of the fuel cell decreased considerably with the applied current density. A linear relationship was observed between the ohmic-free over-potential and the logarithm of the current density of the fuel cell at all the measuring temperatures. In stagnant or flowing air, a new arc related to the molecular oxygen diffusion in the pores of the cathode was identified at high temperatures and high current densities. The magnitude of this arc increased with the applied current density due to the decreased oxygen partial pressure at the interface of the cathode and the electrolyte. It is found that the performance of the fuel cell in air is mainly determined by the oxygen diffusion process. Elimination of this process by flowing oxygen to the cathode improved the cell performance significantly. At 750 C, for a fuel cell with a laser-deposited Sm0.2Ce0.8O1.9 (SDC) interlayer, an extraordinarily high power density of 2.6 W cm-2 at 0.7 V was achieved in flowing oxygen, as a result of reduced ohmic and polarization resistance of the fuel cell, which were 0.06 ? cm2 and 0.03 ? cm2, respectively. The results indicate that optimization of the microstructure of the LSCF cathode or adoption of a new cell design which can mitigate the diffusion problem in the cathode might enhance cell performance significantly.

  20. Light Duty Fuel Cell Electric Vehicle Validation Data. Final Technical Report

    SciTech Connect (OSTI)

    Jelen, Deborah; Odom, Sara

    2015-04-30

    Electricore, along with partners from Quong & Associates, Inc., Honda R&D Americas (Honda), Nissan Technical Center North America (Nissan), and Toyota Motor Engineering & Manufacturing North America, Inc. (Toyota), participated in the Light Duty Fuel Cell Electric Vehicle (FCEV) Validation Data program sponsored by the Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) (Cooperative Agreement No. DE-EE0005968). The goal of this program was to provide real world data from the operation of past and current FCEVs, in order to measure their performance and improvements over time. The program was successful; 85% of the data fields requested were provided and not restricted due to proprietary reasons. Overall, the team from Electricore provided at least 4.8 GB of data to DOE, which was combined with data from other participants to produce over 33 key data products. These products included vehicle performance and fuel cell stack performance/durability. The data were submitted to the National Renewable Energy Laboratorys National Fuel Cell Technology Evaluation Center (NREL NFCTEC) and combined with input from other participants. NREL then produced composite data products (CDP) which anonymized the data in order to maintain confidentiality. The results were compared with past data, which showed a measurable improvement in FCEVs over the past several years. The results were presented by NREL at the 2014 Fuel Cell Seminar, and 2014 and 2015 (planned) DOE Annual Merit Review. The project was successful. The team provided all of the data agreed upon and met all of its goals. The project finished on time and within budget. In addition, an extra $62,911 of cost sharing was provided by the Electricore team. All participants believed that the method used to collect, combine, anonymize, and present the data was technically and economically effective. This project helped EERE meet its mission of ensuring Americas security and prosperity by documenting progress in addressing energy and environmental challenges. Information from this project will be used by the hydrogen and vehicle industries to help advance the introduction of FCEVs and associated hydrogen infrastructure.

  1. Development of Advanced Small Hydrogen Engines

    SciTech Connect (OSTI)

    Sapru, Krishna; Tan, Zhaosheng; Chao, Ben

    2010-09-30

    The main objective of the project is to develop advanced, low cost conversions of small (< 25 hp) gasoline internal combustion engines (ICEs) to run on hydrogen fuel while maintaining the same performance and durability. This final technical report summarizes the results of i) the details of the conversion of several small gasoline ICEs to run on hydrogen, ii) the durability test of a converted hydrogen engine and iii) the demonstration of a prototype bundled canister solid hydrogen storage system. Peak power of the hydrogen engine achieves 60% of the power output of the gasoline counterpart. The efforts to boost the engine power with various options including installing the over-sized turbocharger, retrofit of custom-made pistons with high compression ratio, an advanced ignition system, and various types of fuel injection systems are not realized. A converted Honda GC160 engine with ACS system to run with hydrogen fuel is successful. Total accumulative runtime is 785 hours. A prototype bundled canister solid hydrogen storage system having nominal capacity of 1.2 kg is designed, constructed and demonstrated. It is capable of supporting a wide range of output load of a hydrogen generator.

  2. An Overview of Geologic Carbon Sequestration Potential in California

    SciTech Connect (OSTI)

    Cameron Downey; John Clinkenbeard

    2005-10-01

    As part of the West Coast Regional Carbon Sequestration Partnership (WESTCARB), the California Geological Survey (CGS) conducted an assessment of geologic carbon sequestration potential in California. An inventory of sedimentary basins was screened for preliminary suitability for carbon sequestration. Criteria included porous and permeable strata, seals, and depth sufficient for critical state carbon dioxide (CO{sub 2}) injection. Of 104 basins inventoried, 27 met the criteria for further assessment. Petrophysical and fluid data from oil and gas reservoirs was used to characterize both saline aquifers and hydrocarbon reservoirs. Where available, well log or geophysical information was used to prepare basin-wide maps showing depth-to-basement and gross sand distribution. California's Cenozoic marine basins were determined to possess the most potential for geologic sequestration. These basins contain thick sedimentary sections, multiple saline aquifers and oil and gas reservoirs, widespread shale seals, and significant petrophysical data from oil and gas operations. Potential sequestration areas include the San Joaquin, Sacramento, Ventura, Los Angeles, and Eel River basins, followed by the smaller Salinas, La Honda, Cuyama, Livermore, Orinda, and Sonoma marine basins. California's terrestrial basins are generally too shallow for carbon sequestration. However, the Salton Trough and several smaller basins may offer opportunities for localized carbon sequestration.

  3. Oil and gas developments in South America, Central America, Caribbean area, and Mexico in 1987

    SciTech Connect (OSTI)

    Wiman, W.D.

    1988-10-01

    Exploration activity in South America, Central America, the Caribbean area, and Mexico in 1987 showed significant increases in seismic acquisition in Belize, Bolivia, Brazil, Costa Rica, Guatemala, Mexico, Paraguay, and Peru, and a decrease in Chile and Venezuela. Exploratory drilling increased in most major producing countries but was accompanied by a decline in development drilling. Most of the increase could be attributed to private companies fulfilling obligations under risk contracts; however, state oil companies in Bolivia, Chile, and Colombia showed significant increased activity, with only Mexico showing a decrease. Colombia again had a dramatic increase in production (29% from 1986). Noteworthy discoveries were made in Bolivia (Villamontes-1); Brazil, in the Solimoes basin (1-RUC-1-AM); Chile (Rio Honda-1); Colombia, in the Llanos basin (Austral-1, La Reforma-1, Libertad Norte-1, Cravo Este-1, and Cano Yarumal-1), in the Upper Magdalena basin (Toldado-1 and Los Mangos-1); Ecuador (Frontera-1, a joint-exploration venture with Colombia); Mexico, in the Chiapas-Tabasco region (Guacho-1 and Iridi-1), in the Frontera Norte area (Huatempo-1); Peru, in the Madre de Dios basin (Armihuari-4X); Trinidad (West East Queen's Beach-1); and Venezuela (Musipan-1X). Brazil's upper Amazon (Solimoes basin) discovery, Colombia's Upper Magdalena basin discoveries Toldado-1 and Los Mangos-1, Mexico's Chiapas-Tabasco discoveries, Peru's confirmation of the giant Cashiriari discovery of 1986, and Venezuela's success in Monagas state were the highlights of 1987. 5 figs., 8 tabs.

  4. Methanol/ethanol/gasoline blend-fuels demonstration with stratified-charge-engine vehicles: Consultant report. Final report

    SciTech Connect (OSTI)

    Pefley, R.; Adelman, H.; Suga, T.

    1980-03-01

    Four 1978 Honda CVCC vehicles have been in regular use by California Energy Commission staff in Sacramento for 12 months. Three of the unmodified vehicles were fueled with alcohol/gasoline blends (5% methanol, 10% methanol, and 10% ethanol) with the fourth remaining on gasoline as a control. The operators did not know which fuels were in the vehicles. At 90-day intervals the cars were returned to the Univerity of Santa Clara for servicing and for emissions and fuel economy testing in accordance with the Federal Test Procedures. The demonstration and testing have established the following: (1) the tested blends cause no significant degradation in exhaust emissions, fuel economy, and driveability; (2) the tested blends cause significant increases in evaporative emissions; (3) analysis of periodic oil samples shows no evidence of accelerated metal wear; and (4) higher than 10% alcohols will require substantial modification to most existing California motor vehicles for acceptable emissions, performance, and fuel economy. Many aspects of using methanol and ethanol fuels, both straight and in blends, in various engine technologies are discussed.

  5. OSTI, US Dept of Energy, Office of Scientific and Technical Informatio...

    Office of Scientific and Technical Information (OSTI)

    legacy collection Topic A Unique Insight into DOE Research Accomplishments: A Special Collection by Mary Schorn 25 Aug, 2009 in Products and Content Unique and interesting insights...

  6. Better Buildings Neighborhood Program Business Models Guide: Non-Utility Program Administrator Conclusion

    Broader source: Energy.gov [DOE]

    Better Buildings Neighborhood Program Business Models Guide: Conclusion, Summary of Non-utility Program Administrator Insights.

  7. Better Buildings Neighborhood Program Business Models Guide: Retailer Business Model Conclusion

    Broader source: Energy.gov [DOE]

    Better Buildings Neighborhood Program Business Models Guide: Retailer Business Model Conclusion, Summary of Retailer Insights.

  8. Better Buildings Neighborhood Program Business Models Guide: Remodeler Business Model Conclusion

    Broader source: Energy.gov [DOE]

    Better Buildings Neighborhood Program Business Models Guide: Remodeler Business Model Conclusion, Summary of Remodeler Insights.

  9. NREL Investigates Critical Properties of Perovskite Halides Solar Cells (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2014-04-01

    Results give insight on a novel, promising class of photoactive materials for solar conversion applications.

  10. Breaking Up (Hydrogen) No Longer As Hard To Do

    Broader source: Energy.gov [DOE]

    Argonne researchers have new insight into producing pure hydrogen -- a currently expensive, but energetic, fuel source.

  11. EFFECT OF PHOTODESORPTION ON THE SNOW LINES AT THE SURFACE OF OPTICALLY THICK CIRCUMSTELLAR DISKS AROUND HERBIG Ae/Be STARS

    SciTech Connect (OSTI)

    Oka, Akinori; Nakamoto, Taishi [Department of Earth and Planetary Sciences, Tokyo Institute of Technology, Ookayama, Meguro, Tokyo 152-8551 (Japan); Inoue, Akio K. [College of General Education, Osaka Sangyo University, 3-1-1, Nakagaito, Daito, Osaka 574-8530 (Japan); Honda, Mitsuhiko, E-mail: akinoue@las.osaka-sandai.ac.jp [Department of Information Science, Kanagawa University, 2946, Tsuchiya, Hiratsuka, Kanagawa 259-1293 (Japan)

    2012-03-10

    We investigate the effect of photodesorption on the snow line position at the surface of a protoplanetary disk around a Herbig Ae/Be star, motivated by the detection of water ice particles at the surface of the disk around HD142527 by Honda et al. For this aim, we obtain the density and temperature structure in the disk with a 1+1D radiative transfer and determine the distribution of water ice particles in the disk by the balance between condensation, sublimation, and photodesorption. We find that photodesorption induced by far-ultraviolet radiation from the central star depresses the ice-condensation front toward the mid-plane and pushes the surface snow line significantly outward when the stellar effective temperature exceeds a certain critical value. This critical effective temperature depends on the stellar luminosity and mass, the water abundance in the disk, and the yield of photodesorption. We present an approximate analytic formula for the critical temperature. We separate Herbig Ae/Be stars into two groups on the HR diagram according to the critical temperature: one is the disks where photodesorption is effective and from which we may not find ice particles at the surface, and the other is the disks where photodesorption is not effective. We estimate the snow line position at the surface of the disk around HD142527 to be 100-300 AU, which is consistent with the water ice detection at >140 AU in the disk. All the results depend on the dust grain size in a complex way, and this point requires more work in the future.

  12. Registrations and vehicle miles of travel of light duty vehicles, 1985--1995

    SciTech Connect (OSTI)

    Hu, P.S.; Davis, S.C.; Schmoyer, R.L.

    1998-02-01

    To obtain vehicle registration data that consistently and accurately reflect the distinction between automobiles and light-duty trucks, Oak Ridge National Laboratory (ORNL) was asked by FHWA to estimate the current and historical vehicle registration numbers of automobiles and of other two-axle four-tire vehicles (i.e., light-duty trucks), and their associated travel. The term automobile is synonymous with passenger car. Passenger cars are defined as all sedans, coupes, and station wagons manufactured primarily for the purpose of carrying passengers. This includes taxicabs, rental cars, and ambulances and hearses on an automobile chassis. Light-duty trucks refer to all two-axle four-tire vehicles other than passenger cars. They include pickup trucks, panel trucks, delivery and passenger vans, and other vehicles such as campers, motor homes, ambulances on a truck chassis, hearses on a truck chassis, and carryalls. In this study, light-duty trucks include four major types: (1) pickup truck, (2) van, (3) sport utility vehicle, and (4) other 2-axle 4-tire truck. Specifically, this project re-estimates statistics that appeared in Tables MV-1 and MV-9 of the 1995 Highway Statistics. Given the complexity of the approach developed in this effort and the incompleteness and inconsistency of the state-submitted data, it is recommended that alternatives be considered by FHWA to obtain vehicle registration data. One alternative is the Polk`s NVPP data (via the US Department of Transportation`s annual subscription to Polk). The second alternative is to obtain raw registration files from individual states` Departments of Motor Vehicles and to decode individual VINs.

  13. Lessons Learned from the QA Summit

    Office of Environmental Management (EM)

    Table 1 Corporate Analysis of Key InsightsLessons Learned Shared During the EM QA Summit February 17, 2011 Oak Ridge, TN InsightsLessons Learned Description 1 Related...

  14. Nevada Solar Roadmapping Workshop | OpenEI Community

    Open Energy Info (EERE)

    Solar PV Market In Asia To Grow At A CAGR Of 23.7 % To 2019: Radiant Insights, Inc Global Solar Charger Industry Research Report To 2015: Radiant Insights, Inc Glass-ionomer Cement...

  15. Recent content in Solar Permitting Roadmap Development | OpenEI...

    Open Energy Info (EERE)

    Solar PV Market In Asia To Grow At A CAGR Of 23.7 % To 2019: Radiant Insights, Inc Global Solar Charger Industry Research Report To 2015: Radiant Insights, Inc Glass-ionomer Cement...

  16. California Solar Roadmapping Workshop | OpenEI Community

    Open Energy Info (EERE)

    Solar PV Market In Asia To Grow At A CAGR Of 23.7 % To 2019: Radiant Insights, Inc Global Solar Charger Industry Research Report To 2015: Radiant Insights, Inc Glass-ionomer Cement...

  17. Recent content in Renewable Energy RFPs | OpenEI Community

    Open Energy Info (EERE)

    Solar PV Market In Asia To Grow At A CAGR Of 23.7 % To 2019: Radiant Insights, Inc Global Solar Charger Industry Research Report To 2015: Radiant Insights, Inc more Group members...

  18. Savannah River Site: Plutonium Preparation Project (PuPP) at...

    Office of Environmental Management (EM)

    The Review Team thanks h m for his insights and assistance. The Review Team also ... H.Area ...... ......

  19. Better Buildings Neighborhood Program Business Models Guide: HVAC Contractor Business Model Conclusion

    Broader source: Energy.gov [DOE]

    Better Buildings Neighborhood Program Business Models Guide: HVAC Contractor Business Model Conclusion, Summary of HVAC Contractor Insights.

  20. Sandia National Laboratories: Research: Materials Science

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

    Materials Science employees and computer research Sandia excels in innovative fundamental materials science research - developing and integrating the theoretical insights,...