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Sample records for insight gi macroeconomic

  1. AEO2017 Preliminary Macroeconomic Results

    U.S. Energy Information Administration (EIA) (indexed site)

    Preliminary Macroeconomic Results For Macroeconomic Working Group July 28, 2016 | Washington, DC By Vipin Arora, Elizabeth Sendich, and Russ Tarver Macroeconomic Analysis Team Economic growth in major trading partners slows over the projection period while the dollar gradually depreciates Macroeconomic Working Group, Washington DC, July 28, 2016 2 -4.0 -3.0 -2.0 -1.0 0.0 1.0 2.0 3.0 4.0 5.0 1989 1994 1999 2004 2009 2014 2019 2024 2029 2034 2039 real trade-weighted GDP of major trading partners

  2. GI Ventures | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    Munich, Bavaria, Germany Zip: 80805 Product: Strategic Equity Partner for mid-sized enterprises and entrepreneurs. References: GI Ventures1 This article is a stub. You can help...

  3. Macroeconomic Activity Module - NEMS Documentation

    Reports and Publications

    2016-01-01

    Documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Macroeconomic Activity Module (MAM) used to develop the Annual Energy Outlook for 2016 (AEO2016). The report catalogues and describes the module assumptions, computations, methodology, parameter estimation techniques, and mainframe source code

  4. Macroeconomic Activity Module - NEMS Documentation

    Reports and Publications

    2014-01-01

    Documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Macroeconomic Activity Module (MAM) used to develop the Annual Energy Outlook for 2014 (AEO2014). The report catalogues and describes the module assumptions, computations, methodology, parameter estimation techniques, and mainframe source code

  5. Short-Term Energy Outlook Model Documentation: Macro Bridge Procedure to Update Regional Macroeconomic Forecasts with National Macroeconomic Forecasts

    Reports and Publications

    2010-01-01

    The Regional Short-Term Energy Model (RSTEM) uses macroeconomic variables such as income, employment, industrial production and consumer prices at both the national and regional1 levels as explanatory variables in the generation of the Short-Term Energy Outlook (STEO). This documentation explains how national macroeconomic forecasts are used to update regional macroeconomic forecasts through the RSTEM Macro Bridge procedure.

  6. Alternative Measures of Welfare in Macroeconomic Models

    U.S. Energy Information Administration (EIA) (indexed site)

    Alternative Measures of Welfare in Macroeconomic Models Vipin Arora December 2013 Independent Statistics & Analysis www.eia.gov U.S. Energy Information Administration Washington, DC 20585 This paper is released to encourage discussion and critical comment. The analysis and conclusions expressed here are those of the authors and not necessarily those of the U.S. Energy Information Administration. WORKING PAPER SERIES December 2013 Vipin Arora | U.S. Energy Information Administration | This

  7. Energy Production and Trade: An Overview of Some Macroeconomic...

    U.S. Energy Information Administration (EIA) (indexed site)

    Energy Production and Trade: An Overview of Some Macroeconomic Issues Vipin Arora November 2014 Independent Statistics & Analysis www.eia.gov U.S. Energy Information Administration ...

  8. Assumption to the Annual Energy Outlook 2014 - Macroeconomic...

    Annual Energy Outlook

    in this module. A detailed description of the MAM is provided in the EIA publication, Model Documentation Report: Macroeconomic Activity Module (MAM) of the National Energy...

  9. An Evaluation of Macroeconomic Models for Use at EIA

    Annual Energy Outlook

    ... For example, international macroeconomic models are often ... reader is referred to an advanced textbook on time series ...john.cochraneresearchpaperstimeseriesbook.pdf. ...

  10. GI Power Corporation Limited GIPCL | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    New Delhi, Delhi (NCT), India Zip: 110020 Sector: Wind energy Product: Delhi-based start-up wind project developer. References: GI Power Corporation Limited (GIPCL)1 This...

  11. Petroleum Data, Natural Gas Data, Coal Data, Macroeconomic Data, Petroleum Import Data

    SciTech Connect (OSTI)

    2009-01-18

    Supplemental tables to the Annual Energy Outlook (AEO) 2006 for petroleum, natural gas, coal, macroeconomic, and import data

  12. OR I GI NA L S I GNE D B Y OR I GI NA L S I GNE D B Y

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    NA L S I GNE D B Y OR I GI NA L S I GNE D B Y

  13. Macroeconomic aspects of a petroleum boom: Ecuador, 1972-1980

    SciTech Connect (OSTI)

    de la Torre, A.P.

    1987-01-01

    This dissertation analyzes Ecuador's macroeconomic experience during the period of petroleum bonanza (1972-1980). The first chapter describes salient adjustments to a booming-sector phenomenon in the context of a formal, two-sector model of a small open economy, adapted to the stylized facts of the Ecuadorean case. The remainder of the dissertation is a historical case study that reviews actual macroeconomic developments and policies in Ecuador. The review of Ecuador's experience is organized as follows. Chapter 2 analyzes the adjustments in income, absorption, and the current account to the oil boom. Chapter 3 examines the monetary implications of the sudden influx of foreign exchange and the nature of the policy responses to it. Chapter 4 turns to the fiscal and credit areas, focusing on how the boom gave rise to, on the one hand, a significant increase in the State's allocative and developmental roles and, on the other, a relaxation of domestic resource-mobilization efforts. Chapter 5 emphasizes the distinction between exposed (or traded) and sheltered (or nontraded) sectors in order to clarify the nature of the linkages between the oil boom, the real exchange-rate appreciation, and the observed pattern of change in sectoral output and employment during the 1970s.

  14. Macroeconomic consequences of energy supply shocks in Ukraine. Discussion paper

    SciTech Connect (OSTI)

    Chu, H.Q.; Grais, W.

    1994-07-01

    In exploring the short-term macroeconomic effects of energy-supply shocks in Ukraine, the paper relies on the simplifying assumption that enterprises face economic regulation but not ownership uncertainty that would adversely affect their behavior. In a sense, it assumes that Ukraine's economy is already at the second stage of reform, when ownership and contract-enforcement questions are less of an issue. Under these assumptions and if real wages are protected, the analysis yields clear messages. The conclusion is that Ukraine must clarify ownership and contract-enforcement issues as rapidly as possible, liberalize nonenergy prices at a minimum, and begin adjusting domestic energy prices to reflect the opportunity cost of these resources.

  15. The macroeconomic module of the Energy Policy Evaluation Model of Guatemala

    SciTech Connect (OSTI)

    Booth, S.R. ); Cancino, R. )

    1991-08-01

    This report describes the methodology and results of the macroeconomic module of the Energy Policy Evaluation Model of Guatemala (MEPEG). This effort was conducted jointly by the Ministry of Energy and Mines of Guatemala and Los Alamos National Laboratory under the Central American Energy and Resources Project of Los Alamos, funded by the US Agency for International Development. The data, theory, empirical specification, and simulation results of the macroeconomic module are described. 10 refs., 2 figs., 6 tabs.

  16. Methodology for the Assessment of the Macroeconomic Impacts of Stricter CAFE Standards - Addendum

    Reports and Publications

    2002-01-01

    This assessment of the economic impacts of Corporate Average Fuel Economy (CAFÉ) standards marks the first time the Energy Information Administration has used the new direct linkage of the DRI-WEFA Macroeconomic Model to the National Energy Modeling System (NEMS) in a policy setting. This methodology assures an internally consistent solution between the energy market concepts forecast by NEMS and the aggregate economy as forecast by the DRI-WEFA Macroeconomic Model of the U.S. Economy.

  17. Macroeconomic consequences of energy supply shocks in Ukraine. Studies of Economies in Transformation 12

    SciTech Connect (OSTI)

    Chu, H.Q.; Grais, W.

    1994-08-01

    Analyzes the macroeconomic implications of the economic shock the Ukraine has experienced in its transition to a market economy. This study analyzes the short-term macroeconomic implications of the energy crisis for Ukraine, the largest energy-dependent successor state of the former Soviet Union. The framework assumes, for the sake of analysis, that Ukraine`s economy is already at the second stage of reform, in which ownership and contract enforcement are an increasingly minor issue. The authors point out that the synergy between economic liberalization and adjustment to the shock allows a recovery of activity. They conclude that Ukraine should clarify as rapidly as possible ownership and contract enforcement issues, liberalize nonenergy prices, and adjust domestic energy prices to reflect the opportunity cost of using these resources elsewhere.

  18. redMaGiC. Selecting Luminous Red Galaxies from the DES Science Verification Data

    SciTech Connect (OSTI)

    Rozo, E.

    2015-07-20

    We introduce redMaGiC, an automated algorithm for selecting Luminous Red Galaxies (LRGs). The algorithm was developed to minimize photometric redshift uncertainties in photometric large-scale structure studies. redMaGiC achieves this by self-training the color-cuts necessary to produce a luminosity-thresholded LRG sam- ple of constant comoving density. Additionally, we demonstrate that redMaGiC photo-zs are very nearly as accurate as the best machine-learning based methods, yet they require minimal spectroscopic training, do not suffer from extrapolation biases, and are very nearly Gaussian. We apply our algorithm to Dark Energy Survey (DES) Science Verification (SV) data to produce a redMaGiC catalog sampling the redshift range z ϵ [0.2,0.8]. Our fiducial sample has a comoving space density of 10-3 (h-1Mpc)-3, and a median photo-z bias (zspec zphoto) and scatter (σz=(1 + z)) of 0.005 and 0.017 respectively.The corresponding 5σ outlier fraction is 1.4%. We also test our algorithm with Sloan Digital Sky Survey (SDSS) Data Release 8 (DR8) and Stripe 82 data, and discuss how spectroscopic training can be used to control photo-z biases at the 0.1% level.

  19. Model developer`s appendix to the model documentation report: NEMS macroeconomic activity module

    SciTech Connect (OSTI)

    1994-07-15

    The NEMS Macroeconomic Activity Module (MAM) tested here was used to generate the Annual Energy Outlook 1994 (AEO94). MAM is a response surface model, not a structural model, composed of three submodules: the National Submodule, the Interindustry Submodule, and the Regional Submodule. Contents of this report are as follows: properties of the mathematical solution; NEMS MAM empirical basis; and scenario analysis. Scenario analysis covers: expectations for scenario analysis; historical world oil price scenario; AEO94 high world oil price scenario; AEO94 low world oil price scenario; and immediate increase world oil price scenario.

  20. "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.

  1. Model documentation report: Macroeconomic Activity Module (MAM) of the National Energy Modeling System

    SciTech Connect (OSTI)

    Not Available

    1994-02-07

    This report documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Macroeconomic Activity Module (MAM) used to develop the Annual Energy Outlook for 1994 (AEO94). The report catalogues and describes the module assumptions, computations, methodology, parameter estimation techniques, and mainframe source code. This document serves three purposes. First, it is a reference document providing a detailed description of the NEMS MAM used for the AEO 1994 production runs for model analysts, users, and the public. Second, this report meets the legal requirement of the Energy Information Administration (EIA) to provide adequate documentation in support of its models (Public Law 94-385, section 57.b.2). Third, it facilitates continuity in model development by providing documentation from which energy analysts can undertake model enhancements, data updates, and parameter refinements as future projects.

  2. Comparison of GiBUU calculations with MiniBooNE pion production data

    SciTech Connect (OSTI)

    Lalakulich, O.; Mosel, U.

    2015-05-15

    Background: Neutrino-induced pion production can give important informationon the axial coupling to nucleon resonances. Furthermore, pion production represents a major background to quasielastic-like events. one pion production data from the MiniBooNE in charged current neutrino scattering in mineral oil appeared higher than expected within conventional theoretical approaches. Purpose: We aim to investigate which model parameters affect the calculated cross section and how they do this. Method: The Giessen Boltzmann–Uehling–Uhlenbeck (GiBUU) model is used for an investigation of neutrino-nucleus reactions. Results: Presented are integrated and differential cross sections for 1π{sup +} and 1π{sup 0} production before and after final state interactions in comparison with the MiniBooNE data. Conclusions: For the MiniBooNE flux all processes (QE, 1π-background, Δ, higher resonance production, DIS) contribute to the observed final state with one pion of a given charge. The uncertainty in elementary pion production cross sections leads to a corresponding uncertainty in the nuclear cross sections. Final state interactions change the shape of the muon-related observables only slightly, but they significantly change the shape of pion distributions.

  3. Energy Insight | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

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

  4. Global Insight Energy Group

    Gasoline and Diesel Fuel Update

    Outlook Mary Novak Managing Director IHS Global Insight Copyright © 2010 IHS Global Insight, Inc. Overview: Energy Sector Transformation Underway * The recession has hit energy demand hard, and aggregate energy demand is not expected to return to 2007 levels until 2018. * Oil and natural gas prices will both rise over the long-term, but the price trends will diverge with natural gas prices rising slowly due to the development of shale gas. * This forecast does not include a GHG cap-and-trade

  5. DE-EM-0001971 WIPP M&O G-i PART I - THE SCHEDULE SECTION G CONTRACT ADMINISTRATION DATA

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    G-i PART I - THE SCHEDULE SECTION G CONTRACT ADMINISTRATION DATA Table of Content G.1 TECHNICAL AND ADMINISTRATIVE CORRESPONDENCE/MATTERS .......... 1 G.2 DOE ORGANIZATIONAL PROPERTY MANAGEMENT OFFICER .................... 1 G.3 CONTRACTOR CONTACT ................................................................................. 2 G.4 COST REPORTING PROCEDURES................................................................... 2 DE-EM-0001971 WIPP M&O G-1 PART I - THE SCHEDULE SECTION G

  6. 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.

  7. 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.

  8. 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.

  9. Macroeconomic Activity Module

    Gasoline and Diesel Fuel Update

    of employment by industry is industrial output. Both current and lagged output values enter in the employment specification, reflecting the tendency of firms to hire employees in...

  10. Space-Time Insight | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    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...

  11. Insight Gained from Simplified Dynamic Analysis

    Energy.gov [DOE]

    Insight Gained from Simplified Dynamic Analysis ... or Everything Old is New Again October 21, 2014 Greg Mertz Consultant

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

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Insights from ribosome research Insight into Alzheimer's, cancer, anemia gleaned from ... Insight into Alzheimer's, cancer, anemia gleaned from ribosome research A groundbreaking ...

  13. Macro-Industrial Working Group: meeting 1

    U.S. Energy Information Administration (EIA) (indexed site)

    30 2013 Macroeconomic team: Kay Smith, Russ Tarver, Elizabeth Sendich and Vipin Arora Briefing on Macroeconomic Reference Case for the Annual Energy Outlook 2014 Macroeconomic/Industrial Working Group Meeting Presentation Goals * The Reference Case presented is the GI May Long-term Trend forecast. Due to the comprehensive revision of the GDP accounts, released at the end of July, we will not update the macro projection to an August baseline in order to keep on the AEO2014 schedule. The GI August

  14. Insights from UT Austin Energy Poll

    Energy.gov [DOE]

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

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

    U.S. Department of Energy (DOE) all 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. 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).

  17. AEO2017 Preliminary Macroeconomic Results

    U.S. Energy Information Administration (EIA) (indexed site)

    ... equations in the macro model. * Test the incorporation of price movements from the industrial output model into the macro model. * Test integration between the IHS macro ...

  18. Network-based Analysis and Insights | NISAC

    U.S. Department of Energy (DOE) all 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...

  19. DOE Research and Development Accomplishments Interesting Insights

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    DNA Interesting Insights Atom Neat Stuff a pre-Pong video game (Tennis for Two) Video game why dinosaurs are extinct Alvarez BuckyBall 'optical tweezers' Chu the molecule ...

  20. NREL: Technology Deployment - DGIC Interconnection Insights

    U.S. Department of Energy (DOE) all 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. Analyzing ocean mixing reveals insight on climate

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Analyzing ocean mixing reveals insight on climate Analyzing ocean mixing reveals insight on climate Los Alamos scientists have developed a computer model that clarifies the complex processes driving ocean mixing in the vast eddies that swirl across hundreds of miles of open ocean. June 24, 2015 A three-dimensional spatial structure of mixing in an idealized ocean simulation, computed using Lagrangian particle statistics. A three-dimensional spatial structure of mixing in an idealized ocean

  2. 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 ...

  3. Structural insights into electron transfer in caa[subscript 3...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Structural insights into electron transfer in caasubscript 3-type cytochrome oxidase Citation Details In-Document Search Title: Structural insights into electron ...

  4. Insights from modeling and observational evaluation of a precipitating...

    Office of Scientific and Technical Information (OSTI)

    Insights from modeling and observational evaluation of a precipitating continental cumulus event observed during the MC3E field campaign Title: Insights from modeling and ...

  5. Study Builds Knowledge of Nuclear Waste Glass, Provides Insight...

    Office of Environmental Management (EM)

    Study Builds Knowledge of Nuclear Waste Glass, Provides Insight to Facility Design Study Builds Knowledge of Nuclear Waste Glass, Provides Insight to Facility Design April 14, 2016 ...

  6. 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.

  7. 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.

  8. Enzyme Structure Provides Insights into Cancer and Aging

    U.S. Department of Energy (DOE) all 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...

  9. AVTA: 2010 Honda Insight HEV Testing Results

    Office of Energy Efficiency and Renewable Energy (EERE)

    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.

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

    Energy Savers

    Technical Report Technical Report Appendix More Documents & Publications Insights from Smart Meters: Identifying Specific Actions, Behaviors, and Characteristics That Drive Savings ...

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

    Office of Environmental Management (EM)

    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 ...

  12. Neutrons provide new insights into human cell behavior

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Neutrons provide new insights into human cell behavior Physics and biology intersect in ... are breaking new ground in cellular biology through the application of ...

  13. ALS Gives Chevron Scientists New Insights into Corrosion Resistance

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... This could yield insight into which production techniques and operating conditions will extend the life and reliability of equipment and protect the safety of workers. Better ...

  14. Bob Jaffe, Massachusetts Institute of Technology, Insights from...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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, ...

  15. Anthropogenic plutonium-244 in the environment: Insights into...

    Office of Scientific and Technical Information (OSTI)

    Anthropogenic plutonium-244 in the environment: Insights into plutonium's longest-lived isotope Citation Details In-Document Search Title: Anthropogenic plutonium-244 in the ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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 ...

  17. Microsoft Word - gorchakov-gi.doc

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... in Figures 5 and 6 for two ranges of periods. The annual cycle and its second and third harmonic make the basic contribution to the long-period variability of the aerosol content. ...

  18. The ADVANCE project: Insights and achievments

    SciTech Connect (OSTI)

    1996-12-31

    ADVANCE [Advanced Driver and Vehicle Advisory Navigation ConcEpt] was a public/private partnership conceived and developed by four founding parties. The founding parties include the Federal Highway Administration (FHWA), the Illinois Department of Transportation (IDOT), the University of Illinois at Chicago and Northwestern University operating together under the auspices of the Illinois Universities Transportation Research Consortium (IUTRC), and Motorola, Inc. The major responsibilities of each party are fully described in the Project agreement. Subsequently, these four were joined on the Steering Committee by the American Automobile Association (AAA). This unique blending of public sector, private sector and university interests, augmented by more than two dozen other private sector participants, provided a strong set of resources for ADVANCE. The ADVANCE test area covered over 300 square miles including portions of the City of Chicago and 40 northwest suburban communities. The Project encompasses the high growth areas adjacent to O`Hare International Airport, the Schaumburg/Hoffman Estates office and retail complexes, and the Lake-Cook Road development corridor. It also includes major sports and entertainment complexes such as the Arlington International Racecourse and the Rosemont Horizon. The population in the area is more than 750,000. The Insights and Perspectives Compendium is intended to provide useful information to project managers, system developers, and system integrators of future similar ITS implementations. It is intended for those that are technically interested in the ADVANCE Project and have a basic understanding of the project.

  19. Thermal Evaluation of the Honda Insight Battery Pack: Preprint

    SciTech Connect (OSTI)

    Zolot, M.D.; Kelly, K.; Keyser, M.; Mihalic, M.; Pesaran, A.; Hieronymus, A.

    2001-06-18

    The hybrid vehicle test efforts at National Renewable Energy Laboratory (NREL), with a focus on the Honda Insight's battery thermal management system, are presented. The performance of the Insight's high voltage NiMH battery pack was characterized by conducting in-vehicle dynamometer testing at Environmental Testing Corporation's high altitude dynamometer test facility, on-road testing in the Denver area, and out-of-car testing in NREL's Battery Thermal Management Laboratory. It is concluded that performance does vary considerably due to thermal conditions the pack encounters. The performance variations are due to both inherent NiMH characteristics, and the Insight's thermal management system.

  20. 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

  1. Technical Insights for Saltstone PA Maintenance

    SciTech Connect (OSTI)

    Flach, G.; Sarkar, S.; Mahadevan, S.; Kosson, D.

    2011-07-20

    compatibility with existing CBP expertise and already-planned activities. Based on these criteria, the five original topics were down-selected to two: external sulfate attack and mechanistic geochemical prediction. For each of the selected topics, the CBP communicated with the PA analysts and subject matter experts at Savannah River to acquire input data specific to the Saltstone facility and related laboratory experiments. Simulations and analyses were performed for both topics using STADIUM (SIMCO 2008), LeachXS/ORCHESTRA (ECN 2007, Meeussen 2003), and other software tools. These supplemental CBP analyses produced valuable technical insights that can be used to strengthen the Saltstone PA using the ongoing PA maintenance process. This report in part summarizes key information gleaned from more comprehensive documents prepared by Sarkar et al. (2010), Samson (2010), and Sarkar (2010).

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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. ...

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

    Open Energy Information (Open El) [EERE & EIA]

    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:...

  4. Enzyme Structure Provides Insights into Cancer and Aging

    U.S. Department of Energy (DOE) all 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...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    This Voices of Experience | Insights into Advanced Distribution Management Systems report is the result of a one-day meeting held at CenterPoint Energy in Houston, Texas, in May ...

  6. Enzyme Structure Provides Insights into Cancer and Aging

    U.S. Department of Energy (DOE) all 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...

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

    U.S. Department of Energy (DOE) all 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

  8. Nuclear magnetic resonance offers new insights into Pu 239

    U.S. Department of Energy (DOE) all 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

  9. Biochemical and Structural Insights into the Preference of Nairoviral

    Office of Scientific and Technical Information (OSTI)

    DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species (Journal Article) | SciTech Connect Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species Citation Details In-Document Search Title: Biochemical and Structural Insights into the Preference of Nairoviral DeISGylases for Interferon-Stimulated Gene Product 15 Originating from Certain Species The regulation

  10. 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

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

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Jefferson Lab holds educational, insightful science lectures in June Jefferson Lab holds 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,

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

    U.S. Department of Energy (DOE) all 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

  13. Insights into Consumer Preferences Mirrored in Powerful Solar Software

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Platforms | Department of Energy Insights into Consumer Preferences Mirrored in Powerful Solar Software Platforms Insights into Consumer Preferences Mirrored in Powerful Solar Software Platforms October 21, 2016 - 12:00pm Addthis SunShot's social sciences research is helping to explore the forces behind solar adoption in the United States. | Photo courtesy of National Renewable Energy Laboratory SunShot's social sciences research is helping to explore the forces behind solar adoption in the

  14. Supercomputing Model Provides Insights from Higher Wind and Solar

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Generation in the Eastern Power Grid | Department of Energy Supercomputing Model Provides Insights from Higher Wind and Solar Generation in the Eastern Power Grid Supercomputing Model Provides Insights from Higher Wind and Solar Generation in the Eastern Power Grid September 1, 2016 - 10:57am Addthis A new study from the Energy Department's National Renewable Energy Laboratory (NREL) used high-performance computing capabilities and innovative visualization tools to model, in unprecedented

  15. Model Documentation Report: Macroeconomic Activity Module of...

    Gasoline and Diesel Fuel Update

    are covered in order to meet client needs regarding investment and financial allocation strategies. (See Table A10.) Inflation: Inflation (VI) is modeled as a...

  16. Model Documentation Report: Macroeconomic Activity Module (MAM...

    U.S. Energy Information Administration (EIA) (indexed site)

    Activity Module (MAM) of the National Energy Modeling System May 2014 Independent Statistics & Analysis www.eia.gov U.S. Department of Energy Washington, DC 20585 U.S. Energy ...

  17. Model Documentation Report: Macroeconomic Activity Module of...

    Gasoline and Diesel Fuel Update

    of employment by industry is industry output. Both current and lagged output values enter in the employment specification, reflecting the tendency for hiring to lag output...

  18. Energy Information Administration NEMS Macroeconomic Activity...

    Gasoline and Diesel Fuel Update

    of employment by industry is industrial output. Both current and lagged output values enter in the employment specification, reflecting the tendency of firms to hire employees in...

  19. Microsoft Word - macroeconomic_aeo2012.docx

    Gasoline and Diesel Fuel Update

    Gross State Product The MAM projects regional gross regional product in real per capita terms. The equations are in log form. There is an estimated equation for each of the nine...

  20. Model Documentation Report: Macroeconomic Activity Module (MAM...

    Gasoline and Diesel Fuel Update

    Gross State Product The MAM projects regional gross regional product in real per capita terms. The equations are in log form. There is an estimated equation for each of the nine...

  1. New insights into "plant memories"

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    New insights into "plant memories" New insights into "plant memories" A special stretch of ribonucleic acid (RNA) called COOLAIR is revealing its inner structure and function to scientists, displaying a striking resemblance to an RNA molecular machine. September 21, 2016 Artist's impression of a long, non-coding RNA system. Grey/blue/red indicates main long non-coding RNA. Green, showing a second RNA interacting with long-noncoding RNA. Magenta ribbons and blue barrels

  2. Scientists gain insight on mechanism of unconventional superconductivity |

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    The Ames Laboratory Scientists gain insight on mechanism of unconventional superconductivity Researchers at Ames Laboratory and partner institutions conducted a systematic investigation into the properties of the newest family of unconventional superconducting materials, iron-based compounds. The study may help the scientific community discover new superconducting materials with unique properties. Researchers combined innovative crystal growth, highly sensitive magnetic measurements, and the

  3. 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.

  4. NREL Supercomputing Model Provides Insights from Higher Wind and Solar

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Generation in the Eastern Power Grid | Energy Systems Integration | NREL Supercomputing Model Provides Insights from Higher Wind and Solar Generation in the Eastern Power Grid NREL opens data to help planners and regulators understand implications of higher wind and solar generation August 31, 2016 A new study from the United States Department of Energy's (DOE) National Renewable Energy Laboratory (NREL) used high-performance computing capabilities and innovative visualization tools to

  5. NREL Supercomputing Model Provides Insights from Higher Wind and Solar

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Generation in the Eastern Power Grid | Grid Modernization | NREL Supercomputing Model Provides Insights from Higher Wind and Solar Generation in the Eastern Power Grid NREL opens data to help planners and regulators understand implications of higher wind and solar generation August 31, 2016 A new study from the United States Department of Energy's (DOE) National Renewable Energy Laboratory (NREL) used high-performance computing capabilities and innovative visualization tools to model, in

  6. NREL Supercomputing Model Provides Insights from Higher Wind and Solar

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Generation in the Eastern Power Grid | Solar | NREL Supercomputing Model Provides Insights from Higher Wind and Solar Generation in the Eastern Power Grid NREL opens data to help planners and regulators understand implications of higher wind and solar generation August 31, 2016 A new study from the United States Department of Energy's (DOE) National Renewable Energy Laboratory (NREL) used high-performance computing capabilities and innovative visualization tools to model, in unprecedented

  7. Mechanistic Insight into the Formation of Cationic Naked Nanocrystals

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Generated Under Equilibrium Control - Joint Center for Energy Storage Research October 24, 2014, Research Highlights Mechanistic Insight into the Formation of Cationic Naked Nanocrystals Generated Under Equilibrium Control Pre-JCESR stripping chemistries (for cationic NC): NOBF4 (strong oxidant, not suitable for many compositions, ~$600/mol) Et3OBF4 (mild, but still causes adatom desorption for some sensitive compositions, ~$800/mol) New ligand-stripping chemistry developed within JCESR:

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

    U.S. Department of Energy (DOE) all 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

  9. Ames Laboratory scientists gain insight on mechanism of unconventional

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    superconductivity | The Ames Laboratory scientists gain insight on mechanism of unconventional superconductivity Contacts: For release: Oct. 18, 2016 Ruslan Prozorov, Division of Materials Science and Engineering, (515) 294-9901 Laura Millsaps, Ames Laboratory Public Affairs (515) 294-3474 Researchers at the U.S. Department of Energy's Ames Laboratory and partner institutions conducted a systematic investigation into the properties of the newest family of unconventional superconducting

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

    U.S. Department of Energy (DOE) all 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

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

    U.S. Department of Energy (DOE) all 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

  12. NREL Supercomputing Model Provides Insights from Higher Wind and Solar

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Generation in the Eastern Power Grid - News Releases | NREL Supercomputing Model Provides Insights from Higher Wind and Solar Generation in the Eastern Power Grid NREL opens data to help planners and regulators understand implications of higher wind and solar generation August 31, 2016 NREL's David Palchak, co-author of the Eastern Renewable Generation Integration Study, examines data visualizations developed with computing resources in NREL's Energy Systems Integration Facility. NREL's

  13. Synchrotron plus Mass Spectrometer equals New Insights Into Combustion

    Office of Science (SC) [DOE]

    Chemistry | U.S. DOE Office of Science (SC) Synchrotron plus Mass Spectrometer equals New Insights Into Combustion Chemistry 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:

  14. Design Principles of Coherent Photosynthetic Energy Transport: Insights

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    from Two Dimensional Electronic Spectroscopy | MIT-Harvard Center for Excitonics Design Principles of Coherent Photosynthetic Energy Transport: Insights from Two Dimensional Electronic Spectroscopy November 10, 2009 at 3pm/36-428 Greg Engel Department of Chemistry, The James Franck Institute, University of Chicago engel abstract: Life on earth is effectively solar powered, yet how energy moves through photosynthetic complexes prior to the biochemical steps of photosynthesis is still not

  15. 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.

  16. 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...

  17. 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 ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Seaford, Delaware | Department of Energy Insight Homes, Seaford, Delaware 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 design HERS-49 homes with high-efficiency HVAC, ducts in insulated crawl spaces, raised heel trusses, dehumidifiers, and central manifold plumbing. Insight Homes: Deep Creek - Seaford, Delaware (651.43 KB) More Documents & Publications

  19. Autodesk Upgrades Insight360 with EnergyPlus Annual Energy Simulations |

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Department of Energy Autodesk Upgrades Insight360 with EnergyPlus Annual Energy Simulations Autodesk Upgrades Insight360 with EnergyPlus Annual Energy Simulations October 5, 2016 - 12:45pm Addthis Autodesk Insight360 allows architects to explore the energy impacts of different design choices as they design. Insight360 uses EnergyPlus to calculate heating and cooling loads and now provides the option of using EnergyPlus to evaluate annual energy impacts. Credit: Autodesk. Autodesk Insight360

  20. 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.

  1. 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.

  2. A Carbon Flux Super Site. New Insights and InnovativeAtmosphere...

    Office of Scientific and Technical Information (OSTI)

    A Carbon Flux Super Site. New Insights and Innovative Atmosphere-Terrestrial Carbon Exchange Measurements and Modeling Citation Details In-Document Search Title: A Carbon Flux ...

  3. 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...

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

    Office of Energy Efficiency and Renewable Energy (EERE)

    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...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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

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

    Office of Scientific and Technical Information (OSTI)

    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. ; ...

  7. 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.

  8. 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.

  9. Delivering Insight The History of the Accelerated Strategic Computing Initiative

    SciTech Connect (OSTI)

    Larzelere II, A R

    2007-01-03

    The history of the Accelerated Strategic Computing Initiative (ASCI) tells of the development of computational simulation into a third fundamental piece of the scientific method, on a par with theory and experiment. ASCI did not invent the idea, nor was it alone in bringing it to fruition. But ASCI provided the wherewithal - hardware, software, environment, funding, and, most of all, the urgency - that made it happen. On October 1, 2005, the Initiative completed its tenth year of funding. The advances made by ASCI over its first decade are truly incredible. Lawrence Livermore, Los Alamos, and Sandia National Laboratories, along with leadership provided by the Department of Energy's Defense Programs Headquarters, fundamentally changed computational simulation and how it is used to enable scientific insight. To do this, astounding advances were made in simulation applications, computing platforms, and user environments. ASCI dramatically changed existing - and forged new - relationships, both among the Laboratories and with outside partners. By its tenth anniversary, despite daunting challenges, ASCI had accomplished all of the major goals set at its beginning. The history of ASCI is about the vision, leadership, endurance, and partnerships that made these advances possible.

  10. Molecular insight into conformational transmission of human P-glycoprotein

    SciTech Connect (OSTI)

    Chang, Shan-Yan; Liu, Fu-Feng E-mail: ysun@tju.edu.cn; Dong, Xiao-Yan; Sun, Yan E-mail: ysun@tju.edu.cn

    2013-12-14

    P-glycoprotein (P-gp), a kind of ATP-binding cassette transporter, can export candidates through a channel at the two transmembrane domains (TMDs) across the cell membranes using the energy released from ATP hydrolysis at the two nucleotide-binding domains (NBDs). Considerable evidence has indicated that human P-gp undergoes large-scale conformational changes to export a wide variety of anti-cancer drugs out of the cancer cells. However, molecular mechanism of the conformational transmission of human P-gp from the NBDs to the TMDs is still unclear. Herein, targeted molecular dynamics simulations were performed to explore the atomic detail of the conformational transmission of human P-gp. It is confirmed that the conformational transition from the inward- to outward-facing is initiated by the movement of the NBDs. It is found that the two NBDs move both on the two directions (x and y). The movement on the x direction leads to the closure of the NBDs, while the movement on the y direction adjusts the conformations of the NBDs to form the correct ATP binding pockets. Six key segments (KSs) protruding from the TMDs to interact with the NBDs are identified. The relative movement of the KSs along the y axis driven by the NBDs can be transmitted through α-helices to the rest of the TMDs, rendering the TMDs to open towards periplasm in the outward-facing conformation. Twenty eight key residue pairs are identified to participate in the interaction network that contributes to the conformational transmission from the NBDs to the TMDs of human P-gp. In addition, 9 key residues in each NBD are also identified. The studies have thus provided clear insight into the conformational transmission from the NBDs to the TMDs in human P-gp.

  11. 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

  12. 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 ...

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

    Open Energy Information (Open El) [EERE & EIA]

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

    Energy.gov [DOE]

    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...

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

    Office of Scientific and Technical Information (OSTI)

    Title: New Insights into the RNA-Binding and E3 Ubiquitin Ligase Activities of Roquins Authors: Zhang, Qi ; Fan, Lixin ; Hou, Feng ; Dong, Aiping ; Wang, Yun-Xing ; Tong, Yufeng ...

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

    Office of Scientific and Technical Information (OSTI)

    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 ...

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

    Office of Scientific and Technical Information (OSTI)

    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 ...

  18. 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

  19. Insights into the structure-photoreactivity relationships in well-defined

    Office of Scientific and Technical Information (OSTI)

    perovskite ferroelectric KNbO 3 nanowires (Journal Article) | SciTech Connect Journal Article: Insights into the structure-photoreactivity relationships in well-defined perovskite ferroelectric KNbO 3 nanowires Citation Details In-Document Search Title: Insights into the structure-photoreactivity relationships in well-defined perovskite ferroelectric KNbO 3 nanowires Structure-function correlations are a central theme in heterogeneous (photo)catalysis. In this study, the geometric and

  20. Macroeconomic Activity Module of the National Energy Modeling...

    Gasoline and Diesel Fuel Update

    of employment by industry is industry output. Both current and lagged output values enter in the employment specification, reflecting the tendency for hiring to lag output...

  1. Uncertainty quantification and validation of combined hydrological and macroeconomic analyses.

    SciTech Connect (OSTI)

    Hernandez, Jacquelynne; Parks, Mancel Jordan; Jennings, Barbara Joan; Kaplan, Paul Garry; Brown, Theresa Jean; Conrad, Stephen Hamilton

    2010-09-01

    Changes in climate can lead to instabilities in physical and economic systems, particularly in regions with marginal resources. Global climate models indicate increasing global mean temperatures over the decades to come and uncertainty in the local to national impacts means perceived risks will drive planning decisions. Agent-based models provide one of the few ways to evaluate the potential changes in behavior in coupled social-physical systems and to quantify and compare risks. The current generation of climate impact analyses provides estimates of the economic cost of climate change for a limited set of climate scenarios that account for a small subset of the dynamics and uncertainties. To better understand the risk to national security, the next generation of risk assessment models must represent global stresses, population vulnerability to those stresses, and the uncertainty in population responses and outcomes that could have a significant impact on U.S. national security.

  2. Evaluation of the St. Lucia geothermal resource: macroeconomic models

    SciTech Connect (OSTI)

    Burris, A.E.; Trocki, L.K.; Yeamans, M.K.; Kolstad, C.D.

    1984-08-01

    A macroeconometric model describing the St. Lucian economy was developed using 1970 to 1982 economic data. Results of macroeconometric forecasts for the period 1983 through 1985 show an increase in gross domestic product (GDP) for 1983 and 1984 with a decline in 1985. The rate of population growth is expected to exceed GDP growth so that a small decline in per capita GDP will occur. We forecast that garment exports will increase, providing needed employment and foreign exchange. To obtain a longer-term but more general outlook on St. Lucia's economy, and to evaluate the benefit of geothermal energy development, we applied a nonlinear programming model. The model maximizes discounted cumulative consumption.

  3. Microsoft Word - macro industrial AEO2013 working group 08-02...

    Gasoline and Diesel Fuel Update

    GI's (Global Insights') long-term forecast of GDP. There was no ... of a dynamic price driver (comprised of the ... incentivize boiler fuel switching to natural gas ...

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

    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.

  5. 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.

  6. Study Builds Knowledge of Nuclear Waste Glass, Provides Insight to Facility

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Design | Department of Energy Study Builds Knowledge of Nuclear Waste Glass, Provides Insight to Facility Design Study Builds Knowledge of Nuclear Waste Glass, Provides Insight to Facility Design April 14, 2016 - 12:40pm Addthis Simulated low-activity waste is cooled in a prototypic steel container as part of ORP-sponsored testing at a Columbia, Md., facility in September 2003. Simulated low-activity waste is cooled in a prototypic steel container as part of ORP-sponsored testing at a

  7. Voices of Experience: New Guide Offers Utilities’ Insights on Engaging with Smart Grid Customers

    Energy.gov [DOE]

    The Voices of Experience | Insights on Smart Grid Customer Engagement guide builds on the knowledge shared during a series of DOE-sponsored regional peer-to-peer workshops during which utilities discussed compelling smart grid topics and issues. The guide offers practical advice and lessons learned, and showcases creative, high-impact approaches.

  8. 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.

  9. 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.

  10. Making Sustainable Energy Choices: Insights on the Energy/Water/Land Nexus (Technical Report), Analysis Insights, NREL (National Renewable Energy Laboratory)

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    TP-6A20-62566 O C T O B E R 2 0 1 4 A N A LY S I S I N S I G H T S MAKING SUSTAINABLE ENERGY CHOICES Insights on the Energy/Water/Land Nexus 2 MAKING SUSTAINABLE ENERGY CHOICES Energy heats and lights our homes, fuels our vehicles, and powers our businesses and factories. Affordable, reliable energy underpins the economy, security, and our quality of life. Meanwhile, growing global populations and economic development are increasing demand for energy around the world, and climate change is

  11. Managing aging in nuclear power plants: Insights from NRC`s Maintenance Team Inspection reports

    SciTech Connect (OSTI)

    Fresco, A.; Subudhi, M.

    1992-12-31

    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 sixty-seven of the reports issued on these in-depth team inspections have been 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 structures, systems, and components (SSCs). Relevant information has been extracted from these inspection reports 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.

  12. Managing aging in nuclear power plants: Insights from NRC's Maintenance Team Inspection reports

    SciTech Connect (OSTI)

    Fresco, A.; Subudhi, M.

    1992-01-01

    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 sixty-seven of the reports issued on these in-depth team inspections have been 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 structures, systems, and components (SSCs). Relevant information has been extracted from these inspection reports 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.

  13. 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.

  14. Structural Insight into the Regulation of the SNARE Assembly by the Cell

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Polarity Protein Sro7 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 different membrane identities. For example, in the cells that line the intestine, the membrane that faces the space in the gut has special proteins responsible for uptake of nutrients, whereas the sides that contact neighboring cells have different proteins on their surfaces. Cell polarity is

  15. Structure of an Unusually Small RNA Switch Provides Insight into the

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Minimal Requirements for Microbial Gene Regulation Structure of an Unusually Small RNA Switch Provides Insight into the Minimal Requirements for Microbial Gene Regulation The emergence of drug-resistant microbes represents a major impediment in the treatment of bacterial infections. Resistance to first-choice drugs has become problematic for respiratory infections, AIDS, tuberculosis, malaria and diarrheal diseases, which are top killers among infectious agents. When second- and third-choice

  16. Hunting for Big Bang neutrinos that could provide fresh insight on the

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    origin of the universe | Princeton Plasma Physics Lab Hunting for Big Bang neutrinos that could provide fresh insight on the origin of the universe Like "detecting a heartbeat in an arena" full of people By John Greenwald March 11, 2016 Tweet Widget Google Plus One Share on Facebook Princeton physicist Chris Tully in the PTOLEMY laboratory. Behind him are powerful superconducting magnets on either side of the vacuum chamber. (Photo by Elle Starkman/Office of Communications)

  17. MMCR Spectra-based Hydrometeor Phase Classifier: Evaluation & New Insights

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    MMCR Spectra-based Hydrometeor Phase Classifier: Evaluation & New Insights Edward Luke 1 , Pavlos Kollias 1 , Matthew Shupe 2 1. Brookhaven National Laboratory 2. CIRES/NOAA/ETL Predicting HSRL depolarization with MMCR classifier Actual Depolarization Predicted Depolarization How accurately can combined HSRL, MMCR, MWR, and radiosonde generate the "golden" phase retrievals needed to train an MMCR-only classifier? For further discussion see Shupe, 2007. How well can the MMCR-only

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

    Energy.gov [DOE]

    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 reduction program, as well as integrating behavior-based strategies into residential incentive-based DR programs and time-based retail rates as a way to augment peak-hour energy savings.

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

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Surface Chemistry and Implications for Water Purification 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 variety of water purification operations. Researchers have investigated carbon materials as adsorbents for decades, but only limited information on the precise details of aqueous ion interactions with carbon surfaces has been uncovered. It is empirically known

  20. Interview with Dr. William F. Brinkman offers insights on Energy Department

    Office of Scientific and Technical Information (OSTI)

    directions, R&D | OSTI, US Dept of Energy Office of Scientific and Technical Information Interview with Dr. William F. Brinkman offers insights on Energy Department directions, R&D Back to the OSTI News Listing for 2012 In its "Trailblazers of North American Research" edition, International Innovation explores a spectrum of groundbreaking research and development activities, including those at the nation's largest supporter of basic research in the physical sciences - the

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

    Office of Science (SC) [DOE]

    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

  2. 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.

  3. 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

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

    DOE PAGES-Beta [OSTI]

    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.

  5. Hunting for Big Bang neutrinos that could provide fresh insight on the

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    origin of the universe | Princeton Plasma Physics Lab Hunting for Big Bang neutrinos that could provide fresh insight on the origin of the universe Like "detecting a heartbeat in an arena" full of people By John Greenwald March 14, 2016 Tweet Widget Google Plus One Share on Facebook Chris Tully in the PTOLEMY laboratory. Behind him are powerful superconducting magnets on either side of the vacuum chamber. (Photo by Elle Starkman/Office of Communications) Chris Tully in the PTOLEMY

  6. Development of Sulfur and Carbon Tolerant Reforming Alloy Catalysts Aided Fundamental Atomistic Insights

    SciTech Connect (OSTI)

    Suljo Linic

    2008-12-31

    Current hydrocarbon reforming catalysts suffer from rapid carbon and sulfur poisoning. Even though there is a tremendous incentive to develop more efficient catalysts, these materials are currently formulated using inefficient trial and error experimental approaches. We have utilized a hybrid experimental/theoretical approach, combining quantum Density Functional Theory (DFT) calculations and various state-of-the-art experimental tools, to formulate carbon tolerant reforming catalysts. We have employed DFT calculations to develop molecular insights into the elementary chemical transformations that lead to carbon poisoning of Ni catalysts. Based on the obtained molecular insights, we have identified, using DFT quantum calculation, various Ni alloy catalysts as potential carbon tolerant reforming catalysts. The alloy catalysts were synthesized and tested in steam reforming and partial oxidation of methane, propane, and isooctane. We demonstrated that the alloy catalysts are much more carbon-tolerant than monometallic Ni catalysts under nearly stoichiometric steam-to-carbon ratios. Under these conditions, monometallic Ni is rapidly poisoned by sp2 carbon deposits. The research approach is distinguished by two characteristics: (a) knowledge-based, bottomup approach, compared to the traditional trial and error approach, allows for a more efficient and systematic discovery of improved catalysts. (b) the focus is on exploring alloy materials which have been largely unexplored as potential reforming catalysts.

  7. Development of Sulfur and Carbon Tolerant Reforming Alloy Catalysts Aided by Fundamental Atomistics Insights

    SciTech Connect (OSTI)

    Suljo Linic

    2006-08-31

    Current hydrocarbon reforming catalysts suffer from rapid carbon and sulfur poisoning. Even though there is a tremendous incentive to develop more efficient catalysts, these materials are currently formulated using inefficient trial and error experimental approaches. We have utilized a novel hybrid experimental/theoretical approach, combining quantum Density Functional Theory (DFT) calculations and various state-of-the-art experimental tools, to formulate carbon tolerant reforming catalysts. We have employed DFT calculations to develop molecular insights into the elementary chemical transformations that lead to carbon poisoning of Ni catalysts. Based on the obtained molecular insights, we have identified, using DFT quantum calculation, Sn/Ni alloy as a potential carbon tolerant reforming catalyst. Sn/Ni alloy was synthesized and tested in steam reforming of methane, propane, and isooctane. We demonstrated that the alloy catalyst is carbon-tolerant under nearly stoichiometric steam-to-carbon ratios. Under these conditions, monometallic Ni is rapidly poisoned by sp2 carbon deposits. The research approach is distinguished by a few characteristics: (a) Knowledge-based, bottom-up approach, compared to the traditional trial and error approach, allows for a more efficient and systematic discovery of improved catalysts. (b) The focus is on exploring alloy materials which have been largely unexplored as potential reforming catalysts.

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

    DOE PAGES-Beta [OSTI]

    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

  9. 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.

  10. Single-ion hydration thermodynamics from clusters to bulk solutions: Recent insights from molecular modeling

    DOE PAGES-Beta [OSTI]

    Vlcek, Lukas; Chialvo, Ariel A.

    2016-01-03

    The importance of single-ion hydration thermodynamic properties for understanding the driving forces of aqueous electrolyte processes, along with the impossibility of their direct experimental measurement, have prompted a large number of experimental, theoretical, and computational studies aimed at separating the cation and anion contributions. Here we provide an overview of historical approaches based on extrathermodynamic assumptions and more recent computational studies of single-ion hydration in order to evaluate the approximations involved in these methods, quantify their accuracy, reliability, and limitations in the light of the latest developments. Finally, we also offer new insights into the factors that influence the accuracymore » of ion–water interaction models and our views on possible ways to fill this substantial knowledge gap in aqueous physical chemistry.« less

  11. Chemical speciation by NEXAFS spectromicroscopy: Insights from molecular modeling of polymers

    SciTech Connect (OSTI)

    Urquhart, S.G.; Hitchcock, A.P.; Rightor, E.G.; Smith, A.P.; Ade, H.

    1996-12-31

    Near Edge X-ray Absorption Fine Structure (NEXFAS) spectroscopy of polymers performed in a scanning transmission X-ray microscope (STXM) can provide chemical speciation with < 0.1 {micro}m spatial resolution in imaging mode. The core excitation spectra of molecular compounds that are structural analogues of polymers help interpret the NEXAFS spectra of polymers. The effect of {pi}-delocalization on polymer NEXAFS is discussed and illustrated by comparison to molecular spectra. Extended Hueckel calculations are particularly useful for providing insight into the relationship between chemical structure and the molecular and polymer spectra. The authors report the interpretation of experimental NEXAFS spectra of polyethylene terephthalate (PET). Molecular models indicate that NEXAFS will be sensitive to structural isomerization in polyester polymers. They demonstrate the capability of NEXAFS to distinguish hard-segment and soft-segment phase segregation in polyurethanes.

  12. 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.

  13. New experimental capabilities and theoretical insights of high pressure compression waves

    SciTech Connect (OSTI)

    Orlikowski, D; Nguyen, J; Patterson, J R; Minich, R; Martin, L P; Holmes, N

    2007-07-20

    Currently there are three platforms that offer quasi-isentropic compression or ramp-wave compression (RWC): light-gas gun, magnetic flux (Z-pinch), and laser. We focus here on the light-gas gun technique and on some current theoretical insights from experimental data. A gradient impedance through the length of the impactor provides the pressure pulse upon impactor to the subject material. Applications and results are given concerning high-pressure strength and liquid to solid, phase transition of water plus its associated phase fraction history. We also introduce the Korteweg-deVries-Burgers equation as a means to understand the evolution these RWC waves that propagate through the thickness of the subject material. This equation has the necessary competition between non-linear, dispersion, and dissipation processes, which is shown through observed structures that are manifested in the experimental particle velocity histories. Such methodology points towards a possible quantifiable dissipation, through which RWC experiments may be analyzed.

  14. Observations and insights into Pb-assisted stress corrosion cracking of alloy 600 steam generator tubes

    SciTech Connect (OSTI)

    Thomas, L.; Bruemmer, Stephen M.

    2005-08-15

    Pb-assisted stress-corrosion cracking (PbSCC) of Alloy 600 steam-generator tubing in high-temperature-water service and laboratory tests were studied by analytical transmission electron microscopy of cross-sectioned samples. Examinations of pulled tubes from many pressurized water reactors revealed lead in cracks from 11 of 17 samples. Comparisons of the degraded intergranular structures with ones produced in simple laboratory tests with PbO in near-neutral AVT water showed that the PbSCC characteristics in service tubing could be reproduced without complex chemistries and heat-flow conditions that can occur during plant operation. Observations of intergranular and transgranular cracks promoted by Pb in the test samples also provided new insights into the mechanisms of PbSCC in mill-annealed and thermally treated Alloy 600.

  15. 2010 Honda Insight VIN 0141 Hybrid Electric Vehicle Battery Test Results

    SciTech Connect (OSTI)

    Tyler Gray

    2013-01-01

    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 2010 Honda Insight HEV (VIN: JHMZE2H78AS010141). 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 Advanced Vehicle Testing Activity for the Vehicle Technologies Program of the U.S. Department of Energy.

  16. 2010 Honda Insight VIN 1748 Hybrid Electric Vehicle Battery Test Results

    SciTech Connect (OSTI)

    Tyler Gray; Matthew Shirk

    2013-01-01

    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 2010 Honda Insight HEV (VIN: JHMZE2H59AS011748). 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 Advanced Vehicle Testing Activity for the Vehicle Technologies Program of the U.S. Department of Energy.

  17. OR I GI N A L S I GN E D B Y OR I GI N A L S I GN E D B Y

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    CONTINATION HEETIREFERENCE NO. OF DOCUMENT BEING CONTINUED AEO COTIUTINS IE DE-AC27-08RV14800/071 2AG OF NAME OF OFFEROR OR CONTRACTOR WASHINGTON RIVER PROTECTION SOLUTIONS LLC ITEM NO. SUPPLIES/SERVICES QUANTITY UNIT UNIT PRICE AMOUNT (A) (B) (C) (D) (E) (F) Account code: De-obligating TDD funds for Fluidized Bed Steam Reforming Treatability Fund 01250 Appr Year 2010 Ailottee 34 Reporting Entity 421301 Object Ciass 25200 Program 1111412 Project 0004263 WFO 0000000 Local Use 0000000 Amount:

  18. OR I GI N A L S I GN E D B Y OR I GI N A L S I GN E D B Y

    U.S. Department of Energy (DOE) all webpages (Extended Search)

  19. OR I GI N A L S I GN E D B Y OR I GI N A L S I GN...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... during caustic leaching process and never re-precipitates ... the speciation of aluminum in saltcake and sludges ... Section J.4, Attachment 2 Page 78 Tank Operations Contract ...

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

    DOE PAGES-Beta [OSTI]

    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

  1. Transcriptome Analysis of Manganese-deficient Chlamydomonas reinhardtii Provides Insight on the Chlorophyll Biosynthesis Pathway

    SciTech Connect (OSTI)

    Lockhart, Ainsley; Zvenigorodsky, Natasha; Pedraza, Mary Ann; Lindquist, Erika

    2011-08-11

    The biosynthesis of chlorophyll and other tetrapyrroles is a vital but poorly understood process. Recent genomic advances with the unicellular green algae Chlamydomonas reinhardtii have created opportunity to more closely examine the mechanisms of the chlorophyll biosynthesis pathway via transcriptome analysis. Manganese is a nutrient of interest for complex reactions because of its multiple stable oxidation states and role in molecular oxygen coordination. C. reinhardtii was cultured in Manganese-deplete Tris-acetate-phosphate (TAP) media for 24 hours and used to create cDNA libraries for sequencing using Illumina TruSeq technology. Transcriptome analysis provided intriguing insight on possible regulatory mechanisms in the pathway. Evidence supports similarities of GTR (Glutamyl-tRNA synthase) to its Chlorella vulgaris homolog in terms of Mn requirements. Data was also suggestive of Mn-related compensatory up-regulation for pathway proteins CHLH1 (Manganese Chelatase), GUN4 (Magnesium chelatase activating protein), and POR1 (Light-dependent protochlorophyllide reductase). Intriguingly, data suggests possible reciprocal expression of oxygen dependent CPX1 (coproporphyrinogen III oxidase) and oxygen independent CPX2. Further analysis using RT-PCR could provide compelling evidence for several novel regulatory mechanisms in the chlorophyll biosynthesis pathway.

  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. Dispersion of nanocrystalline Fe3O4 within composite electrodes: Insights on battery-related electrochemistry

    DOE PAGES-Beta [OSTI]

    David C. Bock; Takeuchi, Kenneth J.; Pelliccione, Christopher J.; Zhang, Wei; Wang, Jiajun; Knehr, K. W.; Wang, Jun; Wang, Feng; West, Alan C.; Marschilok, Amy C.; et al

    2016-04-20

    Aggregation of nanosized materials in composite lithium-ion-battery electrodes can be a significant factor influencing electrochemical behavior. In this study, aggregation was controlled in magnetite, Fe3O4, composite electrodes via oleic acid capping and subsequent dispersion in a carbon black matrix. A heat treatment process was effective in the removal of the oleic acid capping agent while preserving a high degree of Fe3O4 dispersion. Electrochemical testing showed that Fe3O4 dispersion is initially beneficial in delivering a higher functional capacity, in agreement with continuum model simulations. However, increased capacity fade upon extended cycling was observed for the dispersed Fe3O4 composites relative to themore » aggregated Fe3O4 composites. X-ray absorption spectroscopy measurements of electrodes post cycling indicated that the dispersed Fe3O4 electrodes are more oxidized in the discharged state, consistent with reduced reversibility compared with the aggregated sample. Higher charge-transfer resistance for the dispersed sample after cycling suggests increased surface-film formation on the dispersed, high-surface-area nanocrystalline Fe3O4 compared to the aggregated materials. Furthermore, this study provides insight into the specific effects of aggregation on electrochemistry through a multiscale view of mechanisms for magnetite composite electrodes.« less

  5. 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.

  6. 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.

  7. Atomistic Insights Into the Oriented Attachment of Tunnel-Based Oxide Nanostructures

    SciTech Connect (OSTI)

    Yuan, Yifei; Wood, Stephen M; He, Kun; Yao, Wentao; Tompsett, David; Lu, Jun; Nie, Anmin; Islam, M. Saiful; Shahbazian-Yassar, Reza

    2016-01-01

    Controlled synthesis of nanomaterials is one of the grand challenges facing materials scientists. In particular, how tunnel-based nanomaterials aggregate during synthesis while maintaining their well-aligned tunneled structure is not fully understood. Here, we describe the atomistic mechanism of oriented attachment (OA) during solution synthesis of tunneled α-MnO2 nanowires based on a combination of in situ liquid cell transmission electron microscopy (TEM), aberration-corrected scanning TEM with subangstrom spatial resolution, and first-principles calculations. It is found that primary tunnels (1 × 1 and 2 × 2) attach along their common {110} lateral surfaces to form interfaces corresponding to 2 × 3 tunnels that facilitate their short-range ordering. The OA growth of α-MnO2 nanowires is driven by the stability gained from elimination of {110} surfaces and saturation of Mn atoms at {110}-edges. During this process, extra [MnOx] radicals in solution link the two adjacent {110} surfaces and bond with the unsaturated Mn atoms from both surface edges to produce stable nanowire interfaces. Our results provide insights into the controlled synthesis and design of nanomaterials in which tunneled structures can be tailored for use in catalysis, ion exchange, and energy storage applications.

  8. Crystal structure of Manduca sexta prophenoloxidase provides insights into the mechanism of type 3 copper enzymes

    SciTech Connect (OSTI)

    Li, Yongchao; Wang, Yang; Jiang, Haobo; Deng, Junpeng

    2010-02-22

    Arthropod phenoloxidase (PO) generates quinones and other toxic compounds to sequester and kill pathogens during innate immune responses. It is also involved in wound healing and other physiological processes. Insect PO is activated from its inactive precursor, prophenoloxidase (PPO), by specific proteolysis via a serine protease cascade. Here, we report the crystal structure of PPO from a lepidopteran insect at a resolution of 1.97 {angstrom}, which is the initial structure for a PPO from the type 3 copper protein family. Manduca sexta PPO is a heterodimer consisting of 2 homologous polypeptide chains, PPO1 and PPO2. The active site of each subunit contains a canonical type 3 di-nuclear copper center, with each copper ion coordinated with 3 structurally conserved histidines. The acidic residue Glu-395 located at the active site of PPO2 may serve as a general base for deprotonation of monophenolic substrates, which is key to the ortho-hydroxylase activity of PO. The structure provides unique insights into the mechanism by which type 3 copper proteins differ in their enzymatic activities, albeit sharing a common active center. A drastic change in electrostatic surface induced on cleavage at Arg-51 allows us to propose a model for localized PPO activation in insects.

  9. The electronic characterization of biphenylene—Experimental and theoretical insights from core and valence level spectroscopy

    SciTech Connect (OSTI)

    Lüder, Johann; Sanyal, Biplab; Eriksson, Olle; Brena, Barbara; Puglia, Carla; Simone, Monica de; Totani, Roberta; Coreno, Marcello; Grazioli, Cesare

    2015-02-21

    In this paper, we provide detailed insights into the electronic structure of the gas phase biphenylene molecule through core and valence spectroscopy. By comparing results of X-ray Photoelectron Spectroscopy (XPS) measurements with ΔSCF core-hole calculations in the framework of Density Functional Theory (DFT), we could decompose the characteristic contributions to the total spectra and assign them to non-equivalent carbon atoms. As a difference with similar molecules like biphenyl and naphthalene, an influence of the localized orbitals on the relative XPS shifts was found. The valence spectrum probed by photoelectron spectroscopy at a photon energy of 50 eV in conjunction with hybrid DFT calculations revealed the effects of the localization on the electronic states. Using the transition potential approach to simulate the X-ray absorption spectroscopy measurements, similar contributions from the non-equivalent carbon atoms were determined from the total spectrum, for which the slightly shifted individual components can explain the observed asymmetric features.

  10. Insights on dramatic radial fluctuations in track formation by energetic ions

    DOE PAGES-Beta [OSTI]

    Sachan, Ritesh; Lang, Maik; Trautmann, Christina; Zhang, Yanwen; Chisholm, Matthew F.; Weber, William J.; Zarkadoula, Eva

    2016-06-02

    We discuss the insights on the unexpected dramatic radial variations in the ion tracks formed by energetic ion (2.3 GeV 208Pb) irradiation at a constant electronic energy-loss (~42 keV/nm) in pyrochlore structured Gd2TiZrO7. Though previous studies have shown track formation and average track diameter measurements, this work brings further clarity on why quantitative analysis of ion track formation in Gd2TixZr(1-x)O7 systems can be more complicated than the currently accepted behavior for ion tracks. The ion track profile is usually considered to be diametrically uniform at constant values of the electronic energy-loss. This study shows the diameter variations to be asmore » large as ~40% within an extremely short incremental track length of ~20 nm. Our molecular dynamics simulations show that these fluctuations in diameter of amorphous core and overall track diameter are attributed to (i) the stochastic nature of inelastic energy loss along the track and (ii) the random substitution of Ti atoms by Zr atoms on the B-site in the pyrochlore lattice. Furthermore, the partial substitution of Ti by Zr increases the favorability of the defect-fluorite structure formation over amorphous phase stochastically, by introducing localized inhomogeneity in atomic structure, density and strain.« less

  11. Mineral carbonation: energy costs of pretreatment options and insights gained from flow loop reaction studies

    SciTech Connect (OSTI)

    Penner, Larry R.; O'Connor, William K.; Dahlin, David C.; Gerdemann, Stephen J.; Rush, Gilbert E.

    2004-01-01

    Sequestration of carbon as a stable mineral carbonate has been proposed to mitigate environmental concerns that carbon dioxide may with time escape from its sequestered matrix using alternative sequestration technologies. A method has been developed to prepare stable carbonate products by reacting CO2 with magnesium silicate minerals in aqueous bicarbonate/chloride media at high temperature and pressure. Because this approach is inherently expensive due to slow reaction rates and high capital costs, studies were conducted to improve the reaction rates through mineral pretreatment steps and to cut expenses through improved reactor technology. An overview is given for the estimated cost of the process including sensitivity to grinding and heating as pretreatment options for several mineral feedstocks. The energy costs are evaluated for each pretreatment in terms of net carbon avoided. New studies with a high-temperature, high-pressure flow-loop reactor have yielded information on overcoming kinetic barriers experienced with processing in stirred autoclave reactors. Repeated tests with the flow-loop reactor have yielded insights on wear and failure of system components, on challenges to maintain and measure flow, and for better understanding of the reaction mechanism.

  12. Generic risk insights for Westinghouse and Combustion Engineering pressurized water reactors

    SciTech Connect (OSTI)

    Travis, R.; Taylor, J.; Fresco, A. ); Chung, J. )

    1990-11-01

    A methodology has been developed to extract generic risk-based information from probabilistic risk assessments (PRAs) of Westinghouse and Combustion Engineering (CE) pressurized water reactors (PWRs) and apply the insights gained to Westinghouse and Ce plants have not been subjected to a PRA. The available PRAs (five Westinghouse plants and one CE plant) were examined to identify the most probable, i.e., dominant accident sequences at each plant. The goal was to include all sequences which represented at least 80% of core damage frequency. If the same plant specific dominant accident sequence appeared within this boundary in at least two plant PRAs, the sequence was considered to be a representative sequence. Eleven sequences met this definition. From these sequences, the most important component failures and human errors that contributed to each sequence have been prioritized. Guidance is provided to prioritize the representative sequences and modify selected basic events that have been shown to be sensitive to the plant specific design or operating variations of the contributing PRAs. This risk-based guidance can be used for utility and NRC activities including operator training maintenance, design review, and inspections.

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

    DOE PAGES-Beta [OSTI]

    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

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

    DOE PAGES-Beta [OSTI]

    Everett, S. Michelle; Rawn, Claudia J.; Chakoumakos, Bryan C.; Keffer, David J.; Huq, Ashfia; Phelps, Tommy J.

    2015-05-12

    The exchange of carbon dioxide for methane in natural gas hydrates is an attractive approach to harvesting CH4 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. In this paper, 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 thatmore » 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. Finally, these results provide important insights on the impact and mechanisms for the structure of mixed CH4/CO2 gas hydrate.« less

  15. 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 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, 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.

  16. Insights into the physical chemistry of materials from advances in HAADF-STEM

    DOE PAGES-Beta [OSTI]

    Sohlberg, Karl; Pennycook, Timothy J.; Zhou, Wu; Pennycook, Stephen J.

    2014-11-13

    The observation that, ‘‘New tools lead to new science’’[P. S. Weiss, ACS Nano., 2012, 6(3), 1877–1879], is perhaps nowhere more evident than in scanning transmission electron microscopy (STEM). Advances in STEM have endowed this technique with several powerful and complimentary capabilities. For example, the application of high-angle annular dark-field imaging has made possible real-space imaging at subangstrom resolution with Z-contrast (Z = atomic number). Further advances have wrought: simultaneous real-space imaging and elemental identification by using electron energy loss spectroscopy (EELS); 3-dimensional (3D) mapping by depth sectioning; monitoring of surface diffusion by time-sequencing of images; reduced electron energy imaging formore » probing graphenes; etc. In this paper we review how these advances, often coupled with first-principles theory, have led to interesting and important new insights into the physical chemistry of materials. We then review in detail a few specific applications that highlight some of these STEM capabilities.« less

  17. 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.

  18. 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.

  19. 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.

  20. Time-Resolved In Situ Measurements During Rapid Alloy Solidification: Experimental Insight for Additive Manufacturing

    DOE PAGES-Beta [OSTI]

    McKeown, Joseph T.; Zweiacker, Kai; Liu, Can; Coughlin, Daniel R.; Clarke, Amy J.; Baldwin, J. Kevin; Gibbs, John W.; Roehling, John D.; Imhoff, Seth D.; Gibbs, Paul J.; et al

    2016-01-27

    In research and industrial environments, additive manufacturing (AM) of metals and alloys is becoming a pervasive technology, though significant challenges remain before widespread implementation of AM can be realized. In situ investigations of rapid alloy solidification with high spatial and temporal resolutions can provide unique experimental insight into microstructure evolution and kinetics that are relevant for AM processing. Hypoeutectic thin-film Al–Cu and Al–Si alloys were investigated using dynamic transmission electron microscopy to monitor pulsed-laser-induced rapid solidification across microsecond timescales. Solid–liquid interface velocities measured from time-resolved images revealed accelerating solidification fronts in both alloys. We observed microstructure evolution, solidification product, andmore » presence of a morphological instability at the solid–liquid interface in the Al–4 at.%Cu alloy are related to the measured interface velocities and small differences in composition that affect the thermophysical properties of the alloys. These time-resolved in situ measurements can inform and validate predictive modeling efforts for AM.« less

  1. 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

  2. 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.

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

    DOE PAGES-Beta [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 Mcm2–7 (minichromosome maintenance proteins 2–7) double hexamer. During S phase, each Mcm2–7 hexamer forms the core of a replicative DNA helicase. However, the mechanisms 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 Cdt1 release and ORC–Cdc6–Mcm2–7 complex formation, but how the second Mcm2–7 hexamer is recruited to promote double-hexamer formation is not well understood. Here, structural evidence for intermediates consisting of an ORC–Cdc6–Mcm2–7 complex andmore » an ORC–Cdc6–Mcm2–7–Mcm2–7 complex are reported, which together provide new insights into DNA licensing. Detailed structural analysis of the loaded Mcm2–7 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 Mcm2–7 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.« less

  4. Electric Field Effects on the Intermolecular Interactions in Water Whiskers: Insight from Structures, Energetics, and Properties

    SciTech Connect (OSTI)

    Bai, Yang; He, Hui-Min; Li, Ying; Zhou, Zhong-Jun; Wang, Jia-Jun; Wu, Di; Chen, Wei; Gu, Feng-Long; Sumpter, Bobby G.; Huang, Jingsong

    2015-02-19

    Modulation of intermolecular interactions in response to external electric fields could be fundamental to the formation of unusual forms of water, such as water whiskers. However, a detailed understanding of the nature of intermolecular interactions in such systems is lacking. In this study, we present novel theoretical results based on electron correlation calculations regarding the nature of H-bonds in water whiskers, which is revealed by studying their evolution under external electric fields with various field strengths. We find that the water whiskers consisting of 2-7 water molecules all have a chain-length dependent critical electric field. Under the critical electric field, the most compact chain structures are obtained, featuring very strong H-bonds, herein referred to as covalent H-bonds. In the case of a water dimer whisker, the bond length of the novel covalent H-bond shortens by 25%, the covalent bond order increases by 9 times, and accordingly the H-bond energy is strengthened by 5 times compared to the normal H-bond in a (H2O)2 cluster. Below the critical electric field, it is observed that with increasing field strength, H-bonding orbitals display gradual evolutions in the orbital energy, orbital ordering, and orbital nature (i.e., from typical -style orbital to unusual -style double H-bonding orbital). We also show that beyond the critical electric field, a single water whisker may disintegrate to form a loosely bound zwitterionic chain due to a relay-style proton transfer, whereas two water whiskers may undergo intermolecular cross-linking to form a quasi-two-dimensional water network. In conclusion, these results help shed new insight on the effects of electric fields on water whisker formation.

  5. Electric Field Effects on the Intermolecular Interactions in Water Whiskers: Insight from Structures, Energetics, and Properties

    DOE PAGES-Beta [OSTI]

    Bai, Yang; He, Hui-Min; Li, Ying; Zhou, Zhong-Jun; Wang, Jia-Jun; Wu, Di; Chen, Wei; Gu, Feng-Long; Sumpter, Bobby G.; Huang, Jingsong

    2015-02-19

    Modulation of intermolecular interactions in response to external electric fields could be fundamental to the formation of unusual forms of water, such as water whiskers. However, a detailed understanding of the nature of intermolecular interactions in such systems is lacking. In this study, we present novel theoretical results based on electron correlation calculations regarding the nature of H-bonds in water whiskers, which is revealed by studying their evolution under external electric fields with various field strengths. We find that the water whiskers consisting of 2-7 water molecules all have a chain-length dependent critical electric field. Under the critical electric field,more » the most compact chain structures are obtained, featuring very strong H-bonds, herein referred to as covalent H-bonds. In the case of a water dimer whisker, the bond length of the novel covalent H-bond shortens by 25%, the covalent bond order increases by 9 times, and accordingly the H-bond energy is strengthened by 5 times compared to the normal H-bond in a (H2O)2 cluster. Below the critical electric field, it is observed that with increasing field strength, H-bonding orbitals display gradual evolutions in the orbital energy, orbital ordering, and orbital nature (i.e., from typical -style orbital to unusual -style double H-bonding orbital). We also show that beyond the critical electric field, a single water whisker may disintegrate to form a loosely bound zwitterionic chain due to a relay-style proton transfer, whereas two water whiskers may undergo intermolecular cross-linking to form a quasi-two-dimensional water network. In conclusion, these results help shed new insight on the effects of electric fields on water whisker formation.« less

  6. 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 Mcm2–7 (minichromosome maintenance proteins 2–7) double hexamer. During S phase, each Mcm2–7 hexamer forms the core of a replicative DNA helicase. However, the mechanisms 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 Cdt1 release and ORC–Cdc6–Mcm2–7 complex formation, but how the second Mcm2–7 hexamer is recruited to promote double-hexamer formation is not well understood. Here, structural evidence for intermediates consisting of an ORC–Cdc6–Mcm2–7 complex and an ORC–Cdc6–Mcm2–7–Mcm2–7 complex are reported, which together provide new insights into DNA licensing. Detailed structural analysis of the loaded Mcm2–7 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 Mcm2–7 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.

  7. 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

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

    SciTech Connect (OSTI)

    Sun, Jingchuan [Brookhaven National Laboratory (BNL), Upton, NY (United States); Li, Huilin [Brookhaven National Laboratory (BNL), Upton, NY (United States); Stony Brook Univ., Stony Brook, NY (United States); Fernandez-Cid, Alejandra [Imperial College Faculty of Medicine, London (United Kingdom). DNA Replication Group; Riera, Alberto [Imperial College Faculty of Medicine, London (United Kingdom). MRC Clinical Sciences Centre; Tognetti, Sivia [Imperial College Faculty of Medicine, London (United Kingdom). MRC Clinical Sciences Centre; Yuan, Zuanning [Stony Brook Univ., Stony Brook, NY (United States); Stillman, Bruce [Cold Spring Harbor Lab., NY (United States); Speck, Christian [Imperial College Faculty of Medicine, London (United Kingdom). DNA Replication Group

    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.

  9. 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

  10. 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

  11. Insights to Superconducting Radio-Frequency Cavity Processing from First Principles Calculations and Spectroscopic Techniques

    SciTech Connect (OSTI)

    Ford, Denise Christine

    2013-03-01

    Insights to the fundamental processes that occur during the manufacturing of niobium superconducting radio-frequency (SRF) cavities are provided via analyses of density functional theory calculations and Raman, infrared, and nuclear magnetic resonance (NMR) spectra. I show that during electropolishing fluorine is bound and released by the reaction of the acid components in the solution: HF + H2SO4 <-> HFSO3 + H2O. This result implies that new recipes can possibly be developed on the principle of controlled release of fluorine by a chemical reaction. I also show that NMR or Raman spectroscopy can be used to monitor the free fluorine when polishing with the standard electropolishing recipe. Density functional theory was applied to calculate the properties of common processing impurities – hydrogen, oxygen, nitrogen, and carbon – in the niobium. These impurities lower the superconducting transition temperature of niobium, and hydride precipitates are at best weakly superconducting. I modeled several of the niobium hydride phases relevant to SRF cavities, and explain the phase changes in the niobium hydrogen system based on the charge transfer between niobium and hydrogen and the strain field inside of the niobium. I also present evidence for a niobium lattice vacancy serving as a nucleation center for hydride phase formation. In considering the other chemical impurities in niobium, I show that the absorption of oxygen into a niobium lattice vacancy is preferred over the absorption of hydrogen, which indicates that oxygen can block these phase nucleation centers. I also show that dissolved oxygen atoms can trap dissolved hydrogen atoms to prevent niobium hydride phase formation. Nitrogen and carbon were studied in less depth, but behaved similarly to oxygen. Based on these results and a literature survey, I propose a mechanism for the success of the low-temperature anneal applied to niobium SRF cavities. Finally, I

  12. Combinatorial Insights into Doping Control and Transport Properties of Zinc Tin Nitride

    SciTech Connect (OSTI)

    Fioretti, Angela N.; Zakutayev, Andriy; Moutinho, Helio; Melamed, Celeste; Perkins, John D.; Norman, Andrew G.; Al-Jassim, Mowafak; Toberer, Eric S.; Tamboli, Adele C.

    2015-09-21

    ZnSnN2 is an Earth-abundant semiconductor analogous to the III–nitrides with potential as a solar absorber due to its direct bandgap, steep absorption onset, and disorder-driven bandgap tunability. Despite these desirable properties, discrepancies in the fundamental bandgap and degenerate n-type carrier density have been prevalent issues in the limited amount of literature available on this material. We we use a combinatorial RF co-sputtering approach, we explored a growth-temperature-composition space for Zn1+xSn1-xN2 over the ranges 35–340 °C and 0.30–0.75 Zn/(Zn + Sn). In this way, we identified an optimal set of deposition parameters for obtaining as-deposited films with wurtzite crystal structure and carrier density as low as 1.8 × 1018 cm-3. Films grown at 230 °C with Zn/(Zn + Sn) = 0.60 were found to have the largest grain size overall (70 nm diameter on average) while also exhibiting low carrier density (3 × 1018 cm-3) and high mobility (8.3 cm2 V-1 s-1). Using this approach, we establish the direct bandgap of cation-disordered ZnSnN2 at 1.0 eV. Moreover, we report tunable carrier density as a function of cation composition, in which lower carrier density is observed for higher Zn content. Consequently, this relationship manifests as a Burstein–Moss shift widening the apparent bandgap as cation composition moves away from Zn-rich. Collectively, these findings provide important insight into the fundamental properties of the Zn–Sn–N material system and highlight the potential to utilize ZnSnN2 for photovoltaics.

  13. 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

  14. AEO2014: Preliminary Industrial Output

    Annual Energy Outlook

    Insights' (GI) May Long-term Trend forecast and this year's ... demand is driven by the price level, income, wealth, ... NG 322 Pulp & paper Fuel Index 32511a9 Bulk ...

  15. Macro-Industrial Working Group 2

    Gasoline and Diesel Fuel Update

    projections - Macroeconomic driven: chemical shipmentsproduction - Feedstock price ... efficiency improvements * Macroeconomic chemical drivers: bulk chemicals (organic, ...

  16. TO: FILE GiR FROM: SUBJECT: I OWNER(S) Past: Current:

    Office of Legacy Management (LM)

    - '-'-k. FECMED INVOLVE%ENr AT SITE --.---....---....+ Control ---% Health Physics Protec G AECMED managed operations q t Little or None ci AECMED respansible far ...

  17. OR I GI N A L S I GN E D B Y CONTINATION HEETIREFERENCE

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    CONTINATION HEETIREFERENCE NO OF DOCUMENT BEING CONTINUED AEO DE-AC27-08RV14800/064 2AG OF NAME OF OFFEROR OR CONTRACTOR WASHINGTON RIVER PROTECTION SOLUTIONS LLC ITEM NO. SUPPLIES/SERVICES QUANTITY UNIT UNIT PRICE AMOUNT (A) (B) (C) (D) (F)(F Obligated Amount for this Modification: $53, 327, 186.59 New Total Obdigated Amount for this Award: $1, 181,248,170.41 incremental Funded Amount changed: from $1, 127, 920, 983.82 to $1,181,248,170.41 Account code: WRPS Fund 01250 Appr Year 2007 Aiottee 34

  18. Insights from Smart Meters. Ramp-up, dependability, and short-term persistence of savings from Home Energy Reports

    SciTech Connect (OSTI)

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

    2015-04-21

    Smart meters, smart thermostats, and other new technologies provide previously unavailable high-frequency and location-specific energy usage data. Many utilities are now able to capture real-time, customer specific hourly interval usage data for a large proportion of their residential and small commercial customers. These vast, constantly growing streams of rich data (or, “big data”) have the potential to provide novel insights into key policy questions about how people make energy decisions. 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 useful insights out of this high-frequency, human-focused data. In this series, we call this “behavior analytics.” This kind of analytics has the potential to provide tremendous value to a wide range of energy programs. For example, disaggregated and heterogeneous information about actual energy use allows energy efficiency (EE) and/or demand response (DR) program implementers to target specific programs to specific households; enables evaluation, measurement and verification (EM&V) of energy efficiency programs to be performed on a much shorter time horizon than was previously possible; and may provide better insights into the energy and peak hour savings associated with EE and DR programs (e.g., behavior-based (BB) programs). The goal of this series is to enable evidence-based and data-driven decision making by policy makers and industry stakeholders, including program planners, program administrators, utilities, state regulatory agencies, and evaluators. We focus on research findings that are immediately relevant.

  19. 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

  20. 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.

  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. Insight into the Catalytic Mechanism of Bimetallic Platinum–Copper Core–Shell Nanostructures for Nonaqueous Oxygen Evolution Reactions

    SciTech Connect (OSTI)

    Ma, Lu; Luo, Xiangyi; Kropf, A. Jeremy; Wen, Jianguo; Wang, Xiaoping; Lee, Sungsik; Myers, Deborah J.; Miller, Dean; Wu, Tianpin; Lu, Jun; Amine, Khalil

    2016-01-01

    The oxygen evolution reaction (OER) plays a critical role in multiple energy conversion and storage applications. However, its sluggish kinetics usually results in large voltage polarization and unnecessary energy loss. Therefore, designing efficient catalysts that could facilitate this process has become an emerging topic. Here, we present a unique Pt–Cu core–shell nanostructure for catalyzing the nonaqueous OER. The catalysts were systematically investigated with comprehensive spectroscopic techniques, and applied in nonaqueous Li–O2 electrochemical cells, which exhibited dramatically reduced charging overpotential (<0.2 V). The superior performance is explained by the robust Cu(I) surface sites stabilized by the Pt core in the nanostructure. The insights into the catalytic mechanism of the unique Pt–Cu core–shell nanostructure gained in this work are expected to serve as a guide for future design of other nanostructured bimetallic OER catalysts.

  4. 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.

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

    DOE PAGES-Beta [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.; 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

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

    DOE PAGES-Beta [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; 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

  7. Hybrid Electric Vehicle End-Of-Life Testing On Honda Insights, Gen I Civics And Toyota Gen I Priuses

    SciTech Connect (OSTI)

    James Francfort; Donald Karner; Ryan Harkins; Joseph Tardiolo

    2006-02-01

    This technical report details the end-of-life fuel efficiency and battery testing on two model year 2001 Honda Insight hybrid electric vehicles (HEVs), two model year 2003 Honda Civic HEVs, and two model year 2002 Toyota Prius HEVs. The end-of-life testing was conducted after each vehicle has been operated for approximately 160,000 miles. This testing was conducted by the U.S. Department of Energy’s (DOE) Advanced Vehicle Testing Activity (AVTA). The AVTA is part of DOE’s FreedomCAR and Vehicle Technologies Program. SAE J1634 fuel efficiency testing was performed on the six HEVs with the air conditioning (AC) on and off. The AC on and off test results are compared to new vehicle AC on and off fuel efficiencies for each HEV model. The six HEVs were all end-of-life tested using new-vehicle coast down coefficients. In addition, one of each HEV model was also subjected to fuel efficiency testing using coast down coefficients obtained when the vehicles completed 160,000 miles of fleet testing. Traction battery pack capacity and power tests were also performed on all six HEVs during the end-of-life testing in accordance with the FreedomCAR Battery Test Manual For Power-Assist Hybrid Electric Vehicles procedures. When using the new-vehicle coast down coefficients (Phase I testing), 11 of 12 HEV tests (each HEV was tested once with the AC on and once with the AC off) had increases in fuel efficiencies compared to the new vehicle test results. The end-of-life fuel efficiency tests using the end-of-life coast down coefficients (Phase II testing) show decreases in fuel economies in five of six tests (three with the AC on and three with it off). All six HEVs experienced decreases in battery capacities, with the two Insights having the highest remaining capacities and the two Priuses having the lowest remaining capacities. The AVTA’s end-of-life testing activities discussed in this report were conducted by the Idaho National Laboratory; the AVTA testing partner Electric

  8. Insights into Stress Corrosion Cracking Mechanisms from High-Resolution Measurements of Crack-Tip Structures and Compositions

    SciTech Connect (OSTI)

    Bruemmer, Stephen M.; Thomas, Larry E.

    2004-11-25

    Recent results are presented demonstrating the application of cross-sectional analytical transmission electron microscopy (ATEM) to corrosion and cracking in high-temperature, light-water-reactor (LWR) environments. Structural, compositional and crystallographic characterizations of crack-tip oxide films and interfaces at near-atomic resolutions reveal evidence for unexpected local environments, corrosion reactions and local changes in the alloy metallurgy. Information obtained by high-resolution imaging and analysis indicates the corrosion processes that occur during crack advance, and provides insights into the mechanisms controlling environmental degradation. Examples of intergranular stress-corrosion cracking (IGSCC) in Ni- and Fe-base stainless alloys are reviewed to illustrate the value of this approach. Comparisons are made between crack characteristics found in components removed from long-term LWR service and those in materials tested under well-controlled laboratory conditions. Key insights into crack corrosion environments and advance mechanisms are established for Ni-base alloy 600 in steam-generator, secondary-water environments. Solution impurities such as Pb are often found in high concentrations at leading-edge reaction zones within porous, corrosion-product films. The presence of nanometer-wide, deeply attacked grain boundaries off the main SCC cracks (without evidence for plastic deformation) is believed to indicate a major role of active-path IG corrosion in the SCC process. Similar characteristics are identified for alloy 600 cracking in primary water. This suggests that Pb may only accelerate the IG corrosion process and not alter the basic degradation mechanism. Quite different IGSCC crack and crack-tip characteristics have been discovered for Fe-base stainless steels in LWR environments. More classic SCC crack and crack-tip structures have been seen in non-sensitized materials with wall oxide films extending to the tips. Cracked components

  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

    SciTech Connect (OSTI)

    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 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 structure–photoreactivity relationships in perovskite ferroelectric photocatalysts, but also have broad implications in perovskite-based water splitting and photovoltaics, among others.

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

    DOE PAGES-Beta [OSTI]

    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

  13. Recent advances in biosynthetic modeling of nitric oxide reductases and insights gained from nuclear resonance vibrational and other spectroscopic studies

    DOE PAGES-Beta [OSTI]

    Chakraborty, Saumen; Reed, Julian; Sage, Timothy; Branagan, Nicole C.; Petrik, Igor D.; Miner, Kyle D.; Hu, Michael Y.; Zhao, Jiyong; Alp, E. Ercan; Lu, Yi

    2015-08-14

    This Forum Article focuses on recent advances in structural and spectroscopic studies of biosynthetic models of nitric oxide reductases (NORs). NORs are complex metalloenzymes found in the denitrification pathway of Earth's nitrogen cycle where they catalyze the proton-dependent twoelectron reduction of nitric oxide (NO) to nitrous oxide (N2O). While much progress has been made in biochemical and biophysical studies of native NORs and their variants, a. clear mechanistic understanding of this important metalloenzyme related to its function is still elusive. We report herein UV vis and nuclear resonance vibrational spectroscopy (NRVS) studies of mononitrosylated intermediates of the NOR reaction ofmore » a biosynthetic model. The ability to selectively substitute metals at either heme or nonheme metal sites allows the introduction of independent 57Fe probe atoms at either site, as well as allowing the preparation of analogues of stable reaction intermediates by replacing either metal with a redox inactive metal. Together with previous structural and spectroscopic results, we summarize insights gained from studying these biosynthetic models toward understanding structural features responsible for the NOR activity and its mechanism. As a result, the outlook on NOR modeling is also discussed, with an emphasis on the design of models capable of catalytic turnovers designed based on close mimics of the secondary coordination sphere of native NORs.« less

  14. 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.

  15. Analysis of the Phlebiopsis gigantea Genome, Transcriptome and Secretome Provides Insight into Its Pioneer Colonization Strategies of Wood

    DOE PAGES-Beta [OSTI]

    Hori, Chiaki; Ishida, Takuya; Igarashi, Kiyohiko; Samejima, Masahiro; Suzuki, Hitoshi; Master, Emma; Ferreira, Patricia; Ruiz-Dueñas, Francisco J.; Held, Benjamin; Canessa, Paulo; et al

    2014-12-04

    Collectively classified as white-rot fungi, certain basidiomycetes efficiently degrade the major structural polymers of wood cell walls. A small subset of these Agaricomycetes, exemplified by Phlebiopsis gigantea, is capable of colonizing freshly exposed conifer sapwood despite its high content of extractives, which retards the establishment of other fungal species. The mechanism(s) by which P. gigantea tolerates and metabolizes resinous compounds have not been explored. Here, we report the annotated P. gigantea genome and compare profiles of its transcriptome and secretome when cultured on freshcut versus solvent-extracted loblolly pine wood. The P. gigantea genome contains a conventional repertoire of hydrolase genesmore » involved in cellulose/hemicellulose degradation, whose patterns of expression were relatively unperturbed by the absence of extractives. The expression of genes typically ascribed to lignin degradation was also largely unaffected. In contrast, genes likely involved in the transformation and detoxification of wood extractives were highly induced in its presence. Their products included an ABC transporter, lipases, cytochrome P450s, glutathione S-transferase and aldehyde dehydrogenase. Other regulated genes of unknown function and several constitutively expressed genes are also likely involved in P. gigantea’s extractives metabolism. These results contribute to our fundamental understanding of pioneer colonization of conifer wood and provide insight into the diverse chemistries employed by fungi in carbon cycling processes.« less

  16. Analysis of the Phlebiopsis gigantea Genome, Transcriptome and Secretome Provides Insight into Its Pioneer Colonization Strategies of Wood

    SciTech Connect (OSTI)

    Hori, Chiaki; Ishida, Takuya; Igarashi, Kiyohiko; Samejima, Masahiro; Suzuki, Hitoshi; Master, Emma; Ferreira, Patricia; Ruiz-Dueñas, Francisco J.; Held, Benjamin; Canessa, Paulo; Larrondo, Luis F.; Schmoll, Monika; Druzhinina, Irina S.; Kubicek, Christian P.; Gaskell, Jill A.; Kersten, Phil; St. John, Franz; Glasner, Jeremy; Sabat, Grzegorz; Splinter BonDurant, Sandra; Syed, Khajamohiddin; Yadav, Jagjit; Mgbeahuruike, Anthony C.; Kovalchuk, Andriy; Asiegbu, Fred O.; Lackner, Gerald; Hoffmeister, Dirk; Rencoret, Jorge; Gutiérrez, Ana; Sun, Hui; Lindquist, Erika; Barry, Kerrie; Riley, Robert; Grigoriev, Igor V.; Henrissat, Bernard; Berka, Randy M.; Martínez, Angel T.; Covert, Sarah F.; Blanchette, Robert A.; Cullen, Daniel; Copenhaver, Gregory P.

    2014-12-04

    Collectively classified as white-rot fungi, certain basidiomycetes efficiently degrade the major structural polymers of wood cell walls. A small subset of these Agaricomycetes, exemplified by Phlebiopsis gigantea, is capable of colonizing freshly exposed conifer sapwood despite its high content of extractives, which retards the establishment of other fungal species. The mechanism(s) by which P. gigantea tolerates and metabolizes resinous compounds have not been explored. Here, we report the annotated P. gigantea genome and compare profiles of its transcriptome and secretome when cultured on freshcut versus solvent-extracted loblolly pine wood. The P. gigantea genome contains a conventional repertoire of hydrolase genes involved in cellulose/hemicellulose degradation, whose patterns of expression were relatively unperturbed by the absence of extractives. The expression of genes typically ascribed to lignin degradation was also largely unaffected. In contrast, genes likely involved in the transformation and detoxification of wood extractives were highly induced in its presence. Their products included an ABC transporter, lipases, cytochrome P450s, glutathione S-transferase and aldehyde dehydrogenase. Other regulated genes of unknown function and several constitutively expressed genes are also likely involved in P. gigantea’s extractives metabolism. These results contribute to our fundamental understanding of pioneer colonization of conifer wood and provide insight into the diverse chemistries employed by fungi in carbon cycling processes.

  17. 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.

  18. Experimental Study of Porosity Changes in Shale Caprocks Exposed to Carbon Dioxide-Saturated Brine II: Insights from Aqueous Geochemistry

    DOE PAGES-Beta [OSTI]

    Miller, Quin R. S.; Wang, Xiuyu; Kaszuba, John P.; Mouzakis, Katherine M.; Navarre-Sitchler, Alexis K.; Alvarado, Vladimir; McCray, John E.; Rother, Gernot; Bañuelos, José Leobardo; Heath, Jason E.

    2016-07-18

    Laboratory experiments evaluated two shale caprock formations, the Gothic Shale and Marine Tuscaloosa Formation, at conditions relevant to carbon dioxide (CO2) sequestration. Both rocks were exposed to CO2-saturated brines at 160°C and 15 MPa for ~45 days. Baseline experiments for both rocks were pressurized with argon to 15 MPa for ~35 days. Varying concentrations of iron, aqueous silica, sulfate, and initial pH decreases coincide with enhanced carbonate and silicate dissolution due to reaction between CO2-saturated brine and shale. Saturation indices were calculated and activity diagrams were constructed to gain insights into sulfate, silicate, and carbonate mineral stabilities. We found thatmore » upon exposure to CO2-saturated brines, the Marine Tuscaloosa Formation appeared to be more reactive than the Gothic Shale. Evolution of aqueous geochemistry in the experiments is consistent with mineral precipitation and dissolution reactions that affect porosity. Finally, this study highlights the importance of tracking fluid chemistry to clarify downhole physicochemical responses to CO2 injection and subsequent changes in sealing capacity in CO2 storage and utilization projects.« less

  19. Recent advances in biosynthetic modeling of nitric oxide reductases and insights gained from nuclear resonance vibrational and other spectroscopic studies

    SciTech Connect (OSTI)

    Chakraborty, Saumen; Reed, Julian; Sage, Timothy; Branagan, Nicole C.; Petrik, Igor D.; Miner, Kyle D.; Hu, Michael Y.; Zhao, Jiyong; Alp, E. Ercan; Lu, Yi

    2015-08-14

    This Forum Article focuses on recent advances in structural and spectroscopic studies of biosynthetic models of nitric oxide reductases (NORs). NORs are complex metalloenzymes found in the denitrification pathway of Earth's nitrogen cycle where they catalyze the proton-dependent twoelectron reduction of nitric oxide (NO) to nitrous oxide (N2O). While much progress has been made in biochemical and biophysical studies of native NORs and their variants, a. clear mechanistic understanding of this important metalloenzyme related to its function is still elusive. We report herein UV vis and nuclear resonance vibrational spectroscopy (NRVS) studies of mononitrosylated intermediates of the NOR reaction of a biosynthetic model. The ability to selectively substitute metals at either heme or nonheme metal sites allows the introduction of independent 57Fe probe atoms at either site, as well as allowing the preparation of analogues of stable reaction intermediates by replacing either metal with a redox inactive metal. Together with previous structural and spectroscopic results, we summarize insights gained from studying these biosynthetic models toward understanding structural features responsible for the NOR activity and its mechanism. As a result, the outlook on NOR modeling is also discussed, with an emphasis on the design of models capable of catalytic turnovers designed based on close mimics of the secondary coordination sphere of native NORs.

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

    SciTech Connect (OSTI)

    Everett, S. Michelle; Rawn, Claudia J.; Chakoumakos, Bryan C.; Keffer, David J.; Huq, Ashfia; Phelps, Tommy J.

    2015-05-12

    The exchange of carbon dioxide for methane in natural gas hydrates is an attractive approach to harvesting CH4 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. In this paper, 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. Finally, these results provide important insights on the impact and mechanisms for the structure of mixed CH4/CO2 gas hydrate.

  1. 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.

  2. 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.

  3. Insights into archaeal evolution and symbiosis from the genomes of a Nanoarchaeon and its crenarchaeal host from Yellowstone National Park

    SciTech Connect (OSTI)

    Podar, Mircea; Graham, David E; Reysenbach, Anna-Louise; Koonin, Eugene; Wolf, Yuri; Makarova, Kira S.

    2013-01-01

    A hyperthemophilic member of the Nanoarchaeota from Obsidian Pool, a thermal feature in Yellowstone National Park was characterized using single cell isolation and sequencing, together with its putative host, a Sulfolobales archaeon. This first representative of a non-marine Nanoarchaeota (Nst1) resembles Nanoarchaeum equitans by lacking most biosynthetic capabilities, the two forming a deep-branching archaeal lineage. However, the Nst1 genome is over 20% larger, encodes a complete gluconeogenesis pathway and a full complement of archaeal flagellum proteins. Comparison of the two genomes suggests that the marine and terrestrial Nanoarchaeota lineages share a common ancestor that was already a symbiont of another archaeon. With a larger genome, a smaller repertoire of split protein encoding genes and no split non-contiguous tRNAs, Nst1 appears to have experienced less severe genome reduction than N. equitans. The inferred host of Nst1 is potentially autotrophic, with a streamlined genome and simplified central and energetic metabolism as compared to other Sulfolobales. The two distinct Nanoarchaeota-host genomic data sets offer insights into the evolution of archaeal symbiosis and parasitism and will further enable studies of the cellular and molecular mechanisms of these relationships.

  4. Nuclear Safety Design Principles & the Concept of Independence: Insights from Nuclear Weapon Safety for Other High-Consequence Applications.

    SciTech Connect (OSTI)

    Brewer, Jeffrey D.

    2014-05-01

    Insights developed within the U.S. nuclear weapon system safety community may benefit system safety design, assessment, and management activities in other high consequence domains. The approach of assured nuclear weapon safety has been developed that uses the Nuclear Safety Design Principles (NSDPs) of incompatibility, isolation, and inoperability to design safety features, organized into subsystems such that each subsystem contributes to safe system responses in independent and predictable ways given a wide range of environmental contexts. The central aim of the approach is to provide a robust technical basis for asserting that a system can meet quantitative safety requirements in the widest context of possible adverse or accident environments, while using the most concise arrangement of safety design features and the fewest number of specific adverse or accident environment assumptions. Rigor in understanding and applying the concept of independence is crucial for the success of the approach. This paper provides a basic description of the assured nuclear weapon safety approach, in a manner that illustrates potential application to other domains. There is also a strong emphasis on describing the process for developing a defensible technical basis for the independence assertions between integrated safety subsystems.

  5. Insights from a Developer

    Energy Savers

    - 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 ...

  6. Drilling Gives Insight

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    NvE Makes Holidays Brighter for Those in Need "Happiness doesn't result from what we get, but from what we give." - Ben Carson Every year during the holidays, National Security ...

  7. Insight From Efficiency Maine

    Energy.gov [DOE]

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

  8. Insight on oversight

    SciTech Connect (OSTI)

    Jaffe, A.B.; Kalt, J.P. )

    1994-04-15

    A trio of tenets state regulators can use to maximize benefits from natural gas and emission allowance markets. A dramatic change has occurred in recent years in the role markets and competition play in achieving the nation's economic policy objectives. In regulating sectors as diverse as telecommunications and natural gas pipelines, change has taken the form of deregulation, service unbundling, and increased reliance on markets and competition to determine prices and industry structure. In environmental regulation, passage of the Clean Air Act Amendments of 1990 was a major step toward implementing economic incentive-based approaches to control environmental externalities through a system of tradable emission allowances. Public utility commissions governing local utilities are finding that unleased markets are remarkably fluid and complicated. With so many new options and players to content with, state policymakers are struggling with big questions: How do they fulfill their mandated obligations to ensure that local utilities are behaving prudently and providing gas and electricity under just and reasonable terms How do they ensure that utilities buying major inputs in newly created, or at least newly freed, markets act in the best interest of ratepayers This article describes the elements of state regulatory oversight of local distribution companies and electric utilities that rely on competition and appropriate incentives.

  9. Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2

    SciTech Connect (OSTI)

    Calamini, Barbara; Santarsiero, Bernard D.; Boutin, Jean A.; Mesecar, Andrew D.

    2008-09-12

    Melatonin exerts its biological effects through at least two transmembrane G-protein-coupled receptors, MT1 and MT2, and a lower-affinity cytosolic binding site, designated MT3. MT3 has recently been identified as QR2 (quinone reductase 2) (EC 1.10.99.2) which is of significance since it links the antioxidant effects of melatonin to a mechanism of action. Initially, QR2 was believed to function analogously to QR1 in protecting cells from highly reactive quinones. However, recent studies indicate that QR2 may actually transform certain quinone substrates into more highly reactive compounds capable of causing cellular damage. Therefore it is hypothesized that inhibition of QR2 in certain cases may lead to protection of cells against these highly reactive species. Since melatonin is known to inhibit QR2 activity, but its binding site and mode of inhibition are not known, we determined the mechanism of inhibition of QR2 by melatonin and a series of melatonin and 5-hydroxytryptamine (serotonin) analogues, and we determined the X-ray structures of melatonin and 2-iodomelatonin in complex with QR2 to between 1.5 and 1.8 {angstrom} (1 {angstrom} = 0.1 nm) resolution. Finally, the thermodynamic binding constants for melatonin and 2-iodomelatonin were determined by ITC (isothermal titration calorimetry). The kinetic results indicate that melatonin is a competitive inhibitor against N-methyldihydronicotinamide (K{sub i} = 7.2 {mu}M) and uncompetitive against menadione (K{sub i} = 92 {mu}M), and the X-ray structures shows that melatonin binds in multiple orientations within the active sites of the QR2 dimer as opposed to an allosteric site. These results provide new insights into the binding mechanisms of melatonin and analogues to QR2.

  10. 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.

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

    SciTech Connect (OSTI)

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

    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.

  12. Spatially resolved chemical imaging of individual atmospheric particles using nanoscale imaging mass spectrometry: insight into particle origin and chemistry

    DOE PAGES-Beta [OSTI]

    Ghosal, Sutapa; Weber, Peter K.; Laskin, Alexander

    2014-01-14

    Knowledge of the spatially resolved composition of atmospheric particles is essential for differentiating between their surface versus bulk chemistry and understanding particle reactivity and the potential environmental impact. Here, we demonstrate the application of nanometer-scale secondary ion mass spectrometry (CAMECA NanoSIMS 50 ion probe) for 3D chemical imaging of individual atmospheric particles without any sample pre-treatment, such as sectioning of particles. Use of NanoSIMS depth profile analysis enables elemental mapping of particles with nanometer spatial resolution over a broad range of particle sizes. We have used this technique to probe the spatially resolved composition of ambient particles collected during amore » field campaign in Mexico City. Particles collected during this campaign have been extensively characterized in the past using other particle analysis techniques and hence offer a unique opportunity for exploring the utility of depth-resolved chemical imaging in ambient particle research. The particles that we examined in our study include those collected during a pollution episode related to urban waste incineration as well as background particles from the same location before the episode. Particles from the pollution episode show substantial intra-particle compositional variability typical of particles resulting from multiple emission sources. In contrast, the background particles have relatively homogeneous compositions with enhanced presence of nitrogen, oxygen, and chlorine at the particle surface. We also observed the surface enhancement of nitrogen and oxygen species is consistent with the presence of surface nitrates resulting from gas–particle heterogeneous interactions and is indicative of atmospheric ageing of the particles. The results presented here illustrate 3D characterization of ambient particles for insight into their chemical history.« less

  13. 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)

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    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

  14. The effects of gas-fluid-rock interactions on CO2 injection and storage: Insights from reactive transport modeling

    SciTech Connect (OSTI)

    Xiao, Y.; Xu, T.; Pruess, K.

    2008-10-15

    Possible means of reducing atmospheric CO{sub 2} emissions include injecting CO{sub 2} in petroleum reservoirs for Enhanced Oil Recovery or storing CO{sub 2} in deep saline aquifers. Large-scale injection of CO{sub 2} into subsurface reservoirs would induce a complex interplay of multiphase flow, capillary trapping, dissolution, diffusion, convection, and chemical reactions that may have significant impacts on both short-term injection performance and long-term fate of CO{sub 2} storage. Reactive Transport Modeling is a promising approach that can be used to predict the spatial and temporal evolution of injected CO{sub 2} and associated gas-fluid-rock interactions. This presentation will summarize recent advances in reactive transport modeling of CO{sub 2} storage and review key technical issues on (1) the short- and long-term behavior of injected CO{sub 2} in geological formations; (2) the role of reservoir mineral heterogeneity on injection performance and storage security; (3) the effect of gas mixtures (e.g., H{sub 2}S and SO{sub 2}) on CO{sub 2} storage; and (4) the physical and chemical processes during potential leakage of CO{sub 2} from the primary storage reservoir. Simulation results suggest that CO{sub 2} trapping capacity, rate, and impact on reservoir rocks depend on primary mineral composition and injecting gas mixtures. For example, models predict that the injection of CO{sub 2} alone or co-injection with H{sub 2}S in both sandstone and carbonate reservoirs lead to acidified zones and mineral dissolution adjacent to the injection well, and carbonate precipitation and mineral trapping away from the well. Co-injection of CO{sub 2} with H{sub 2}S and in particular with SO{sub 2} causes greater formation alteration and complex sulfur mineral (alunite, anhydrite, and pyrite) trapping, sometimes at a much faster rate than previously thought. The results from Reactive Transport Modeling provide valuable insights for analyzing and assessing the dynamic

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

    DOE PAGES-Beta [OSTI]

    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

  16. INSIGHTS INTO PRE-ENRICHMENT OF STAR CLUSTERS AND SELF-ENRICHMENT OF DWARF GALAXIES FROM THEIR INTRINSIC METALLICITY DISPERSIONS

    SciTech Connect (OSTI)

    Leaman, Ryan

    2012-12-01

    Star clusters are known to have smaller intrinsic metallicity spreads than dwarf galaxies due to their shorter star formation timescales. Here we use individual spectroscopic [Fe/H] measurements of stars in 19 Local Group dwarf galaxies, 13 Galactic open clusters, and 49 globular clusters to show that star cluster and dwarf galaxy linear metallicity distributions are binomial in form, with all objects showing strong correlations between their mean linear metallicity Z-bar and intrinsic spread in metallicity {sigma}(Z){sup 2}. A plot of {sigma}(Z){sup 2} versus Z-bar shows that the correlated relationships are offset for the dwarf galaxies from the star clusters. The common binomial nature of these linear metallicity distributions can be explained with a simple inhomogeneous chemical evolution model, where the star cluster and dwarf galaxy behavior in the {sigma}(Z){sup 2}- Z-bar diagram is reproduced in terms of the number of enrichment events, covering fraction, and intrinsic size of the enriched regions. The inhomogeneity of the self-enrichment sets the slope for the observed dwarf galaxy {sigma}(Z){sup 2}- Z-bar correlation. The offset of the star cluster sequence from that of the dwarf galaxies is due to pre-enrichment, and the slope of the star cluster sequence represents the remnant signature of the self-enriched history of their host galaxies. The offset can be used to separate star clusters from dwarf galaxies without a priori knowledge of their luminosity or dynamical mass. The application of the inhomogeneous model to the {sigma}(Z){sup 2}- Z-bar relationship provides a numerical formalism to connect the self-enrichment and pre-enrichment between star clusters and dwarf galaxies using physically motivated chemical enrichment parameters. Therefore we suggest that the {sigma}(Z){sup 2}- Z-bar relationship can provide insight into what drives the efficiency of star formation and chemical evolution in galaxies, and is an important prediction for galaxy

  17. Insights into Stress Corrosion Cracking Mechanisms from High-Resolution Measurements of Crack-Tip Structures and Compositions

    SciTech Connect (OSTI)

    Bruemmer, Stephen M.; Thomas, Larry E.

    2010-04-05

    The fundamental basis for mechanistic understanding and modeling of SCC remains in question for many systems. Specific mechanisms controlling SCC can vary with changes in alloy characteristics, applied/residual stress or environmental conditions. The local crack electrochemistry, crack-tip mechanics and material metallurgy are the main factors controlling crack growth. These localized properties are difficult or impossible to measure in active cracks. Nevertheless, it is essential to quantitatively interrogate these crack-tip conditions if mechanistic understanding is to be obtained. A major recent advance has been the ability to investigate SCC cracks and crack tips using high-resolution ATEM techniques. ATEM enables the characterization of SCC cracks including trapped tip solution chemistries, corrosion product/film compositions and structures, and elemental composition gradients and defect microstructures along the crack walls and at the crack tip. A wide variety of methods for imaging and analyses at resolutions down to the atomic level can be used to examine the crack and corrosion film characteristics. Surface films and reaction layers have been examined by cross-sectional TEM techniques, but little work had been conducted on environmentally induced internal cracks until that of Lewis and co-workers [1-3] and the current authors [4-17]. This capability combined with modern ATEM techniques has enabled exciting new insights into corrosion processes occurring at buried interfaces and is being used to identify mechanisms controlling IGSCC in boiling water reactor (BWR) and pressurized water reactor (PWR) components. The objective of this paper is to summarize certain results focused on IGSCC of Fe- base and Ni-base stainless alloys in high-temperature water environments. Representative crack-tip examples will be shown to illustrate specific aspects that are characteristic of SCC in the material/environment combinations. Differences and similarities in crack

  18. OR I GI N A L S I GN E D B Y I REEECNO OF DOCUMENT BEING...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

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  19. DE-EM-0001971 WIPP M&O G-i PART I - THE SCHEDULE SECTION G CONTRACT...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Office. (c) DOE Contracting Office. The Contracting Officer's address is: Carlsbad Field Office U.S. Department of Energy P.O. Box 3090 Carlsbad, NM 88221 (d) PatentsTechnical ...

  20. OR I GI N A L S I GN E D B Y COTNAINSETIREFERENCE NO. OF DOCUMENT BEING CONTINUED

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    COTNAINSETIREFERENCE NO. OF DOCUMENT BEING CONTINUED ?AGE OF COTNUTONSEE~DE-AC27-08RV14800/063 12 3 NAME OF OFFEROR OR CONTRACTOR WASHINGTON RIVER PROTECTION SOLUTIONS LLC ITEM NO. SUPPLIES/SERVICES QUANTITY UNIT UNIT PRICE AMOUNT (A) (B) (C) (D) (E) (F) $1,126,320, 983.82 to $1,127,920, 983.82 ARRA Fund 06049 Appr Year 2009 Ailottee 34 Reporting Entity 421301 Object Class 25400 Program 1111370 Project 2002110 WFO 0000000 Local Use 0000000 TAS Agency Code 89 TAS Account Code 0253 TAS Subaccount

  1. Vehicle Technologies Office Merit Review 2015: Development and Update of Long-Term Energy and GHG Emission Macroeconomic Accounting Tool

    Energy.gov [DOE]

    Presentation given by Argonne National Laboratory at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about development and...

  2. Vehicle Technologies Office Merit Review 2014: Development and Update of Long-Term Energy and GHG Emission Macroeconomic Accounting Tool

    Energy.gov [DOE]

    Presentation given by Argonne National Laboratory at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about the development...

  3. An Insight into the Interaction Mode Between CheB and Chemoreceptor from Two Crystal Structures of CheB Methylesterase Catalytic Domain

    SciTech Connect (OSTI)

    K Cho; B Crane; S Park

    2011-12-31

    We have determined 2.2 {angstrom} resolution crystal structure of Thermotoga maritima CheB methylesterase domain to provide insight into the interaction mode between CheB and chemoreceptors. T. maritima CheB methylesterase domain has identical topology of a modified doubly-wound {alpha}/{beta} fold that was observed from the previously reported Salmonella typhimurium counterpart, but the analysis of the electrostatic potential surface near the catalytic triad indicated considerable charge distribution difference. As the CheB demethylation consensus sites of the chemoreceptors, the CheB substrate, are not uniquely conserved between T. maritima and S. typhimurium, such surfaces with differing electrostatic properties may reflect CheB regions that mediate protein-protein interaction. Via the computational docking of the two T. maritima and S. typhimurium CheB structures to the respective T. maritima and Escherichia coli chemoreceptors, we propose a CheB:chemoreceptor interaction mode.

  4. 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.

  5. The effect of a dominant initial single mode on the Kelvin–Helmholtz instability evolution: New insights on previous experimental results

    DOE PAGES-Beta [OSTI]

    Shimony, Assaf; Shvarts, Dov; Malamud, Guy; Di Stefano, Carlos A.; Kuranz, Carolyn C.; Drake, R. P.

    2016-04-12

    This paper brings new insights on an experiment, measuring the Kelvin–Helmholtz (KH) instability evolution, performed on the OMEGA-60 laser facility. Experimental radiographs show that the initial seed perturbations in the experiment are of multimode spectrum with a dominant single-mode of 16 μm wavelength. In single-mode-dominated KH instability flows, the mixing zone (MZ) width saturates to a constant value comparable to the wavelength. However, the experimental MZ width at late times has exceeded 100 μm, an order of magnitude larger. In this work, we use numerical simulations and a statistical model in order to investigate the vortex dynamics of the KHmore » instability for the experimental initial spectrum. Here, we conclude that the KH instability evolution in the experiment is dominated by multimode, vortex-merger dynamics, overcoming the dominant initial mode.« less

  6. Worker Safety and Health Issues Associated with the DOE Environmental Cleanup Program: Insights From the DOE Laboratory Directors' Environmental and Occupational/Public health Standards Steering Group

    SciTech Connect (OSTI)

    M.C. Edelson; Samuel C. Morris; Joan M. Daisey

    2001-03-01

    The U.S. Department of Energy (DOE) Laboratory Directors' Environmental and Occupational/Public Health Standards Steering Group (or ''SSG'') was formed in 1990. It was felt then that ''risk'' could be an organizing principle for environmental cleanup and that risk-based cleanup standards could rationalize clean up work. The environmental remediation process puts workers engaged in cleanup activities at risk from hazardous materials and from the more usual hazards associated with construction activities. In a real sense, the site remediation process involves the transfer of a hypothetical risk to the environment and the public from isolated contamination into real risks to the workers engaged in the remediation activities. Late in its existence the SSG, primarily motivated by its LANL representative, Dr. Harry Ettinger, actively investigated issues associated with worker health and safety during environmental remediation activities. This paper summarizes the insights noted by the SSG. Most continue to be pertinent today.

  7. 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.

  8. 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

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

    DOE PAGES-Beta [OSTI]

    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

  10. UNDERSTANDING SDO/AIA OBSERVATIONS OF THE 2010 JUNE 13 EUV WAVE EVENT: DIRECT INSIGHT FROM A GLOBAL THERMODYNAMIC MHD SIMULATION

    SciTech Connect (OSTI)

    Downs, Cooper; Roussev, Ilia I.; Lugaz, Noe; Van der Holst, Bart; Sokolov, Igor V.

    2012-05-10

    In this work, we present a comprehensive observation and modeling analysis of the 2010 June 13 extreme-ultraviolet (EUV) wave observed by the Atmospheric Imaging Assembly (AIA) aboard the Solar Dynamics Observatory (SDO). Due to extreme advances in cadence, resolution, and bandpass coverage in the EUV regime, the AIA instrument offers an unprecedented ability to observe the dynamics of large-scale coronal wave-like transients known as EUV waves. To provide a physical analysis and further complement observational insight, we conduct a three-dimensional, time-dependent thermodynamic MHD simulation of the eruption and associated EUV wave, and employ forward modeling of EUV observables to compare the results directly observations. We focus on two main aspects: (1) the interpretation of the stark thermodynamic signatures in the multi-filter AIA data within the propagating EUV wave front, and (2) an in-depth analysis of the simulation results and their implication with respect to EUV wave theories. Multiple aspects, including the relative phases of perturbed variables, suggest that the outer, propagating component of the EUV transient exhibits the behavior of a fast-mode wave. We also find that this component becomes decoupled from the evolving structures associated with the coronal mass ejection that are also visible, providing a clear distinction between wave and non-wave mechanisms at play.

  11. New insights on the synthesis and electronic transport in bulk polycrystalline Pr-doped SrTiO{sub 3−δ}

    SciTech Connect (OSTI)

    Dehkordi, Arash Mehdizadeh; Bhattacharya, Sriparna; Darroudi, Taghi; Alshareef, Husam N.; Tritt, Terry M.

    2015-02-07

    Recently, we have reported a significant enhancement in the electronic and thermoelectric properties of bulk polycrystalline SrTiO{sub 3} ceramics via praseodymium doping. This improvement was originated from the simultaneous enhancement in the thermoelectric power factor and reduction in thermal conductivity, which was contributed to the non-uniform distribution of Pr dopants. In order to further understand the underlying mechanism, we herein investigate the role of praseodymium doping source (Pr{sub 2}O{sub 3} versus Pr{sub 6}O{sub 11}) on the synthesis and electronic transport in Pr-doped SrTiO{sub 3} ceramics. It was observed that the high-temperature electronic transport properties are independent of the choice of praseodymium doping source for samples prepared following our synthesis strategy. Theoretical calculations were also performed in order to estimate the maximum achievable power factor and the corresponding optimal carrier concentration. The result suggests the possibility of further improvement of the power factor. This study should shed some light on the superior electronic transport in bulk polycrystalline Pr-doped SrTiO{sub 3} ceramics and provide new insight on further improvement of the thermoelectric power factor.

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

    DOE PAGES-Beta [OSTI]

    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

  13. 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}.

  14. Structural and biochemical insights into 2′-O-methylation at the 3′-terminal nucleotide of RNA by Hen1

    SciTech Connect (OSTI)

    Chan, Chio Mui; Zhou, Chun; Brunzelle, Joseph S.; Huang, Raven H.

    2010-01-28

    Small RNAs of {approx}20-30 nt have diverse and important biological roles in eukaryotic organisms. After being generated by Dicer or Piwi proteins, all small RNAs in plants and a subset of small RNAs in animals are further modified at their 3'-terminal nucleotides via 2'-O-methylation, carried out by the S-adenosylmethionine-dependent methyltransferase (MTase) Hen1. Methylation at the 3' terminus is vital for biological functions of these small RNAs. Here, we report four crystal structures of the MTase domain of a bacterial homolog of Hen1 from Clostridium thermocellum and Anabaena variabilis, which are enzymatically indistinguishable from the eukaryotic Hen1 in their ability to methylate small single-stranded RNAs. The structures reveal that, in addition to the core fold of the MTase domain shared by other RNA and DNA MTases, the MTase domain of Hen1 possesses a motif and a domain that are highly conserved and are unique to Hen1. The unique motif and domain are likely to be involved in RNA substrate recognition and catalysis. The structures allowed us to construct a docking model of an RNA substrate bound to the MTase domain of bacterial Hen1, which is likely similar to that of the eukaryotic counterpart. The model, supported by mutational studies, provides insight into RNA substrate specificity and catalytic mechanism of Hen1.

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

    SciTech Connect (OSTI)

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

    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 the 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.

  16. Insight Homes | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

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

  17. 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.

  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. 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.

  20. Structural insight and flexible features of NS5 proteins from all four serotypes of Dengue virus in solution

    SciTech Connect (OSTI)

    Saw, Wuan Geok; Tria, Giancarlo; Grüber, Ardina; Subramanian Manimekalai, Malathy Sony; Zhao, Yongqian; Chandramohan, Arun; Srinivasan Anand, Ganesh; Matsui, Tsutomu; Weiss, Thomas M.; Vasudevan, Subhash G.; Grüber, Gerhard

    2015-10-31

    Infection by the four serotypes ofDengue virus(DENV-1 to DENV-4) causes an important arthropod-borne viral disease in humans. The multifunctional DENV nonstructural protein 5 (NS5) is essential for capping and replication of the viral RNA and harbours a methyltransferase (MTase) domain and an RNA-dependent RNA polymerase (RdRp) domain. In this study, insights into the overall structure and flexibility of the entire NS5 of all fourDengue virusserotypes in solution are presented for the first time. The solution models derived revealed an arrangement of the full-length NS5 (NS5FL) proteins with the MTase domain positioned at the top of the RdRP domain. The DENV-1 to DENV-4 NS5 forms are elongated and flexible in solution, with DENV-4 NS5 being more compact relative to NS5 from DENV-1, DENV-2 and DENV-3. Solution studies of the individual MTase and RdRp domains show the compactness of the RdRp domain as well as the contribution of the MTase domain and the ten-residue linker region to the flexibility of the entire NS5. Swapping the ten-residue linker between DENV-4 NS5FL and DENV-3 NS5FL demonstrated its importance in MTase–RdRp communication and in concerted interaction with viral and host proteins, as probed by amide hydrogen/deuterium mass spectrometry. Conformational alterations owing to RNA binding are presented.

  1. Structure of an APC3–APC16 Complex: Insights into Assembly of the Anaphase-Promoting Complex/Cyclosome

    SciTech Connect (OSTI)

    Yamaguchi, Masaya; Yu, Shanshan; Qiao, Renping; Weissmann, Florian; Miller, Darcie J.; VanderLinden, Ryan; Brown, Nicholas G.; Frye, Jeremiah J.; Peters, Jan-Michael; Schulman, Brenda A.

    2015-08-21

    The anaphase-promoting complex/cyclosome (APC/C) is a massive E3 ligase that controls mitosis by catalyzing ubiquitination of key cell cycle regulatory proteins. The APC/C assembly contains two subcomplexes: the “Platform” centers around a cullin-RING-like E3 ligase catalytic core; the “Arc Lamp” is a hub that mediates transient association with regulators and ubiquitination substrates. The Arc Lamp contains the small subunits APC16, CDC26, and APC13, and tetratricopeptide repeat (TPR) proteins (APC7, APC3, APC6, and APC8) that homodimerize and stack with quasi-2-fold symmetry. Within the APC/C complex, APC3 serves as center for regulation. APC3's TPR motifs recruit substrate-binding coactivators, CDC20 and CDH1, via their C-terminal conserved Ile-Arg (IR) tail sequences. Human APC3 also binds APC16 and APC7 and contains a > 200-residue loop that is heavily phosphorylated during mitosis, although the basis for APC3 interactions and whether loop phosphorylation is required for ubiquitination are unclear. Here, we map the basis for human APC3 assembly with APC16 and APC7, report crystal structures of APC3Δloop alone and in complex with the C-terminal domain of APC16, and test roles of APC3's loop and IR tail binding surfaces in APC/C-catalyzed ubiquitination. The structures show how one APC16 binds asymmetrically to the symmetric APC3 dimer and, together with biochemistry and prior data, explain how APC16 recruits APC7 to APC3, show how APC3's C-terminal domain is rearranged in the full APC/C assembly, and visualize residues in the IR tail binding cleft important for coactivator-dependent ubiquitination. Overall, the results provide insights into assembly, regulation, and interactions of TPR proteins and the APC/C.

  2. Insights into Higher-Order Organization of the Cellulosome Revealed by a Dissect-and build Approach: Crystal Structure of Interacting Clostridium thermocellum Multimodular components

    SciTech Connect (OSTI)

    J Adams; M Currie; S Ali; E Bayer; Z Jia; S Smith

    2011-12-31

    Cellulosomes are large, multienzyme, plant cell wall-degrading protein complexes found affixed to the surface of a variety of anaerobic microbes. The core of the cellulosome is a noncatalytic scaffoldin protein, which contains several type-I cohesin modules that bind type-I dockerin-containing enzymatic subunits, a cellulose-binding module, an X module, and a type-II dockerin that interacts with type-II cohesin-containing cell surface proteins. The unique arrangement of the enzymatic subunits in the cellulosome complex, made possible by the scaffoldin subunit, promotes enhanced substrate degradation relative to the enzymes free in solution. Despite representative high-resolution structures of all of the individual modules of the cellulosome, this mechanism of enzymatic synergy remains poorly understood. Consequently, a model of the entire cellulosome and a detailed picture of intermodular contacts will provide more detailed insight into cellulosome activity. Toward this goal, we have solved the structure of a multimodular heterodimeric complex from Clostridium thermocellum composed of the type-II cohesin module of the cell surface protein SdbA bound to a trimodular C-terminal fragment of the scaffoldin subunit CipA to a resolution of 1.95 {angstrom}. The linker that connects the ninth type-I cohesin module and the X module has elevated temperature factors, reflecting an inherent flexibility within this region. Interestingly, a novel dimer interface was observed between CipA and a second, symmetry-related CipA molecule within the crystal structure, mediated by contacts between a type-I cohesin and an X module of a symmetry mate, resulting in two intertwined scaffoldins. Sedimentation velocity experiments confirmed that dimerization also occurs in solution. These observations support the intriguing possibility that individual cellulosomes can associate with one another via inter-scaffoldin interactions, which may play a role in the mechanism of action of the complex.

  3. 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.

  4. 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

  5. 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 μM 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-κB/TNF-α 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 μM 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

  6. Thermodynamical and structural insights of orange II adsorption by Mg{sub R}AlNO{sub 3} layered double hydroxides

    SciTech Connect (OSTI)

    Mustapha Bouhent, Mohamed; Derriche, Zoubir; Denoyel, Renaud; Prevot, Vanessa; Forano, Claude

    2011-05-15

    [Mg{sub 1-x} Al{sub x}(OH){sub 2}][(NO{sub 3}){sub x}, nH{sub 2}O] Layered Double Hydroxide (LDH) sorbents with variable Mg/Al molar (R=(1-x)/x) ratios were investigated for adsorption of azo dye, orange II (OII) at various pH and temperature conditions. Mg{sub 2}AlNO{sub 3} displays the highest adsorption capacity with 3.611 mmol of OII per gram of Mg{sub 2}AlNO{sub 3} at 40 {sup o}C. Adsorption isotherms have been fitted using the Langmuir model and free energy of adsorption ({Delta}G{sup o}), enthalpy ({Delta}H{sup o}) and entropy ({Delta}S{sup o}) were calculated. The experimental values for {Delta}G{sup o} in temperature range between 10 and 40 {sup o}C were found to be negative indicating that a spontaneous process occurred. Positive calculated enthalpy values, characteristic of an endothermic process were found. Characterization of solids (PXRD, FTIR, UV-vis, TGA/DTA, adsorption isotherm BET analysis, SEM and Zetametry) before and after adsorption showed that adsorption proceeds in two steps. First, adsorption occurs at the LDH surface, followed by intercalation via anion exchange. -- Graphical Abstract: Structural and thermodynamical insight of adsorption/Intercalation of OII in Mg{sub R}Al LDH Display Omitted Highlights: {yields} The nitrate containing hydrotalcite-like compounds (Mg{sub R}AlNO{sub 3} LDH) were prepared by the coprecipitation method. {yields} Adsorption of anionic orange dye(OII) is studied on LDHs at different temperatures. {yields} The adsorption process is well described by the Langmuir isotherm model. {yields} Mg{sub 2}AlNO{sub 3} displays the highest adsorption capacity with 3.611 mmol of OII per gram of Mg{sub 2}AlNO{sub 3} at 40 {sup o}C. {yields} Adsorption process does not occur on the surface of the LDH only but an intercalation process is also occurring concomitantly according to the thermodynamical values.

  7. Vehicle Technologies Office Merit Review 2014: Development and...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Energy and GHG Emission Macroeconomic Accounting Tool Vehicle Technologies Office Merit Review 2014: Development and Update of Long-Term Energy and GHG Emission Macroeconomic ...

  8. Analysis & Projections - Pub - U.S. Energy Information Administration...

    U.S. Energy Information Administration (EIA) (indexed site)

    Second AEO2013 Meeting (September 11, 2012) Summary of meeting Industrial preliminary results presentation Macroeconomic presentation Contacts: Kay Smith (Macroeconomic) (202) ...

  9. Macro-Industrial Working Group: meeting 1

    U.S. Energy Information Administration (EIA) (indexed site)

    30 2013 Macroeconomic team: Kay Smith, Russ Tarver, Elizabeth Sendich and Vipin Arora ... concepts that other NEMS modules use Kay Smith, Macroeconomic Industrial Working Group ...

  10. EPA-Integrated Environmental Strategies | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    Background analysis, Co-benefits assessment, - Environmental and Biodiversity, - Health, - Macroeconomic, Implementation, Pathways analysis, Policiesdeployment programs...

  11. Regulation of chloroplast biogenesis: the immutans mutant of Arabidopsis

    SciTech Connect (OSTI)

    Rodermel, Steven

    2015-11-16

    The immutans (im) variegation mutant of Arabidopsis is an ideal model to gain insight into factors that control chloroplast biogenesis. im defines the gene for PTOX, a plastoquinol terminal oxidase that participates in control of thylakoid redox. Here, we report that the im defect can be suppressed during the late stages of plant development by gigantea (gi2), which defines the gene for GIGANTEA (GI), a central component of the circadian clock that plays a poorly-understood role in diverse plant developmental processes. imgi2 mutants are late-flowering and display other well-known phenotypes associated with gi2, such as starch accumulation and resistance to oxidative stress. We show that the restoration of chloroplast biogenesis in imgi2 is caused by a developmental-specific de-repression of cytokinin signaling that involves crosstalk with signaling pathways mediated by gibberellin (GA) and SPINDLY (SPY), a GA response inhibitor. Suppression of the plastid defect in imgi2 is likely caused by a relaxation of excitation pressures in developing plastids by factors contributed by gi2, including enhanced rates of photosynthesis and increased resistance to oxidative stress. Interestingly, the suppression phenotype of imgi can be mimicked by crossing im with the starch accumulation mutant, sex1, perhaps because sex1 utilizes pathways similar to gi. We conclude that our studies provide a direct genetic linkage between GIGANTEA and chloroplast biogenesis, and we construct a model of interactions between signaling pathways mediated by gi, GA, SPY, cytokinins, and sex1 that are required for chloroplast biogenesis.

  12. Insights into accelerated aging of SSL luminaires

    DOE PAGES-Beta [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 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

  13. China's coal market: is peak demand insight?

    U.S. Energy Information Administration (EIA) (indexed site)

    ... extent permitted by law, IHS shall not be liable for any errors or omissions or any loss, damage, or expense incurred by reliance on information or any statement contained herein. ...

  14. Footprinting Technique Gives ALS Users New Insights

    U.S. Department of Energy (DOE) all 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...

  15. 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.

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

    Office of Scientific and Technical Information (OSTI)

    OSTI Identifier: 1182773 Resource Type: Journal Article Resource Relation: Journal Name: ACS Chem. Biol.; Journal Volume: 10; Journal Issue: (5) ; 05, 2015 Research Org: Advanced ...

  17. Analysis Insights, August 2015: Sustainable Transportation (Brochure...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... yield of 43.3 gallons of renewable diesel per ton of lignocellulosic biomass using current gasificationFischer-Tropsch conversion technologies. http:www.nrel.govdocs...

  18. Footprinting Technique Gives ALS Users New Insights

    U.S. Department of Energy (DOE) all 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...

  19. New insights into HIV-1 vaccine design

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    an immune response that can neutralize the diverse viral strains circulating in the human population," said Alan Perelson, of Los Alamos' Theoretical Biology and Biophysics...

  20. 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.

  1. Footprinting Technique Gives ALS Users New Insights

    U.S. Department of Energy (DOE) all 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...

  2. Footprinting Technique Gives ALS Users New Insights

    U.S. Department of Energy (DOE) all 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...

  3. 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.

  4. Insights into Spring 2008 Gasoline Prices

    Reports and Publications

    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.

  5. 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.

  6. Applied Solutions Webinar: Insights Into District Energy

    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...

  7. 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 ...

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

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: ENGLISH Subject: 59 BASIC BIOLOGICAL SCIENCES; 60 APPLIED LIFE SCIENCES; CATALYSTS; CRYSTAL STRUCTURE; ENZYMES; NICOTINAMIDE; ...

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

    U.S. Department of Energy (DOE) all 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...

  10. Luminescence of Ce 3+ -Doped MB2Si2O8 (M = Sr, Ba): A Deeper Insight into the Effects of Electronic Structure and Stokes Shift

    SciTech Connect (OSTI)

    Peng, Qi; Liu, Chunmeng; Hou, Dejian; Zhou, Weijie; Ma, Chong-Geng; Liu, Guokui; Brik, Mikhail G.; Tao, Ye; Liang, Hongbin

    2015-12-18

    A series of Sr 1 -2x CexNaxB2Si2O8 and Ba 1-2x CexKxB2Si2O8 (x = 0.005, 0.01, 0.02, 0.04, 0.06, 0.08) samples were synthesized by a high-temperature solid-state reaction. The low temperature excitation, emission, and fluorescence decay spectra together demonstrated that all spectral bands arise from the Ce 3+ ions located at only one kind of lattice site. The first-principles calculations of the structural and electronic properties of pure and Ce 3+2Si2O8 (M = Sr, Ba) were performed, and the obtained results were used for understanding the structural changes after doping and identification of the observed position of the host absorption bands. The measured 4f-5d excitation and emission spectra of Ce3+ ions doped in MB2Si2O8 were analyzed and simulated in the framework of the crystal-field (CF) theory. The electron-phonon coupling effect generally ignored in most studies published so far was also taken into account by applying the configurational coordinate model. The validity of such a combined insight into the 5d CF energy level positions and the Stokes shift has been confirmed by analyzing the dependence of the Ce 3+

  11. Bottom-Up Energy Analysis System (BUENAS) | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    Lawrence Berkeley National Laboratory Sector: Energy Focus Area: Buildings, Energy Efficiency Topics: Baseline projection, - Macroeconomic, Pathways analysis Resource Type:...

  12. QUARTER SH OR T-T ER M EN ER GY OU TL OO K QUAR TERL Y PROJ

    Gasoline and Diesel Fuel Update

    ... 15 Residual Fuel Oil ......Energy Information Administration Short-Term Energy ... 3 2. Macroeconomic, Oil Price, and Weather Assumptions ...

  13. Macro-Industrial Working Group: meeting 1

    U.S. Energy Information Administration (EIA) (indexed site)

    July 24, 2012 Macroeconomic team: Kay Smith, Russ Tarver, Elizabeth Sendich and Vipin Arora WORKING GROUP PRESENTATION FOR DISCUSSION PURPOSES DO NOT QUOTE OR CITE AS RESULTS ARE SUBJECT TO CHANGE Joint Macro-Industrial Working Group: Annual Energy Outlook 2013 Macroeconomic Modeling Plans Presentation Goals 2 July 24 2012 Joint Macroeconomics and Industrial Working Group * Highlight proposed macroeconomic AEO2013 modeling changes * Description of Proposed Reference Case - Highlight short-term

  14. Macro-Industrial Working Group: meeting 1

    U.S. Energy Information Administration (EIA) (indexed site)

    4 Macro/Industrial Working Group Macroeconomic team: Kay Smith, Russ Tarver, Elizabeth Sendich and Vipin Arora Briefing on Macroeconomic Reference Case for the Annual Energy Outlook 2015 Macro's FY2015 AEO initiatives met 2 Kay Smith, AEO2015 Macroeconomic/Industrial Working Group July 24, 2014 PLEASE DO NOT CITE OR DISTRIBUTE * Review incorporation of completed AEO macroeconomic initiatives. - Incorporation of 2009 based GDP - Use of 2007 supply matrix and its extension to 2012 - The extension

  15. U.S. Energy Information Administration (EIA) - Sector

    Annual Energy Outlook

    RenewableAlternative Nuclear Sector Residential Commercial Industrial Transportation Energy Demand Other Emissions Prices Macroeconomic International Efficiency Publication...

  16. WORKING GROUP PRESENTATION FOR DISCUSSION PURPOSES DO NOT QUOTE...

    Gasoline and Diesel Fuel Update

    TEAM LEADER ANALYSIS INTEGRATION TEAM JAMES TURNURE DIRECTOR OFFICE OF ENERGY CONSUMPTION & EFFICIENCY ANALYSIS FROM: MACROECONOMIC & INDUSTRIAL ENERGY CONSUMPTION & EFFICIENCY ...

  17. Sector trends and driving forces of global energy use and greenhouse gas emissions: focus in industry and buildings

    SciTech Connect (OSTI)

    Price, Lynn; Worrell, Ernst; Khrushch, Marta

    1999-09-01

    Disaggregation of sectoral energy use and greenhouse gas emissions trends reveals striking differences between sectors and regions of the world. Understanding key driving forces in the energy end-use sectors provides insights for development of projections of future greenhouse gas emissions. This report examines global and regional historical trends in energy use and carbon emissions in the industrial, buildings, transport, and agriculture sectors, with a more detailed focus on industry and buildings. Activity and economic drivers as well as trends in energy and carbon intensity are evaluated. The authors show that macro-economic indicators, such as GDP, are insufficient for comprehending trends and driving forces at the sectoral level. These indicators need to be supplemented with sector-specific information for a more complete understanding of future energy use and greenhouse gas emissions.

  18. (Meta)genomic insights into the pathogenome of Cellulosimicrobium cellulans

    DOE PAGES-Beta [OSTI]

    Sharma, Anukriti; Gilbert, Jack A.; Lal, Rup

    2016-05-06

    Despite having serious clinical manifestations, Cellulosimicrobium cellulans remain under-reported with only three genome sequences available at the time of writing. Genome sequences of C. cellulans LMG16121, C. cellulans J36 and Cellulosimicrobium sp. strain MM were used to determine distribution of pathogenicity islands (PAIs) across C. cellulans, which revealed 49 potential marker genes with known association to human infections, e.g. Fic and VbhA toxin-antitoxin system. Oligonucleotide composition-based analysis of orthologous proteins (n = 791) across three genomes revealed significant negative correlation (P < 0.05) between frequency of optimal codons (Fopt) and gene G+C content, highlighting the G+C-biased gene conversion (gBGC) effectmore » across Cellulosimicrobium strains. Bayesian molecular-clock analysis performed on three virulent PAI proteins (Fic; D-alanyl-D-alanine-carboxypeptidase; transposase) dated the divergence event at 300 million years ago from the most common recent ancestor. Synteny-based annotation of hypothetical proteins highlighted gene transfers from non-pathogenic bacteria as a key factor in the evolution of PAIs. Additonally, deciphering the metagenomic islands using strain MM's genome with environmental data from the site of isolation (hot-spring biofilm) revealed (an)aerobic respiration as population segregation factor across the in situ cohorts. Furthermore, using reference genomes and metagenomic data, our results highlight the emergence and evolution of PAIs in the genus Cellulosimicrobium.« less

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

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Department of Energy and Wind Easements & Rights Laws & Local Option Solar Rights Law Solar and Wind Easements & Rights Laws & Local Option Solar Rights Law < Back Eligibility Commercial Industrial Local Government Nonprofit Residential Schools State Government Federal Government Agricultural Institutional Savings Category Solar - Passive Solar Water Heat Solar Space Heat Solar Thermal Electric Solar Thermal Process Heat Solar Photovoltaics Wind (All) Solar Pool Heating

  20. 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. ...

  1. 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 ...

  2. High-Pressure MOF Research Yields Structural Insights

    U.S. Department of Energy (DOE) all 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;...

  3. Hewlett Packard Labs Gains Insights with Innovative ALS Research...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Suhas Kumar. "Using STXM (scanning transmission x-ray microscopy) techniques at the ... mechanisms for memristor operation and aging," explained Williams. "This enhanced ...

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

    DOE PAGES-Beta [OSTI]

    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

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

    Office of Scientific and Technical Information (OSTI)

    When the Clsup - concentration is low, oxygen or hydroxide ion adsorption onto Cu ... Subject: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; ADSORPTION; AMBIENT TEMPERATURE; ...

  6. 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.

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

    U.S. Department of Energy (DOE) all 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...

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

    U.S. Department of Energy (DOE) all 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...

  9. High-Pressure MOF Research Yields Structural Insights

    U.S. Department of Energy (DOE) all 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...

  10. Structural Insights into FeMo Cofactor Biosynthesis

    U.S. Department of Energy (DOE) all 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...

  11. Microscopic insight into the origin of enhanced glass-forming...

    Office of Scientific and Technical Information (OSTI)

    OSTI Identifier: 22482163 Resource Type: Journal Article Resource Relation: Journal Name: Applied Physics Letters; Journal Volume: 107; Journal Issue: 13; Other Information: (c) ...

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

    Energy.gov (indexed) [DOE]

    Development of High Performance Heavy Duty Engine Oils Verification of Shell GTL Fuel as CARB Alternative Diesel Effects of Fuel Dilution with Biodiesel on Lubricant Acidity, ...

  13. Mechanistic Insights into the Structure-Dependent Selectivity...

    Office of Scientific and Technical Information (OSTI)

    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 ...

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

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    manipulating and manufacturing particles at a level that is one-billionth of a meter small. For example, her examination of the fluid-mineral interface in carbonate...

  15. 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.

  16. Molecular Insights into Crimean-Congo Hemorrhagic Fever Virus

    DOE PAGES-Beta [OSTI]

    Zivcec, Marko; Scholte, Florine; Spiropoulou, Christina; Spengler, Jessica; Bergeron, Éric

    2016-04-21

    Crimean-Congo hemorrhagic fever virus (CCHFV) is a tick-borne pathogen that causes high morbidity and mortality. Efficacy of vaccines and antivirals to treat human CCHFV infections remains limited and controversial. Research into pathology and underlying molecular mechanisms of CCHFV and other nairoviruses is limited. Significant progress has been made in our understanding of CCHFV replication and pathogenesis in the past decade. Here we review the most recent molecular advances in CCHFV-related research, and provide perspectives on future research.

  17. Insight into Sulfur Reactions in Li–S 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 Li–S 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 Li–S 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 Li–S 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 Li–S battery.

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

    U.S. Department of Energy (DOE) all 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...

  19. Proteins' Amazing Origami Powers: Insight for Potential Disease...

    Energy.gov (indexed) [DOE]

    that instead of creating a crane or a cat, you actually produce a working machine. ... be critical in determining the final form (whether a bat or a hat or a crane or a cat). ...

  20. Converting Methane to Methanol: Structural Insight into the Reaction...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Raquel L. Lieberman,* Amy C. Rosenzweig,* and Timothy L. Stemmler *Depts. of Biochemistry, Molecular Biology, and Cell Biology and of Chemistry, Northwestern University, Evanston, ...

  1. Hydraulic fracturing: insights from field, lab, and numerical...

    Office of Scientific and Technical Information (OSTI)

    Sponsoring Org: USDOE Country of Publication: United States Language: English Subject: 03 NATURAL GAS; 58 GEOSCIENCES; 15 GEOTHERMAL ENERGY; 02 PETROLEUM; 04 OIL SHALES AND TAR ...

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

    Office of Scientific and Technical Information (OSTI)

    The activity of Mps1 is tightly regulated and increases dramatically during mitosis or in ... Subject: 36 MATERIALS SCIENCE; AMIDES; CRYSTAL STRUCTURE; LYSINE; MITOSIS; MUTATIONS; ...

  3. 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.

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

    Energy.gov (indexed) [DOE]

    Investigator: Dragica Vasileska Project Summary: ASU will develop a tool to study the fundamentals behind performance and metastabilities of CdTe thin-film photovoltaics (PV). ...

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

    Office of Scientific and Technical Information (OSTI)

    exposure to high concentrations of heavy metals, nitric acid and organic solvents (;;50 ... metagenomics; microbial ecology; bioremediation Word Cloud More Like This Full Text ...

  6. 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.

  7. Hunting for Big Bang neutrinos that could provide fresh insight...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... The extreme cold will keep the calorimeter poised between a superconducting state - one in ... of the sun as it investigates fusion reactions as the energy for generating electricity. ...

  8. Genomic insights into salt adaptation in a desert poplar

    SciTech Connect (OSTI)

    Ma, Tao; Wang, Junyi; Zhou, Gongke; Yue, Zhen; Hu, Quanjun; Chen, Yan; Liu, Bingbing; Qiu, Qiang; Wang, Zhuo; Zhang, Jian; Wang, Kun; Jaing, Dechun; Gou, Caiyun; Yu, Lili; Zhan, Dongliang; Zhou, Ran; Luo, Wenchun; Ma, Hui; Yang, Yongzhi; Pan, Shengkai; Fang, Dongming; Luo, Yadan; Wang, Xia; Wang, Gaini; Wang, Juan; Wang, Qian; Lu, Xu; Chen, Zhe; Liu, Jinchao; Lu, Yao; Yin, Ye; Yang, Huanming; Abbott, Richard; Wu, Yuxia; Wan, Dongshi; Li, Jia; Yin, Tongming; Yin, Tongming; Lascoux, Martin; DiFazio, Steven P; Tuskan, Gerald A; Wang, Jun; Jianquan, Liu

    2013-01-01

    Despite the high economic and ecological importance of forests, our knowledge of the genomic evolution of trees under salt stress remains very limited. Here we report the genome sequence of the desert poplar, Populus euphratica, which exhibits high tolerance to sa lt stress. Its genome is very similar and collinear to that of the closely related mesophytic congener, P trichocarpa. However, we find that several gene families likely to be involved in tolerance to salt stress contain significantly more gene copies within the P euphratica lineage. Furthermore, genes showing evidence of positive selection are significantly enriched in functional categories related to salt stress. Some of these genes, and others within the same categories, are significantly upregulated under salt stress relative to their expression in another salt-sensitive poplar. Our results provide an important background for understanding tree adaptation to salt stress and facilitating the genetic improvement of cultivated poplars for saline soils.

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

    Office of Scientific and Technical Information (OSTI)

    Commun.; Journal Volume: 4; Journal Issue: 09, 2013 Research Org: Advanced Photon Source ... Country of Publication: United States Language: ENGLISH Word Cloud More Like This Full ...

  10. Ribosome research in atomic detail offers potential insights into cancer,

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Technologies-2015 Update | Department of Energy Five Clean Energy Technologies-2015 Update Revolution Now: The Future Arrives for Five Clean Energy Technologies-2015 Update An illustrated infographic showing the falling costs for clean energy technologies including wind, solar, buildings, and lightin For decades, America has anticipated the transformational impact of clean energy technologies. As the federal government and industry made long-term investments to support those technologies,

  11. 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.

  12. Criegee intermediates in the indoor environment. New insights

    SciTech Connect (OSTI)

    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.

  13. Enzyme Structure Provides Insights into Cancer and Aging

    U.S. Department of Energy (DOE) all 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...

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

    U.S. Department of Energy (DOE) all 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...

  15. 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.

  16. Neutrons provide new insights into human cell behavior

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    "Neutrons have advantages over other imaging probes, such as x-rays, because they don't kill the cells, can reach deeply buried structures and allow us to see layers of proteins, ...

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

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Towards a deeper ... Publication Date: 2007-03-01 OSTI Identifier: 926613 Report ... Resource Type: Journal Article Resource Relation: ...

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

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... Study: "Innate and Adaptive Humoral Responses Coat Distinct Commensal Bacteria with Immunoglobulin A" The image shows staining and quantification of IgA-bound bacteria in the small ...

  19. Chapter 7: New Insights into Microbial Strategies for Biomass...

    Office of Scientific and Technical Information (OSTI)

    Conversion of Biomass to Advanced Biofuels Publisher: Amsterdam, Netherlands: ... PHYSICAL, AND ANAYLYTICAL CHEMISTRY biofuels; biomass; cellulases; natural paradigms; ...

  20. Fort Yukon Gains Heat and Insight with Biomass Project | Department...

    Office of Environmental Management (EM)

    featuring a combined heat and power (CHP) system to generate electricity and useful ... in what Hughes believes to be the first known off-grid, off-road biomass CHP project. ...

  1. High-Pressure MOF Research Yields Structural Insights

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ... A whole new family of piezofunctional materials may arise from the study of MOFs under ... Solid black lines in the bottom represent calculated mean planes. The O1-Zn1-O2' internal ...

  2. Course Title: Unconscious Bias: Insights For Inclusive Management...

    Energy.gov (indexed) [DOE]

    ... IBBVOA, NLRB, DOD Experience delivering training to law enforcement professionals at FBI Academy, US Secret Service, DHS, US Park Police, US Marshals Service, FEMA, ATF, DEA, ...

  3. 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.

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

    Office of Scientific and Technical Information (OSTI)

    Resource Type: Journal Article Resource Relation: Journal Name: Nature; Journal Volume: ... Language: ENGLISH Word Cloud More Like This Full Text Journal Articles DOI: 10.1038nature...

  5. Enzyme Structure Provides Insights into Cancer and Aging

    U.S. Department of Energy (DOE) all 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...

  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. New Insights into Reaction Mechanisms of Ethanol Steam Reforming...

    Office of Scientific and Technical Information (OSTI)

    Authors: Sun, Junming ; Karim, Ayman M. ; Mei, Donghai ; Engelhard, Mark H. ; Bao, Xinhe ; Wang, Yong Publication Date: 2015-01-01 OSTI Identifier: 1177707 Report Number(s): ...

  8. Molecular Theory of Detonation Initiation: Insight from First...

    Office of Scientific and Technical Information (OSTI)

    ... Figure 4. The structure of (a) an HMX molecule; (b) an HMX ideal crystal; and (c) a model ... to the 3-phase) was attributed to a growing number of voids during the phase ...

  9. Supercomputing Model Provides Insights from Higher Wind and Solar...

    Energy.gov (indexed) [DOE]

    tools to model, in unprecedented detail, how the power grid of the eastern United States could operationally accommodate higher levels of wind and solar photovoltaic generation. ...

  10. High-Pressure MOF Research Yields Structural Insights

    U.S. Department of Energy (DOE) all 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...

  11. High-Pressure MOF Research Yields Structural Insights

    U.S. Department of Energy (DOE) all 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. 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: ...

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

    Office of Scientific and Technical Information (OSTI)

    Bacteria have evolved pathways to metabolize phosphonates as a nutrient source for ... ACETATES; ALKALINE PHOSPHATASE; BACTERIA; CLEAVAGE; CRYSTAL STRUCTURE; ENZYMES; ...

  15. Proteomics of ovarian cancer: functional insights and clinical applications

    SciTech Connect (OSTI)

    Elzek, Mohamed A.; Rodland, Karin D.

    2015-03-04

    In the past decade, there has been an increasing interest in applying proteomics to assist in understanding the pathogenesis of ovarian cancer, elucidating the mechanism of drug resistance, and in the development of biomarkers for early detection of ovarian cancer. Although ovarian cancer is a spectrum of different diseases, the strategies for diagnosis and treatment with surgery and adjuvant therapy are similar across ovarian cancer types, increasing the general applicability of discoveries made through proteomics research. While proteomic experiments face many difficulties which slow the pace of clinical applications, recent advances in proteomic technology contribute significantly to the identification of aberrant proteins and networks which can serve as targets for biomarker development and individualized therapies. This review provides a summary of the literature on proteomics’ contributions to ovarian cancer research and highlights the current issues, future directions, and challenges. In conclusion, we propose that protein-level characterization of primary lesion in ovarian cancer can decipher the mystery of this disease, improve diagnostic tools, and lead to more effective screening programs.

  16. Proteomics of ovarian cancer: functional insights and clinical applications

    DOE PAGES-Beta [OSTI]

    Elzek, Mohamed A.; Rodland, Karin D.

    2015-03-04

    In the past decade, there has been an increasing interest in applying proteomics to assist in understanding the pathogenesis of ovarian cancer, elucidating the mechanism of drug resistance, and in the development of biomarkers for early detection of ovarian cancer. Although ovarian cancer is a spectrum of different diseases, the strategies for diagnosis and treatment with surgery and adjuvant therapy are similar across ovarian cancer types, increasing the general applicability of discoveries made through proteomics research. While proteomic experiments face many difficulties which slow the pace of clinical applications, recent advances in proteomic technology contribute significantly to the identification ofmore » aberrant proteins and networks which can serve as targets for biomarker development and individualized therapies. This review provides a summary of the literature on proteomics’ contributions to ovarian cancer research and highlights the current issues, future directions, and challenges. In conclusion, we propose that protein-level characterization of primary lesion in ovarian cancer can decipher the mystery of this disease, improve diagnostic tools, and lead to more effective screening programs.« less

  17. New insight on global QCD fits using Regge theory

    SciTech Connect (OSTI)

    Soyez, G.

    2005-06-14

    In global QCD fits, one has to choose an initial parton distribution at Q{sup 2} = Q{sub 0}{sup 2}. I shall argue that the initial condition chosen in usual standard sets is inconsistent with analytic S-matrix theory. I shall show how one can combine these two approaches, leading to a Regge-compatible next-to-leading order global QCD fit. This allows one to extend the parametrisation in the low-Q2 region. Finally, I shall discuss how it it possible to use the Dokshitzer-Gribov-Lipatov-Altarelli-Parisi (DGLAP) equation to obtain information on Regge models at high Q2.

  18. Oak Ridge Centers for Manufacturing Technology ? Insights from...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    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)...

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

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Read the abstract: http:iopscience.iop.org0741-3335559095006 Contact Info PPPL Office of Communications Email: PPPLOOC@pppl.gov Phone: 609-243-2755 Download Select and View ...

  20. Deep Insights from Thin Layers | Department of Energy

    Energy.gov (indexed) [DOE]

    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 ...

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

    Energy.gov (indexed) [DOE]

    ... This project will develop a non-invasive optical detection technique based on hyperspectral near infrared imaging of PV modules. SunPower Corporation Location: San Jose, CA SunShot ...

  2. Los Alamos offers new insights into radiation damage evolution

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    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 ...

  3. Insights from Hydrogen Refueling Station Manufacturing Competitiveness Analysis

    Energy.gov [DOE]

    NREL is collaborating with Great Lakes Wind Network on comprehensive hydrogen refueling stations manufacturing competitiveness and supply chain analyses. This presentation to the 2015 Fuel Cell...

  4. EM Official Shares Insight at Women’s Conference

    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.

  5. Structural and functional insight into an unexpectedly selective...

    Office of Scientific and Technical Information (OSTI)

    of the National Academy of Sciences of the United States of America; Journal Volume: 110; Journal Issue: (32) ; 08, 2013 Publisher: National Academy of Sciences, ...

  6. High-Pressure MOF Research Yields Structural Insights

    U.S. Department of Energy (DOE) all 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...

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

    Open Energy Information (Open El) [EERE & EIA]

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

  8. 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.

  9. Physics of Reliability: Evaluating Design Insights for Component

    Energy Savers

    Energy | Department of Energy White House Leadership Summit on Women, Climate and Energy Photo of the Week: White House Leadership Summit on Women, Climate and Energy May 23, 2013 - 5:17pm Addthis Today, newly sworn-in Secretary of Energy Dr. Ernest Moniz delivered welcoming remarks at the White House Leadership Summit on Women, Climate and Energy. The event gathered 100 of the nation's top women in climate and energy to discuss priorities and solutions to challenges in these fields. They

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

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Inside the Crystal Ball: New Approaches to Predicting the Gasoline Price at the Pump Christiane Baumeister, Bank of Canada Lutz Kilian, University of Michigan Thomas K. Lee, U.S. Energy Information Administration April 2015 Independent Statistics & Analysis www.eia.gov U.S. Energy Information Administration Washington, DC 20585 This paper is released to encourage discussion and critical comment. The analysis and conclusions expressed here are those of the authors and not necessarily those of

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

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    But harnessing energy from fusion, the process that powers the sun, has proven to be an extremely difficult challenge. Scientists have been working to accomplish efficient, ...

  12. 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.

  13. Biochemical and Structural Insights into Xylan Utilization by...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Journal Name: Journal of Biological Chemistry; Journal Volume: 287; Journal Issue: (42) ; 10, 2012 Publisher: American Society for Biochemistry and Molecular ...

  14. Biochemical and Structural Insights into the Preference of Nairoviral...

    Office of Scientific and Technical Information (OSTI)

    The enzymatic activities of vOTUs originating from the Crimean-Congo hemorrhagic fever virus, Erve virus, and Nairobi sheep disease virus were tested against ISG15s from humans, ...

  15. Criegee intermediates in the indoor environment. New insights

    DOE PAGES-Beta [OSTI]

    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.

  16. New Insight into Carbon Nanotube Electronic Structure Selectivity

    SciTech Connect (OSTI)

    Sumpter, Bobby G; Meunier, Vincent; Jiang, Deen

    2009-01-01

    The fundamental role of aryl diazonium salts for post synthesis selectivity of carbon nanotubes is investigated using extensive electronic structure calculations. The resulting understanding for diazonium salt based selective separation of conducting and semiconducting carbon nanotubes shows how the primary contributions come from the interplay between the intrinsic electronic structure of the carbon nanotubes and that of the anion of the salt. We demonstrate how the electronic transport properties change upon the formation of charge transfer complexes and upon their conversion into covalently attached functional groups. Our results are found to correlate well with experiments and provide for the first time an atomistic description for diazonium salt based chemical separation of carbon nanotubes

  17. New insights into reaction mechanisms of ethanol steam reforming...

    Office of Scientific and Technical Information (OSTI)

    Additional Journal Information: Journal Volume: 162; Journal Issue: C; Journal ID: ISSN 0926-3373 Publisher: Elsevier Sponsoring Org: USDOE Office of Science (SC), Biological and ...

  18. High-Pressure MOF Research Yields Structural Insights

    U.S. Department of Energy (DOE) all 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...

  19. Molecular Theory of Detonation Initiation: Insight from First...

    Office of Scientific and Technical Information (OSTI)

    decomposition of molecules and materials containing defects. ... Additional Journal Information: Journal Volume: 21; Journal Issue: 2; Journal ID: ISSN 1420-3049 Publisher: MDPI Research ...

  20. Enzyme Structure Provides Insights into Cancer and Aging

    U.S. Department of Energy (DOE) all 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...

  1. ImSET 3.1: Impact of Sector Energy Technologies Model Description and User's Guide

    SciTech Connect (OSTI)

    Scott, Michael J.; Livingston, Olga V.; Balducci, Patrick J.; Roop, Joseph M.; Schultz, Robert W.

    2009-05-22

    This 3.1 version of the Impact of Sector Energy Technologies (ImSET) model represents the next generation of the previously-built ImSET model (ImSET 2.0) that was developed in 2005 to estimate the macroeconomic impacts of energy-efficient technology in buildings. In particular, a special-purpose version of the Benchmark National Input-Output (I-O) model was designed specifically to estimate the national employment and income effects of the deployment of Office of Energy Efficiency and Renewable Energy (EERE)–developed energy-saving technologies. In comparison with the previous versions of the model, this version features the use of the U.S. Bureau of Economic Analysis 2002 national input-output table and the central processing code has been moved from the FORTRAN legacy operating environment to a modern C++ code. ImSET is also easier to use than extant macroeconomic simulation models and incorporates information developed by each of the EERE offices as part of the requirements of the Government Performance and Results Act. While it does not include the ability to model certain dynamic features of markets for labor and other factors of production featured in the more complex models, for most purposes these excluded features are not critical. The analysis is credible as long as the assumption is made that relative prices in the economy would not be substantially affected by energy efficiency investments. In most cases, the expected scale of these investments is small enough that neither labor markets nor production cost relationships should seriously affect national prices as the investments are made. The exact timing of impacts on gross product, employment, and national wage income from energy efficiency investments is not well-enough understood that much special insight can be gained from the additional dynamic sophistication of a macroeconomic simulation model. Thus, we believe that this version of ImSET is a cost-effective solution to estimating the economic

  2. Macro-Industrial Working Group 2

    U.S. Energy Information Administration (EIA) (indexed site)

    2 Macro-Industrial Working Group Macroeconomic Analysis Team: Kay Smith, Team Leader, Elizabeth Sendich, Russ Tarver, and Vipin Aurora September 11, 2012 | Washington, DC Macro section WORKING GROUP PRESENTATION FOR DISCUSSION PURPOSES DO NOT QUOTE OR CITE AS RESULTS ARE SUBJECT TO CHANGE Overview Macroeconomic Team, Washington, DC, Sept. 11, 2012 2 * The overall macroeconomic outlook * The detailed industrial production outlook * Summary employment and commercial floor space outlook *

  3. Analysis & Projections - Pub - U.S. Energy Information Administration (EIA)

    U.S. Energy Information Administration (EIA) (indexed site)

    Macroeconomic AEO2017 Meetings First AEO2017 Meeting (July 28, 2016) Summary of meeting Macroeconomic modeling plans presentation Prior years meetings were combined with Industrial group AEO2016 Meetings First AEO2016 Meeting (December 3, 2015) Summary of meeting Macroeconomic modeling plans presentation Industrial modeling plans presentation Second AEO2016 Meeting (March 21, 2016) Summary of meeting Industrial modeling plans presentation AEO2015 Meetings First AEO2015 Meeting (July 24, 2014)

  4. Microsoft Word - Highlights.doc

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Near-term prices in this Outlook, however, remain somewhat ... EIA's forecast is based on a macroeconomic outlook that ... The annual average diesel fuel retail prices are expected ...

  5. U.S. Energy Information Administration (EIA) - Pub

    Annual Energy Outlook

    methanol, ethanol, compressed natural gas (CNG), liquefied natural gas (LNG), and hydrogen-in the transportation sector, subject to delivered energy prices, macroeconomic...

  6. Supervisory Economist

    Energy.gov [DOE]

    This position is located in the Macroeconomic Analysis Team, Office of Energy Markets and Financial Analysis, Assistant Administrator for Energy Analysis, Energy Information Administration (EIA)....

  7. DOE LNG Exports Announcements - May 29, 2014 | Department of...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    In addition, the Department will initiate an updated macroeconomic study and is releasing two environmental reports that explore the environmental impacts of unconventional natural ...

  8. Does "Paper Oil" Matter? Executive Summary

    Gasoline and Diesel Fuel Update

    for macroeconomic and energy- market fundamentals, variations in the composition of the ... In sum we find that, besides market fundamentals, energy-equity comovements are positively ...

  9. Global Trade Analysis Project (GTAP) Data Base | Open Energy...

    Open Energy Information (Open El) [EERE & EIA]

    TOOL Name: GTAP 6 Data Base AgencyCompany Organization: Purdue University Sector: Energy Topics: Policiesdeployment programs, Co-benefits assessment, - Macroeconomic,...

  10. Ventana's Energy, Environment, Economy-Society (E3S) Model |...

    Open Energy Information (Open El) [EERE & EIA]

    Organization: Ventana Systems Inc. Partner: United States Department of Energy Sector: Climate, Energy Topics: Co-benefits assessment, - Macroeconomic, Pathways analysis...

  11. International Monetary Fund | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    works with developing nations to help them achieve macroeconomic stability and reduce poverty." References "International Monetary Fund" Retrieved from "http:en.openei.org...

  12. An Updated Annual Energy Outlook 2009 Reference Case Reflecting Provisions of the American Recovery and Reinvestment Act and Recent Changes in the Economic Outlook

    Reports and Publications

    2009-01-01

    This report updates the Reference Case presented in the Annual Energy Outlook 2009 based on recently enacted legislation and the changing macroeconomic environment.

  13. Macro-Industrial Working Group: meeting 1

    Annual Energy Outlook

    ... by category for different projection periods shows strong net export growth in "waves" 9 Kay Smith, AEO2015 MacroeconomicIndustrial Working Group July 24, 2014 PLEASE DO ...

  14. The Gut Microbiota: Ecology and Function

    SciTech Connect (OSTI)

    Willing, B.P.; Jansson, J.K.

    2010-06-01

    The gastrointestinal (GI) tract is teeming with an extremely abundant and diverse microbial community. The members of this community have coevolved along with their hosts over millennia. Until recently, the gut ecosystem was viewed as black box with little knowledge of who or what was there or their specific functions. Over the past decade, however, this ecosystem has become one of fastest growing research areas of focus in microbial ecology and human and animal physiology. This increased interest is largely in response to studies tying microbes in the gut to important diseases afflicting modern society, including obesity, allergies, inflammatory bowel diseases, and diabetes. Although the importance of a resident community of microorganisms in health was first hypothesized by Pasteur over a century ago (Sears, 2005), the multiplicity of physiological changes induced by commensal bacteria has only recently been recognized (Hooper et al., 2001). The term 'ecological development' was recently coined to support the idea that development of the GI tract is a product of the genetics of the host and the host's interactions with resident microbes (Hooper, 2004). The search for new therapeutic targets and disease biomarkers has escalated the need to understand the identities and functions of the microorganisms inhabiting the gut. Recent studies have revealed new insights into the membership of the gut microbial community, interactions within that community, as well as mechanisms of interaction with the host. This chapter focuses on the microbial ecology of the gut, with an emphasis on information gleaned from recent molecular studies.

  15. Microbial community proteomics for characterizing the range of metabolic functions and activities of human gut microbiota

    DOE PAGES-Beta [OSTI]

    Xiong, Weili; Abraham, Paul E.; Li, Zhou; Pan, Chongle; Robert L. Hettich

    2015-01-01

    We found that the human gastrointestinal (GI) tract is a complex, dynamic ecosystem that consists of a carefully tuned balance of human host and microbiota membership. The microbiome component is not insignificant, but rather provides important functions that are absolutely critical to many aspects of human health, including nutrient transformation and absorption, drug metabolism, pathogen defense, and immune system development. Microbial community proteomics (sometimes referred to as metaproteomics) provides a powerful approach to measure the range and details of human gut microbiota functions and metabolic activities, revealing information about microbiome development and stability especially with regard to human health vs.more » disease states. In most cases, both microbial and human proteins are extracted from fecal samples and then measured by the high performance MS-based proteomics technology. We review the field of human gut microbiome community proteomics, with a focus on the experimental and informatics considerations involved in characterizing systems that range from low complexity defined model gut microbiota in gnotobiotic mice, to the simple gut microbiota in the GI tract of newborn infants, and finally to the complex gut microbiota in adults. Moreover, the current state-of-the-art in experimental and bioinformatics capabilities for community proteomics enable a detailed measurement of the gut microbiota, yielding valuable insights into the broad functional profiles of even complex microbiota. Future developments are likely to expand into improved analysis throughput and coverage depth, as well as post-translational modification characterizations.« less

  16. Insights into riming and aggregation processes as revealed by aircraft, radar, and disdrometer observations for a 27 April 2011 widespread precipitation event: Insights into Riming and Aggregation

    DOE PAGES-Beta [OSTI]

    Giangrande, Scott E.; Toto, Tami; Bansemer, Aaron; Kumjian, Matthew R.; Mishra, Subhashree; Ryzhkov, Alexander V.

    2016-05-19

    Our study presents aircraft spiral ascent and descent observations intercepting a transition to riming processes during widespread stratiform precipitation. The sequence is documented using collocated scanning and profiling radar, including longer-wavelength dual polarization measurements and shorter-wavelength Doppler spectra. Riming regions are supported using aircraft measurements recording elevated liquid water concentrations, spherical particle shapes, and saturation with respect to water. Profiling cloud radar observations indicate riming regions during the event as having increasing particle fall speeds, rapid time-height changes, and bimodalities in Doppler spectra. These particular riming signatures are coupled to scanning dual polarization radar observations of higher differential reflectivity (ZDR)more » aloft. Moreover, reduced melting layer enhancements and delayed radar bright-band signatures in the column are also observed during riming periods, most notably with the profiling radar observations. The bimodal cloud radar Doppler spectra captured near riming zones indicate two time-height spectral ice peaks, one rimed particle peak, and one peak associated with pristine ice needle generation and/or growth between -4°C and -7°C also sampled by aircraft probes. We observe this pristine needle population near the rimed particle region which gives a partial explanation for the enhanced ZDR. The riming signatures aloft and radar measurements within the melting level are weakly lag correlated (r~0.6) with smaller median drop sizes at the surface, as compared with later times when aggregation of larger particle sizes was believed dominant.« less

  17. Prosperity Games prototyping with the American Electronics Association, March 8--9, 1994

    SciTech Connect (OSTI)

    Berman, M.; VanDevender, J.P.

    1994-08-01

    Prosperity Games are an outgrowth and adaptation of move/countermove and seminar War Games. Prosperity Games are simulations that explore complex issues in a variety of areas including economics, politics, sociology, environment, education and research. These issues can be examined from a variety of perspectives ranging from a global, macroeconomic and geopolitical viewpoint down to the details of customer/supplier/market interactions in specific industries. All Prosperity Games are unique in that both the game format and the player contributions vary from game to game. This report documents the Prosperity Game conducted under the sponsorship of the American Electronics Association in conjunction with the Electronics Subcommittee of the Civilian Industrial Technology Committee of the National Science and Technology Council. Players were drawn from government, national laboratories, and universities, as well as from the electronics industry. The game explored policy changes that could enhance US competitiveness in the manufacturing of consumer electronics. Two teams simulated a presidentially appointed commission comprised of high-level representatives from government, industry, universities and national laboratories. A single team represented the foreign equivalent of this commission, formed to develop counter strategies for any changes in US policies. The deliberations and recommendations of these teams provide valuable insights as to the views of this diverse group of decision makers concerning policy changes, foreign competition, and the development, delivery and commercialization of new technologies.

  18. Economic and policy implications of pandemic influenza.

    SciTech Connect (OSTI)

    Smith, Braeton J.; Starks, Shirley J.; Loose, Verne W.; Brown, Theresa Jean; Warren, Drake E.; Vargas, Vanessa N.

    2010-03-01

    Pandemic influenza has become a serious global health concern; in response, governments around the world have allocated increasing funds to containment of public health threats from this disease. Pandemic influenza is also recognized to have serious economic implications, causing illness and absence that reduces worker productivity and economic output and, through mortality, robs nations of their most valuable assets - human resources. This paper reports two studies that investigate both the short- and long-term economic implications of a pandemic flu outbreak. Policy makers can use the growing number of economic impact estimates to decide how much to spend to combat the pandemic influenza outbreaks. Experts recognize that pandemic influenza has serious global economic implications. The illness causes absenteeism, reduced worker productivity, and therefore reduced economic output. This, combined with the associated mortality rate, robs nations of valuable human resources. Policy makers can use economic impact estimates to decide how much to spend to combat the pandemic influenza outbreaks. In this paper economists examine two studies which investigate both the short- and long-term economic implications of a pandemic influenza outbreak. Resulting policy implications are also discussed. The research uses the Regional Economic Modeling, Inc. (REMI) Policy Insight + Model. This model provides a dynamic, regional, North America Industrial Classification System (NAICS) industry-structured framework for forecasting. It is supported by a population dynamics model that is well-adapted to investigating macro-economic implications of pandemic influenza, including possible demand side effects. The studies reported in this paper exercise all of these capabilities.

  19. Industrial Partnership Prosperity Game{trademark}

    SciTech Connect (OSTI)

    Boyak, K.; Berman, M.; Beck, D.

    1998-02-01

    Prosperity Games TM are an outgrowth and adaptation move/countermove and seminar War Games. Prosperity Games TM are simulations that explore complex issues in a variety of areas including economics, politics, sociology, environment, education, and research. These issues can be examined from a variety of perspectives ranging from a global, macroeconomic and geopolitical viewpoint down to the details of customer/supplier/market interactions in specific industries. All Prosperity Games TM are unique in that both the game format and the player contributions vary from game to game. This report documents the Industry Partnership Prosperity Game sponsored by the Technology Partnerships and Commercialization Center at Sandia National Laboratories. Players came from the Sandia line organizations, the Sandia business development and technology partnerships organizations, the US Department of Energy, academia, and industry The primary objectives of this game were to: explore ways to increase industry partnerships to meet long-term Sandia goals; improve Sandia business development and marketing strategies and tactics; improve the process by which Sandia develops long-term strategic alliances. The game actions and recommendations of these players provided valuable insights as to what Sandia can do to meet these objectives.

  20. Material World: Forecasting Household Appliance Ownership in a Growing Global Economy

    SciTech Connect (OSTI)

    Letschert, Virginie; McNeil, Michael A.

    2009-03-23

    Over the past years the Lawrence Berkeley National Laboratory (LBNL) has developed an econometric model that predicts appliance ownership at the household level based on macroeconomic variables such as household income (corrected for purchase power parity), electrification, urbanization and climate variables. Hundreds of data points from around the world were collected in order to understand trends in acquisition of new appliances by households, especially in developing countries. The appliances covered by this model are refrigerators, lighting fixtures, air conditioners, washing machines and televisions. The approach followed allows the modeler to construct a bottom-up analysis based at the end use and the household level. It captures the appliance uptake and the saturation effect which will affect the energy demand growth in the residential sector. With this approach, the modeler can also account for stock changes in technology and efficiency as a function of time. This serves two important functions with regard to evaluation of the impact of energy efficiency policies. First, it provides insight into which end uses will be responsible for the largest share of demand growth, and therefore should be policy priorities. Second, it provides a characterization of the rate at which policies affecting new equipment penetrate the appliance stock. Over the past 3 years, this method has been used to support the development of energy demand forecasts at the country, region or global level.

  1. Future{at}Labs.Prosperity Game{trademark}

    SciTech Connect (OSTI)

    Beck, D.F.; Boyack, K.W.; Berman, M.

    1996-10-01

    Prosperity Games{trademark} are an outgrowth and adaptation of move/countermove and seminar War Games, Prosperity Games{trademark} are simulations that explore complex issues in a variety of areas including economics, politics, sociology, environment, education, and research. These issues can be examined from a variety of perspectives ranging from global, macroeconomic and geopolitical viewpoint down to the details of customer/supplier/market interactions specific industries. All Prosperity Games{trademark} are unique in that both the game format and the player contributions vary from game to game. This report documents the Future{at}Labs.Prosperity Game{trademark} conducted under the sponsorship of the Industry Advisory Boards of the national labs, the national labs, Lockheed Martin Corporation, and the University of California. Players were drawn from all stakeholders involved including government, industry, labs, and academia. The primary objectives of this game were to: (1) explore ways to optimize the role of the multidisciplinary labs in serving national missions and needs; (2) explore ways to increase collaboration and partnerships among government, laboratories, universities, and industry; and (3) create a network of partnership champions to promote findings and policy options. The deliberations and recommendations of these players provided valuable insights as to the views of this diverse group of decision makers concerning the future of the labs.

  2. Prosperity Games prototyping with the board of governors of the Electronic Industries Association, January 20--21, 1994

    SciTech Connect (OSTI)

    Bermann, M.; VanDevender, J.P.

    1994-08-01

    Prosperity Games are an outgrowth and adaptation of move/countermove and seminar War Games. Prosperity Games are simulations that explore complex issues in a variety of areas including economics, politics, sociology, environment, education and research. These issues can be examined from a variety of perspectives ranging from a global, macroeconomic and geopolitical viewpoint down to the details of customer/supplier/market interactions in specific industries. All Prosperity Games are unique in that both the game format and the player contributions vary from game to game. This report documents the Prosperity Game conducted under the sponsorship of the Electronic Industries Association. Almost all of the players were from the electronics industry. The game explored policy changes that could enhance US competitiveness in the manufacturing of consumer electronics. Four teams simulated a presidentially appointed commission comprised of high-level representatives from government, industry, universities and national laboratories. A single team represented the foreign equivalent of this commission, formed to develop counter strategies for any changes in US policies. The deliberations and recommendations of these teams provide valuable insights as to the views of this industry concerning policy changes, foreign competition, and the development, delivery and commercialization of new technologies.

  3. Environmental Prosperity Game. Final report

    SciTech Connect (OSTI)

    Berman, M.; Boyack, K.; VanDevender, J.P.

    1995-12-01

    Prosperity Games are an outgrowth and adaptation of move/countermove and seminar War Games. Prosperity Games are simulations that explore complex issues in a variety of areas including economics, politics, sociology, environment, education and research. These issues can be examined from a variety of perspectives ranging from a global, macroeconomic and geopolitical viewpoint down to the details of customer/supplier/market interactions in specific industries. All Prosperity Games are unique in that both the game format and the player contributions vary from game to game. This report documents the Environmental Prosperity Game conducted under the sponsorship of the Silicon Valley Environmental Partnership. Players were drawn from all stakeholders involved in environmental technologies including small and large companies, government, national laboratories, universities, environmentalists, the legal profession, finance, and the media. The primary objectives of this game were to: investigate strategies for developing a multi-agency (national/state/regional), one-step regulatory approval process for certifying and implementing environmental technologies and evaluating the simulated results; identify the regulatory hurdles and requirements, and the best approaches for surmounting them; identify technical problems and potential resources (environmental consultants, labs, universities) for solving them. The deliberations and recommendations of these players provided valuable insights as to the views of this diverse group of decision makers concerning environmental issues, including the development, licensing, and commercialization of new technologies.

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

    SciTech Connect (OSTI)

    none,

    2012-04-01

    This builder worked with IBACOS to design HERS-49 homes with high-efficiency HVAC, ducts in insulated crawl spaces, raised heel trusses, dehumidifiers, and central manifold plumbing.

  5. 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.

  6. 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.

  7. Insights into Acetate Toxicity in Zymomonas mobilis 8b using Different Substrates

    SciTech Connect (OSTI)

    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.

  8. CO oxidation on gold-supported iron oxides: New insights into strong oxide–metal interactions

    DOE PAGES-Beta [OSTI]

    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

  9. The Cost of Jointness: Insights from Environmental Monitoring Systems in Low-Earth Orbit

    SciTech Connect (OSTI)

    Dwyer, Morgan Maeve

    2014-09-01

    This report summarizes the results of doctoral research that explored the cost impact of acquiring complex government systems jointly. The report begins by reviewing recent evidence that suggests that joint programs experience greater cost growth than non-joint programs. It continues by proposing an alternative approach for studying cost growth on government acquisition programs and demonstrates the utility of this approach by applying it to study the cost of jointness on three past programs that developed environmental monitoring systems for low-Earth orbit. Ultimately, the report concludes that joint programs' costs grow when the collaborating government agencies take action to retain or regain their autonomy. The report provides detailed qualitative and quantitative data in support of this conclusion and generalizes its findings to other joint programs that were not explicitly studied here. Finally, it concludes by presenting a quantitative model that assesses the cost impacts of jointness and by demonstrating how government agencies can more effectively architect joint programs in the future.

  10. 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.

  11. 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.

  12. 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.

  13. Water resources development in Santa Clara Valley, California: insights into the human-hydrologic relationship

    SciTech Connect (OSTI)

    Reynolds, Jesse L.; Narasimhan, T.N.

    2000-06-01

    Groundwater irrigation is critical to food production and, in turn, to humankind's relationship with its environment. The development of groundwater in Santa Clara Valley, California during the early twentieth century is instructive because (1) responses to unsustainable resource use were largely successful; (2) the proposals for the physical management of the water, although not entirely novel, incorporated new approaches which reveal an evolving relationship between humans and the hydrologic cycle; and (3) the valley serves as a natural laboratory where natural (groundwater basin, surface watershed) and human (county, water district) boundaries generally coincide. Here, I investigate how water resources development and management in Santa Clara Valley was influenced by, and reflective of, a broad understanding of water as a natural resource, including scientific and technological innovations, new management approaches, and changing perceptions of the hydrologic cycle. Market demands and technological advances engendered reliance on groundwater. This, coupled with a series of dry years and laissez faire government policies, led to overdraft. Faith in centralized management and objective engineering offered a solution to concerns over resource depletion, and a group dominated by orchardists soon organized, fought for a water conservation district, and funded an investigation to halt the decline of well levels. Engineer Fred Tibbetts authored an elaborate water salvage and recharge plan that optimized the local water resources by integrating multiple components of the hydrologic cycle. Informed by government investigations, groundwater development in Southern California, and local water law cases, it recognized the limited surface storage possibilities, the spatial and temporal variability, the relatively closed local hydrology, the interconnection of surface and subsurface waters, and the value of the groundwater basin for its storage, transportation, and treatment abilities. The proposal was typically described as complementing an already generous nature, not simply subduing it. Its implementation was limited by political tensions, and fifteen years later, a scaled-down version was constructed. Well levels recovered, but within a decade were declining due to increasing withdrawals. I assert that the approach in Santa Clara Valley was a forerunner to more recent innovations in natural resource management in California and beyond.

  14. Insights into the respiratory tract microbiota of patients with cystic fibrosis during early Pseudomonas aeruginosa colonization

    DOE PAGES-Beta [OSTI]

    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

  15. Insight into organic reactions from the direct random phase approximation and its corrections

    SciTech Connect (OSTI)

    Ruzsinszky, Adrienn; Zhang, Igor Ying; Scheffler, Matthias

    2015-10-14

    The performance of the random phase approximation (RPA) and beyond-RPA approximations for the treatment of electron correlation is benchmarked on three different molecular test sets. The test sets are chosen to represent three typical sources of error which can contribute to the failure of most density functional approximations in chemical reactions. The first test set (atomization and n-homodesmotic reactions) offers a gradually increasing balance of error from the chemical environment. The second test set (Diels-Alder reaction cycloaddition = DARC) reflects more the effect of weak dispersion interactions in chemical reactions. Finally, the third test set (self-interaction error 11 = SIE11) represents reactions which are exposed to noticeable self-interaction errors. This work seeks to answer whether any one of the many-body approximations considered here successfully addresses all these challenges.

  16. New insights into water bonding during early tricalcium silicate hydration with quasielastic neutron scattering

    SciTech Connect (OSTI)

    Gutberlet, T.; Hilbig, H.; Beddoe, R.E.; Lohstroh, W.

    2013-09-15

    New information on the water bonding during the first 36 h of hydration of tricalcium silicate was obtained using the high neutron flux at the sample position of the time-of-flight spectrometer (TOFTOF), FRM II in Garching, Germany, together with {sup 29}Si NMR and X-ray diffraction measurements. A rapid increase in the amount of constrained water was observed at the beginning of the induction period. This is attributed to the formation of an early C-S-H with a large specific surface area (around 800 m{sup 2}/g). During subsequent hydration, the amount of constrained water, as given by the total surface area of the hydration products, is controlled by (a) the formation of new metastable early C-S-H which increases total surface area and (b) polymerisation processes which reduce total surface area. The relative contribution of these processes varies during hydration.

  17. SOLAR CYCLE PROPAGATION, MEMORY, AND PREDICTION: INSIGHTS FROM A CENTURY OF MAGNETIC PROXIES

    SciTech Connect (OSTI)

    Munoz-Jaramillo, Andres; DeLuca, Edward E.; Dasi-Espuig, Maria; Balmaceda, Laura A. E-mail: edeluca@cfa.harvard.edu E-mail: lbalmaceda@icate-conicet.gob.ar

    2013-04-20

    The solar cycle and its associated magnetic activity are the main drivers behind changes in the interplanetary environment and Earth's upper atmosphere (commonly referred to as space weather). These changes have a direct impact on the lifetime of space-based assets and can create hazards to astronauts in space. In recent years there has been an effort to develop accurate solar cycle predictions (with aims at predicting the long-term evolution of space weather), leading to nearly a hundred widely spread predictions for the amplitude of solar cycle 24. A major contributor to the disagreement is the lack of direct long-term databases covering different components of the solar magnetic field (toroidal versus poloidal). Here, we use sunspot area and polar faculae measurements spanning a full century (as our toroidal and poloidal field proxies) to study solar cycle propagation, memory, and prediction. Our results substantiate predictions based on the polar magnetic fields, whereas we find sunspot area to be uncorrelated with cycle amplitude unless multiplied by area-weighted average tilt. This suggests that the joint assimilation of tilt and sunspot area is a better choice (with aims to cycle prediction) than sunspot area alone, and adds to the evidence in favor of active region emergence and decay as the main mechanism of poloidal field generation (i.e., the Babcock-Leighton mechanism). Finally, by looking at the correlation between our poloidal and toroidal proxies across multiple cycles, we find solar cycle memory to be limited to only one cycle.

  18. 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.

  19. 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 325°C), 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.

  20. Producing glucose 6-phosphate from cellulosic biomass: Structural insights into levoglucosan bioconversion

    DOE PAGES-Beta [OSTI]

    Bacik, John -Paul; Klesmith, Justin R.; Whitehead, Timothy A.; Jarboe, Laura R.; Unkefer, Clifford J.; Mark, Brian L.; Michalczyk, Ryszard

    2015-09-09

    The most abundant carbohydrate product of cellulosic biomass pyrolysis is the anhydrosugar levoglucosan (1,6-anhydro-β-d-glucopyranose), which can be converted to glucose 6-phosphate by levoglucosan kinase (LGK). In addition to the canonical kinase phosphotransfer reaction, the conversion requires cleavage of the 1,6-anhydro ring to allow ATP-dependent phosphorylation of the sugar O6 atom. Using x-ray crystallography, we show that LGK binds two magnesium ions in the active site that are additionally coordinated with the nucleotide and water molecules to result in ideal octahedral coordination. To further verify the metal binding sites, we co-crystallized LGK in the presence of manganese instead of magnesium andmore » solved the structure de novo using the anomalous signal from four manganese atoms in the dimeric structure. The first metal is required for catalysis, whereas our work suggests that the second is either required or significantly promotes the catalytic rate. Although the enzyme binds its sugar substrate in a similar orientation to the structurally related 1,6-anhydro-N-acetylmuramic acid kinase (AnmK), it forms markedly fewer bonding interactions with the substrate. In this orientation, the sugar is in an optimal position to couple phosphorylation with ring cleavage. We also observed a second alternate binding orientation for levoglucosan, and in these structures, ADP was found to bind with lower affinity. These combined observations provide an explanation for the high Km of LGK for levoglucosan. Furthermore, greater knowledge of the factors that contribute to the catalytic efficiency of LGK can be used to improve applications of this enzyme for levoglucosan-derived biofuel production.« less

  1. Producing glucose 6-phosphate from cellulosic biomass: Structural insights into levoglucosan bioconversion

    SciTech Connect (OSTI)

    Bacik, John -Paul; Klesmith, Justin R.; Whitehead, Timothy A.; Jarboe, Laura R.; Unkefer, Clifford J.; Mark, Brian L.; Michalczyk, Ryszard

    2015-09-09

    The most abundant carbohydrate product of cellulosic biomass pyrolysis is the anhydrosugar levoglucosan (1,6-anhydro-β-d-glucopyranose), which can be converted to glucose 6-phosphate by levoglucosan kinase (LGK). In addition to the canonical kinase phosphotransfer reaction, the conversion requires cleavage of the 1,6-anhydro ring to allow ATP-dependent phosphorylation of the sugar O6 atom. Using x-ray crystallography, we show that LGK binds two magnesium ions in the active site that are additionally coordinated with the nucleotide and water molecules to result in ideal octahedral coordination. To further verify the metal binding sites, we co-crystallized LGK in the presence of manganese instead of magnesium and solved the structure de novo using the anomalous signal from four manganese atoms in the dimeric structure. The first metal is required for catalysis, whereas our work suggests that the second is either required or significantly promotes the catalytic rate. Although the enzyme binds its sugar substrate in a similar orientation to the structurally related 1,6-anhydro-N-acetylmuramic acid kinase (AnmK), it forms markedly fewer bonding interactions with the substrate. In this orientation, the sugar is in an optimal position to couple phosphorylation with ring cleavage. We also observed a second alternate binding orientation for levoglucosan, and in these structures, ADP was found to bind with lower affinity. These combined observations provide an explanation for the high Km of LGK for levoglucosan. Furthermore, greater knowledge of the factors that contribute to the catalytic efficiency of LGK can be used to improve applications of this enzyme for levoglucosan-derived biofuel production.

  2. Nanoscale Silicon as a Catalyst for Graphene Growth: Mechanistic Insight from in Situ Raman Spectroscopy

    DOE PAGES-Beta [OSTI]

    Share, Keith; Carter, Rachel E.; Nikolaev, Pavel; Hooper, Daylong; Oakes, Landon; Cohn, Adam P.; Rao, Rahul; Puretzky, Alexander A.; Geohegan, David B.; Maruyama, Benji; et al

    2016-06-08

    Nanoscale carbons are typically synthesized by thermal decomposition of a hydrocarbon at the surface of a metal catalyst. Whereas the use of silicon as an alternative to metal catalysts could unlock new techniques to seamlessly couple carbon nanostructures and semiconductor materials, stable carbide formation renders bulk silicon incapable of the precipitation and growth of graphitic structures. In this article, we provide evidence supported by comprehensive in situ Raman experiments that indicates nanoscale grains of silicon in porous silicon (PSi) scaffolds act as catalysts for hydrocarbon decomposition and growth of few-layered graphene at temperatures as low as 700 K. Self-limiting growthmore » kinetics of graphene with activation energies measured between 0.32–0.37 eV elucidates the formation of highly reactive surface-bound Si radicals that aid in the decomposition of hydrocarbons. Nucleation and growth of graphitic layers on PSi exhibits striking similarity to catalytic growth on nickel surfaces, involving temperature dependent surface and subsurface diffusion of carbon. Lastly, this work elucidates how the nanoscale properties of silicon can be exploited to yield catalytic properties distinguished from bulk silicon, opening an important avenue to engineer catalytic interfaces combining the two most technologically important materials for modern applications—silicon and nanoscale carbons.« less

  3. Insights from the WGRISK workshop on the PSA of advanced and new reactors

    SciTech Connect (OSTI)

    Georgescu, G.; Ahn, K. I.; Amri, A.

    2012-07-01

    Probabilistic Safety Assessment /Probabilistic Risk Assessment for new and advanced reactors is recognized as an essential complement of the deterministic approaches to achieve improved safety and performances of new nuclear power plants, comparing to the operating plants. However, the development of PSA to these reactors is encountered to concurrent challenges, mainly due to the limited available design information, as well as due to potentially new initiating events, accident sequences and phenomena. The use of PSA in the decision making process is also challenging since the resulting PSA may not sufficiently reflect the future as-built, as-operated plant information. In order to address these aspects, the OECD/NEA/WGRISK initiated two coordinated tasks on 'PSA for Advanced Reactors' and 'PSA in the frame of Design and Commissioning of New NPPs'. In this context, a joint workshop was organized by OECD, during which related subjects were presented and discussed, including PSA for generation IV reactors, PSA for evolutionary reactors, PSA for small modular reactors, severe accidents and Level 2 PSA, Level 3 PSA and consequences analysis, digital I and C modeling, passive systems reliability, safety-security interface, as well as the results of the surveys performed in the frame of theses WGRISK tasks. (authors)

  4. 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...

  5. §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.

  6. 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.

  7. 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.

  8. 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.

  9. A Korarchael Genome Reveals Insights into the Evolution of the Archaea

    SciTech Connect (OSTI)

    Lapidus, Alla; Elkins, James G.; Podar, Mircea; Graham, David E.; Makarova, Kira S.; Wolf, Yuri; Randau, Lennart; Hedlund, Brian P.; Brochier-Armanet, Celine; Kunin, Victor; Anderson, Iain; Lapidus, Alla; Goltsman, Eugene; Barry, Kerrie; Koonin, Eugene V.; Hugenholtz, Phil; Kyrpides, Nikos; Wanner, Gerhard; Richardson, Paul; Keller, Martin; Stetter, Karl O.

    2008-01-07

    The candidate division Korarchaeota comprises a group of uncultivated microorganisms that, by their small subunit rRNA phylogeny, may have diverged early from the major archaeal phyla Crenarchaeota and Euryarchaeota. Here, we report the initial characterization of a member of the Korarchaeota with the proposed name, ?Candidatus Korarchaeum cryptofilum,? which exhibits an ultrathin filamentous morphology. To investigate possible ancestral relationships between deep-branching Korarchaeota and other phyla, we used whole-genome shotgun sequencing to construct a complete composite korarchaeal genome from enriched cells. The genome was assembled into a single contig 1.59 Mb in length with a G + C content of 49percent. Of the 1,617 predicted protein-coding genes, 1,382 (85percent) could be assigned to a revised set of archaeal Clusters of Orthologous Groups (COGs). The predicted gene functions suggest that the organism relies on a simple mode of peptide fermentation for carbon and energy and lacks the ability to synthesize de novo purines, CoA, and several other cofactors. Phylogenetic analyses based on conserved single genes and concatenated protein sequences positioned the korarchaeote as a deep archaeal lineage with an apparent affinity to the Crenarchaeota. However, the predicted gene content revealed that several conserved cellular systems, such as cell division, DNA replication, and tRNA maturation, resemble the counterparts in the Euryarchaeota. In light of the known composition of archaeal genomes, the Korarchaeota might have retained a set of cellular features that represents the ancestral archaeal form.

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

    SciTech Connect (OSTI)

    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 one 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.

  11. Insights for aging management of light water reactor components: Metal containments. Volume 5

    SciTech Connect (OSTI)

    Shah, V.N.; Sinha, U.P.; Smith, S.K.

    1994-03-01

    This report evaluates the available technical information and field experience related to management of aging damage to light water reactor metal containments. A generic aging management approach is suggested for the effective and comprehensive aging management of metal containments to ensure their safe operation. The major concern is corrosion of the embedded portion of the containment vessel and detection of this damage. The electromagnetic acoustic transducer and half-cell potential measurement are potential techniques to detect corrosion damage in the embedded portion of the containment vessel. Other corrosion-related concerns include inspection of corrosion damage on the inaccessible side of BWR Mark I and Mark II containment vessels and corrosion of the BWR Mark I torus and emergency core cooling system piping that penetrates the torus, and transgranular stress corrosion cracking of the penetration bellows. Fatigue-related concerns include reduction in the fatigue life (a) of a vessel caused by roughness of the corroded vessel surface and (b) of bellows because of any physical damage. Maintenance of surface coatings and sealant at the metal-concrete interface is the best protection against corrosion of the vessel.

  12. 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.

  13. Silicate species of water glass and insights for alkali-activated green cement

    SciTech Connect (OSTI)

    Jansson, Helén; Bernin, Diana; Ramser, Kerstin

    2015-06-15

    Despite that sodium silicate solutions of high pH are commonly used in industrial applications, most investigations are focused on low to medium values of pH. Therefore we have investigated such solutions in a broad modulus range and up to high pH values (∼14) by use of infrared (IR) spectroscopy and silicon nuclear magnetic resonance ({sup 29}Si-NMR). The results show that the modulus dependent pH value leads to more or less charged species, which affects the configurations of the silicate units. This in turn, influences the alkali-activation process of low CO{sub 2} footprint cements, i.e. materials based on industrial waste or by-products.

  14. Voices of Experience: Insights on Smart Grid Customer Engagement (July 2013)

    Office of Energy Efficiency and Renewable Energy (EERE)

    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...

  15. Insights on proximity effect and multiphoton induced luminescence from gold nanospheres in far field optical microscopy

    SciTech Connect (OSTI)

    Borglin, Johan; Guldbrand, Stina; Evenbratt, Hanne; Kirejev, Vladimir; Ericson, Marica B.; Grönbeck, Henrik

    2015-12-07

    Gold nanoparticles can be visualized in far-field multiphoton laser-scanning microscopy (MPM) based on the phenomena of multiphoton induced luminescence (MIL). This is of interest for biomedical applications, e.g., for cancer diagnostics, as MPM allows for working in the near-infrared (NIR) optical window of tissue. It is well known that the aggregation of particles causes a redshift of the plasmon resonance, but its implications for MIL applying far-field MPM should be further exploited. Here, we explore MIL from 10 nm gold nanospheres that are chemically deposited on glass substrates in controlled coverage gradients using MPM operating in NIR range. The substrates enable studies of MIL as a function of inter-particle distance and clustering. It was shown that MIL was only detected from areas on the substrates where the particle spacing was less than one particle diameter, or where the particles have aggregated. The results are interpreted in the context that the underlying physical phenomenon of MIL is a sequential two-photon absorption process, where the first event is driven by the plasmon resonance. It is evident that gold nanospheres in this size range have to be closely spaced or clustered to exhibit detectable MIL using far-field MPM operating in the NIR region.

  16. 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.

  17. 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.

  18. 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.

  19. EM Gains Insight from Germany on Salt-Based Repositories | Department...

    Energy.gov (indexed) [DOE]

    Participants in the workshops in Germany toured Asse II, one of Germanys two ... Participants in the workshops in Germany toured Asse II, one of Germany's two salt-based ...

  20. Analysis Insights: Energy Storage - Possibilities for Expanding Electric Grid Flexibility (Brochure), NREL (National Renewable Energy Laboratory)

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    764 F E B R U A R Y 2 0 1 6 A N A LY S I S I N S I G H T S ENERGY STORAGE Possibilities for Expanding Electric Grid Flexibility POTENTIAL GRID APPLICATIONS STORAGE TECHNOLOGY CHARACTERISTICS 0.1 1 10 100 1000 Seconds Minutes Hours Days Generation Transmission & Distribution End Use E ciency 85-100% 70-85% 45-70% 30-45% Energy Management Operating & Ramping Reserves Frequency Response & Regulation Provide uninterruptable power supply-provide back-up power Optimize time of use retail

  1. Neutron activation analysis of modern pottery: Insights for archaeological provenance research

    SciTech Connect (OSTI)

    Neff, H.; Arnold, D.E.; Benco, N.L.; Thieme, M.S.

    1996-12-31

    Neutron activation analysis has been employed to characterize ceramics and raw material samples from modern pottery-making communities. The original study focused on several villages in the central highlands of Guatemala. More recently, NAA data have been collected from communities in the Valley of Oaxaca, Mexico, the northern Yucatan Peninsula, and northern Morocco. The results from all four studies can now be combined to yield a comparative perspective on paste preparation effects in archaeological provenance research.

  2. 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.

  3. 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.

  4. 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...

  5. 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)

  6. 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.

  7. 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.

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

    DOE PAGES-Beta [OSTI]

    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

  9. 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.; 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.

  10. New Insight on a Familiar Glow | U.S. DOE Office of Science ...

    Office of Science (SC) [DOE]

    The Science Invaluable as markers for monitoring photosynthesis and other energy-related processes in living cells, green fluorescent proteins (GFPs), discovered in a species of ...

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

    Office of Scientific and Technical Information (OSTI)

    ... Authors: Todd, Annika ; Perry, Michael ; Smith, Brian ; Sullivan, Michael ; Cappers, Peter ; Goldman, Charles Publication Date: 2014-03-25 OSTI Identifier: 1129523 Report ...

  12. Carbon cycling in western equatorial atlantic sediments: Insights from carbon isotopes

    SciTech Connect (OSTI)

    McNichol, A.P.; McCorkle, D.C.; Martin, W.R.; Berry, J.N.

    1995-12-01

    Sediments from a site on the Ceara Rise in the western equatorial Atlantic Ocean (5{degrees} 17N, 44{degrees}8W) were collected in March 1994 to study the carbon cycle of ocean sediments. Sediments were collected in 3270 m of water, above the calcite saturation horizon ({triangle}CO{sub 3}{sup 2} {approx} 20). Relatively large volumes (20-30 ml) of pore water were extracted from 1-2 cm interval sections of the surface 10 cm of the sediments using both whole core squeezing and centrifugation techniques. The whole core squeezer permits the in-situ or shipboard extraction of large volumes of pore water without sectioning sediment cores. We analyzed the pore water dissolved inorganic carbon ({Sigma}CO{sub 2}) to yield high resolution profiles of concentration, {gamma}{sup 13}C, and {triangle}{sup 14}C at this site. The bottom water values we measured are about 10 {per_thousand} lower than that measured at a nearby site during the GEOSECS Program in 1974. Pore water {gamma}{sup 13}C decreases regularly from a value of 0.75 {per_thousand} in the bottom water to -0.8 {per_thousand} at 11 cm and {triangle}{sup 14}C decreases regularly from -109 {per_thousand} in the bottom water to -180 at 10 cm. The stable isotope results indicate the addition of carbon to the pore water from both the dissolution of CaCO{sub 3} and the oxidation of organic matter. Pore water radiocarbon results indicate that at least one of these carbon sources is quite old. We will use results from isotopic analyses of the sediment organic matter and CaCO{sub 3} to constrain the sediment carbon budget and discuss the implications for oceanic carbon modelling,

  13. XPD Helicase Structures and Activities: Insights into the Cancer and Aging Phenotypes from XPD Mutations

    SciTech Connect (OSTI)

    Tainer, John; Fan, Li; Fuss, Jill O.; Cheng, Quen J.; Arvai, Andrew S.; Hammel, Michal; Roberts, Victoria A.; Cooper, Priscilla K.; Tainer, John A.

    2008-06-02

    Mutations in XPD helicase, required for nucleotide excision repair (NER) as part of the transcription/repair complex TFIIH, cause three distinct phenotypes: cancer-prone xeroderma pigmentosum (XP), or aging disorders Cockayne syndrome (CS), and trichothiodystrophy (TTD). To clarify molecular differences underlying these diseases, we determined crystal structures of the XPD catalytic core from Sulfolobus acidocaldarius and measured mutant enzyme activities. Substrate-binding grooves separate adjacent Rad51/RecA-like helicase domains (HD1, HD2) and an arch formed by 4FeS and Arch domains. XP mutations map along the HD1 ATP-binding edge and HD2 DNA-binding channel and impair helicase activity essential for NER. XP/CS mutations both impair helicase activity and likely affect HD2 functional movement. TTD mutants lose or retain helicase activity but map to sites in all four domains expected to cause framework defects impacting TFIIH integrity. These results provide a foundation for understanding disease consequences of mutations in XPD and related 4Fe-4S helicases including FancJ.

  14. 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.

  15. Predictions of the equation of state of cerium yield interesting insights into experimental results

    SciTech Connect (OSTI)

    Cherne, Frank J; Jensen, Brian J; Rigg, Paulo A; Elkin, Vyacheslav M

    2009-01-01

    There has been much interest in the past in understanding the dynamic properties of phase changing materials. In this paper we begin to explore the dynamic properties of the complex material of cerium. Cerium metal is a good candidate material to explore capabilities in determining a dynamic phase diagram on account of its low dynamic phase boundaries, namely, the {gamma}-{alpha}, and {alpha}-liquid phase boundaries. Here we present a combination of experimental results with calculated results to try to understand the dynamic behavior of the material. Using the front surface impact technique, we performed a series of experiments which displayed a rarefaction shock upon release. These experiments show that the reversion shock stresses occur at different magnitudes, allowing us to plot out the {gamma}-{alpha} phase boundary. Applying a multiphase equation of state a broader understanding of the experimental results will be discussed.

  16. 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

  17. CBP for Field Workers – Results and Insights from Three Usability and Interface Design Evaluations

    SciTech Connect (OSTI)

    Oxstrand, Johanna Helene; Le Blanc, Katya Lee; Bly, Aaron Douglas; Medema, Heather Dawne; Hill, Wyatt Orcutt

    2015-09-01

    Nearly all activities that involve human interaction with the systems in a nuclear power plant are guided by procedures. Even though the paper-based procedures (PBPs) currently used by industry have a demonstrated history of ensuring safety, improving procedure use could yield significant savings in increased efficiency as well as improved nuclear safety through human performance gains. The nuclear industry is constantly trying to find ways to decrease the human error rate, especially the human errors associated with procedure use. As a step toward the goal of improving procedure use and adherence, researchers in the Light-Water Reactor Sustainability (LWRS) Program, together with the nuclear industry, have been investigating the possibility and feasibility of replacing the current paper-based procedure process with a computer-based procedure (CBP) system. This report describes a field evaluation of new design concepts of a prototype computer-based procedure system.

  18. Comparative genomic analysis of nine Sphingobium strains: Insights into their evolution and hexachlorocyclohexane (HCH) degradation pathways

    DOE PAGES-Beta [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 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

  19. Insights from the operation of Solar One and their implications for future central receiver plants

    SciTech Connect (OSTI)

    Kolb, G.J.; Alpert, D.J. ); Lopez, C.W. )

    1991-01-01

    The Solar One Pilot Plant successfully demonstrated the feasibility of generating electricity with a solar central receiver power plant. During the six years the plant was operated, a great deal of data was collected relating to the efficiency and availability of the plant's various systems. This paper summarizes these statistics and compares them to goals developed by the Department of Energy. Based on this comparison, and recent research, the authors identify key improvements in the design and operation for future central receiver power plants. These improvements are expected to solve many of the performance problems encountered at Solar One. Projections of the cost of energy for these future plants are also presented.

  20. Phosphoryl transfer reaction snapshots in crystals: Insights into the mechanism of protein kinase a catalytic subunit

    DOE PAGES-Beta [OSTI]

    Das, Amit; Gerlits, Oksana O.; Heller, William T.; Kovalevskyi, Andrii Y.; Langan, Paul; Tian, Jianhui

    2015-06-19

    To study the catalytic mechanism of phosphorylation catalyzed by cAMP-dependent protein kinase (PKA) a structure of the enzyme-substrate complex representing the Michaelis complex is of specific interest as it can shed light on the structure of the transition state. However, all previous crystal structures of the Michaelis complex mimics of the PKA catalytic subunit (PKAc) were obtained with either peptide inhibitors or ATP analogs. Here we utilized Ca2+ ions and sulfur in place of the nucleophilic oxygen in a 20-residue pseudo-substrate peptide (CP20) and ATP to produce a close mimic of the Michaelis complex. In the ternary reactant complex, themore » thiol group of Cys-21 of the peptide is facing Asp-166 and the sulfur atom is positioned for an in-line phosphoryl transfer. Replacement of Ca2+ cations with Mg2+ ions resulted in a complex with trapped products of ATP hydrolysis: phosphate ion and ADP. As a result, the present structural results in combination with the previously reported structures of the transition state mimic and phosphorylated product complexes complete the snapshots of the phosphoryl transfer reaction by PKAc, providing us with the most thorough picture of the catalytic mechanism to date.« less

  1. 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.

  2. Structural insights into the metabolism of 2-chlorodibenzofuran by an evolved biphenyl dioxygenase

    SciTech Connect (OSTI)

    Kumar, Pravindra; Mohammadi, Mahmood; Dhindwal, Sonali; Pham, Thi Thanh My; Bolin, Jeffrey T.; Sylvestre, Michel

    2012-06-28

    The biphenyl dioxygenase of Burkholderia xenovorans LB400 (BphAE{sub LB400}) is a Rieske-type oxygenase that catalyzes the stereospecific oxygenation of many heterocyclic aromatics including dibenzofuran. In a previous work, we evolved BphAE{sub LB400} and obtained BphAE{sub RR41}. This variant metabolizes dibenzofuran and 2-chlorodibenzofuran more efficiently than BphAE{sub LB400}. However, the regiospecificity of BphAE{sub RR41} toward these substrates differs. Dibenzofuran is metabolized principally through a lateral dioxygenation whereas 2-chlorodibenzofuran is metabolized principally through an angular dioxygenation. In order to explain this difference, we examined the crystal structures of both substrate-bound forms of BphAE{sub RR41} obtained under anaerobic conditions. This structure analysis, in combination with biochemical data for a Ser283Gly mutant provided evidences that the substrate is compelled to move after oxygen-binding in BphAE{sub RR41}:dibenzofuran. In BphAE{sub RR41}:2-chlorodibenzofuran, the chlorine atom is close to the side chain of Ser283. This contact is missing in the BphAE{sub RR41}:dibenzofuran, and strong enough in the BphAE{sub RR41}:2-chlorodibenzofuran to help prevent substrate movement during the catalytic reaction.

  3. Structural insights into the metabolism of 2-chlorodibenzofuran by an evolved biphenyl dioxygenase

    SciTech Connect (OSTI)

    Kumar, Pravindra; Mohammadi, Mahmood; Dhindwal, Sonali; Pham, Thi Thanh My; Bolin, Jeffrey T.; Sylvestre, Michel

    2012-05-18

    Highlights: Black-Right-Pointing-Pointer Regiospecificity of BphAE{sub RR41} toward dibenzofuran and 2-chlorodibenzofuran differs. Black-Right-Pointing-Pointer We compared the structures of the substrate-bound forms of the enzyme with both substrates. Black-Right-Pointing-Pointer Dibenzofuran is compelled to move during the catalytic reaction. Black-Right-Pointing-Pointer Ser283 contact with 2-chlorodibenzofuran helps prevent substrate movement during the reaction. -- Abstract: The biphenyl dioxygenase of Burkholderia xenovorans LB400 (BphAE{sub LB400}) is a Rieske-type oxygenase that catalyzes the stereospecific oxygenation of many heterocyclic aromatics including dibenzofuran. In a previous work, we evolved BphAE{sub LB400} and obtained BphAE{sub RR41}. This variant metabolizes dibenzofuran and 2-chlorodibenzofuran more efficiently than BphAE{sub LB400}. However, the regiospecificity of BphAE{sub RR41} toward these substrates differs. Dibenzofuran is metabolized principally through a lateral dioxygenation whereas 2-chlorodibenzofuran is metabolized principally through an angular dioxygenation. In order to explain this difference, we examined the crystal structures of both substrate-bound forms of BphAE{sub RR41} obtained under anaerobic conditions. This structure analysis, in combination with biochemical data for a Ser283Gly mutant provided evidences that the substrate is compelled to move after oxygen-binding in BphAE{sub RR41}:dibenzofuran. In BphAE{sub RR41}:2-chlorodibenzofuran, the chlorine atom is close to the side chain of Ser283. This contact is missing in the BphAE{sub RR41}:dibenzofuran, and strong enough in the BphAE{sub RR41}:2-chlorodibenzofuran to help prevent substrate movement during the catalytic reaction.

  4. 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.

  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. New insight into UO2F2 particulate structure by micro-Raman spectroscopy

    DOE PAGES-Beta [OSTI]

    Stefaniak, Elzbieta A.; Darchuk, Larysa; Sapundjiev, Danislav; Kips, Ruth E.; Aregbe, Yetunde; Grieken, Rene Van

    2013-02-19

    Uranyl fluoride particles produced via hydrolysis of uranium hexafluoride have been deposited on different substrates: polished graphite disks, silver foil, stainless steel and gold-coated silicon wafer, and measured with micro-Raman spectroscopy (MRS). All three metallic substrates enhanced the Raman signal delivered by UO2F2 in comparison to graphite. The fundamental stretching of the U–O band appeared at 867 cm–1 in case of the graphite substrate, while in case of the others it was shifted to lower frequencies (down to 839 cm–1). All applied metallic substrates showed the expected effect of Raman signal enhancement; however the gold layer appeared to be mostmore » effective. Lastly, application of new substrates provides more information on the molecular structure of uranyl fluoride precipitation, which is interesting for nuclear safeguards and nuclear environmental analysis.« less

  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. 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.

  9. 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.

  10. 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.

  11. Comparative genomic insights into ecophysiology of neutrophilic, microaerophilic iron oxidizing bacteria

    DOE PAGES-Beta [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 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

  12. Promising Fuel Cycle Options for R&D - Results, Insights, and...

    Office of Scientific and Technical Information (OSTI)

    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. ...

  13. 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 ϕ{sub 1} for ZT{sub e}/T{sub i}≲20, beyond which the instability is shown to scale with a higher power of ϕ{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.

  14. Detecting drug-induced prolongation of the QRS complex: New insights for cardiac safety assessment

    SciTech Connect (OSTI)

    Cros, C.; Skinner, M.; Moors, J.; Lainee, P.; Valentin, J.P.

    2012-12-01

    Background: Drugs slowing the conduction of the cardiac action potential and prolonging QRS complex duration by blocking the sodium current (I{sub Na}) may carry pro-arrhythmic risks. Due to the frequency-dependent block of I{sub Na}, this study assesses whether activity-related spontaneous increases in heart rate (HR) occurring during standard dog telemetry studies can be used to optimise the detection of class I antiarrhythmic-induced QRS prolongation. Methods: Telemetered dogs were orally dosed with quinidine (class Ia), mexiletine (class Ib) or flecainide (class Ic). QRS duration was determined standardly (5 beats averaged at rest) but also prior to and at the plateau of each acute increase in HR (3 beats averaged at steady state), and averaged over 1 h period from 1 h pre-dose to 5 h post-dose. Results: Compared to time-matched vehicle, at rest, only quinidine and flecainide induced increases in QRS duration (E{sub max} 13% and 20% respectively, P < 0.01–0.001) whereas mexiletine had no effect. Importantly, the increase in QRS duration was enhanced at peak HR with an additional effect of + 0.7 ± 0.5 ms (quinidine, NS), + 1.8 ± 0.8 ms (mexiletine, P < 0.05) and + 2.8 ± 0.8 ms (flecainide, P < 0.01) (calculated as QRS at basal HR-QRS at high HR). Conclusion: Electrocardiogram recordings during elevated HR, not considered during routine analysis optimised for detecting QT prolongation, can be used to sensitise the detection of QRS prolongation. This could prove useful when borderline QRS effects are detected. Analysing during acute increases in HR could also be useful for detecting drug-induced effects on other aspects of cardiac function. -- Highlights: ► We aimed to improve detection of drug-induced QRS prolongation in safety screening. ► We used telemetered dogs to test class I antiarrhythmics at low and high heart rate. ► At low heart rate only quinidine and flecainide induced an increase in QRS duration. ► At high heart rate the effects of two out of three antiarrhythmics were enhanced. ► Detection of a drug-induced prolongation of QRS was improved at high heart rate.

  15. The Tail Wagging the Dog: Insights into Catalysis in R67 Dihydrofolate Reductase

    SciTech Connect (OSTI)

    Kamath, Ganesh K; Agarwal, Pratul K

    2010-01-01

    Plasmid-encoded R67 dihydrofolate reductase (DHFR) catalyzes a hydride transfer reaction between substrate dihydrofolate (DHF) and its cofactor, nicotinamide adenine dinucleotide phosphate (NADPH). R67 DHFR is a homotetramer that exhibits numerous characteristics of a primitive enzyme, including promiscuity in binding of substrate and cofactor, formation of nonproductive complexes, and the absence of a conserved acid in its active site. Furthermore, R67's active site is a pore, which is mostly accessible by bulk solvent. This study uses a computational approach to characterize the mechanism of hydride transfer. Not surprisingly, NADPH remains fixed in one-half of the active site pore using numerous interactions with R67. Also, stacking between the nicotinamide ring of the cofactor and the pteridine ring of the substrate, DHF, at the hourglass center of the pore, holds the reactants in place. However, large movements of the p-aminobenzoylglutamate tail of DHF occur in the other half of the pore because of ion pair switching between symmetry-related K32 residues from two subunits. This computational result is supported by experimental results that the loss of these ion pair interactions (located >13 {angstrom} from the center of the pore) by addition of salt or in asymmetric K32M mutants leads to altered enzyme kinetics [Hicks, S. N., et al. (2003) Biochemistry 42, 10569-10578; Hicks, S. N., et al. (2004) J. Biol. Chem. 279, 46995?47002]. The tail movement at the edge of the active site, coupled with the fixed position of the pteridine ring in the center of the pore, leads to puckering of the pteridine ring and promotes formation of the transition state. Flexibility coupled to R67 function is unusual as it contrasts with the paradigm that enzymes use increased rigidity to facilitate attainment of their transition states. A comparison with chromosomal DHFR indicates a number of similarities, including puckering of the nicotinamide ring and changes in the DHF tail angle, accomplished by different elements of the dissimilar protein folds.

  16. Insights into the single cell draft genome of “Candidatus Achromatium palustre”

    DOE PAGES-Beta [OSTI]

    Salman, Verena; Berben, Tom; Bowers, Robert M.; Woyke, Tanja; Teske, Andreas; Angert, Esther R.

    2016-03-23

    "Candidatus Achromatium palustre" was recently described as the first marine representative of the Achromatium spp. in the Thiotrichaceae - a sister lineage to the Chromatiaceae in the Gammaproteobacteria. Achromatium spp. belong to the group of large sulfur bacteria as they can grow to nearly 100 mu m in size and store elemental sulfur (S-0) intracellularly. As a unique feature, Achromatium spp. can accumulate colloidal calcite (CaCO3) inclusions in great amounts. Currently, both process and function of calcite accumulation in bacteria is unknown, and all Achromatium spp. are uncultured. Recently, three single-cell draft genomes of Achromatium spp. from a brackish mineralmore » spring were published, and here we present the first draft genome of a single "Candidatus Achromatium palustre" cell collected in the sediments of the Sippewissett Salt Marsh, Cape Cod, MA. Our draft dataset consists of 3.6 Mbp, has a G + C content of 38.1 % and is nearly complete (83 %). In conclusion, the next closest relative to the Achromatium spp. genomes is Thiorhodovibrio sp. 907 of the family Chromatiaceae, containing phototrophic sulfide-oxidizing bacteria.« less

  17. Structural Insight into the Dioxygenation of Nitroarene Compounds: the Crystal Structure of Nitrobenzene Dioxygenase

    SciTech Connect (OSTI)

    Friemann, Rosmarie; Ivkovic-Jensen, Maja M.; Lessner, Daniel J.; Yu, Chi-Li; Gibson, David T.; Parales, Rebecca E.; Eklund, Hans; Ramaswamy, S.

    2010-07-19

    Nitroaromatic compounds are used extensively in many industrial processes and have been released into the environment where they are considered environmental pollutants. Nitroaromatic compounds, in general, are resistant to oxidative attack due to the electron-withdrawing nature of the nitro groups and the stability of the benzene ring. However, the bacterium Comamonas sp. strain JS765 can grow with nitrobenzene as a sole source of carbon, nitrogen and energy. Biodegradation is initiated by the nitrobenzene dioxygenase (NBDO) system. We have determined the structure of NBDO, which has a hetero-hexameric structure similar to that of several other Rieske non-heme iron dioxygenases. The catalytic subunit contains a Rieske iron-sulfur center and an active-site mononuclear iron atom. The structures of complexes with substrates nitrobenzene and 3-nitrotoluene reveal the structural basis for its activity with nitroarenes. The substrate pocket contains an asparagine residue that forms a hydrogen bond to the nitro-group of the substrate, and orients the substrate in relation to the active-site mononuclear iron atom, positioning the molecule for oxidation at the nitro-substituted carbon.

  18. The CopC Family: Structural and Bioinformatic Insights into a...

    Office of Scientific and Technical Information (OSTI)

    OSTI Identifier: 1249255 Resource Type: Journal Article Resource Relation: Journal Name: Biochemistry-US; Journal Volume: 55; Journal Issue: (15) ; 04, 2016 Research Org: Advanced ...

  19. An insight into actual energy use and its drivers in high-performance buildings

    SciTech Connect (OSTI)

    Li, Cheng; Hong, Tianzhen; Yan, Da

    2014-07-12

    Using portfolio analysis and individual detailed case studies, we studied the energy performance and drivers of energy use in 51 high-performance office buildings in the U.S., Europe, China, and other parts of Asia. Portfolio analyses revealed that actual site energy use intensity (EUI) of the study buildings varied by a factor of as much as 11, indicating significant variation in real energy use in HPBs worldwide. Nearly half of the buildings did not meet the American Society of Heating, Refrigerating, and Air Conditioning Engineers (ASHRAE) Standard 90.1-2004 energy target, raising questions about whether a building’s certification as high performing accurately indicates that a building is energy efficient and suggesting that improvement in the design and operation of HPBs is needed to realize their energy-saving potential. We studied the influence of climate, building size, and building technologies on building energy performance and found that although all are important, none are decisive factors in building energy use. EUIs were widely scattered in all climate zones. There was a trend toward low energy use in small buildings, but the correlation was not absolute; some small HPBs exhibited high energy use, and some large HPBs exhibited low energy use. We were unable to identify a set of efficient technologies that correlated directly to low EUIs. In two case studies, we investigated the influence of occupant behavior as well as operation and maintenance on energy performance and found that both play significant roles in realizing energy savings. We conclude that no single factor determines the actual energy performance of HPBs, and adding multiple efficient technologies does not necessarily improve building energy performance; therefore, an integrated design approach that takes account of climate, technology, occupant behavior, and operations and maintenance practices should be implemented to maximize energy savings in HPBs. As a result, these findings are intended to help architects, engineers, operators, and policy makers improve the design and operation of HPBs.

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

    Office of Scientific and Technical Information (OSTI)

    Xiamen Univ., Xiamen (China); Dalian Institute of Chemical Physics, Dalian (China) Xiamen Univ., Xiamen (China) Univ. Central de Venezuela, Caracas (Venezuela) Brookhaven National ...

  1. Insights into colour-tuning of chlorophyll optical response in green plants

    DOE PAGES-Beta [OSTI]

    Jornet-Somoza, Joaquim; Alberdi-Rodriguez, Joseba; Milne, Bruce F.; Andrade, Xavier; Marques, Miguel A. L.; Nogueira, Fernando; Oliveira, Micael J. T.; Stewart, James J. P.; Rubio, Angel

    2015-07-17

    Here, we performed first-principles calculations within the framework of real-space time-dependent density functional theory for the complete chlorophyll (Chl) network of the light-harvesting complex from green plants, LHC-II. A local-dipole analysis method developed for this work has made possible the studies of the optical response of individual Chl molecules subjected to the influence of the remainder of the chromophore network. The spectra calculated using our real-space TDDFT method agree with previous suggestions that weak interaction with the protein microenvironment should produce only minor changes in the absorption spectrum of Chl chromophores in LHC-II. In addition, relative shifting of Chl absorptionmore » energies leads the stromal and lumenal sides of LHC-II to absorb in slightly different parts of the visible spectrum providing greater coverage of the available light frequencies. The site-specific alterations in Chl excitation energies support the existence of intrinsic energy transfer pathways within the LHC-II complex.« less

  2. 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.

  3. 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.

  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. New Insights for Improving the Designs of Flexible Duct Junction Boxes (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2014-01-01

    IBACOS explored the relationships between pressure and physical configurations of flexible duct junction boxes by using computational fluid dynamics (CFD) simulations to predict individual box parameters and total system pressure, thereby ensuring improved HVAC performance. Current Air Conditioning Contractors of America (ACCA) guidance (Group 11, Appendix 3, ACCA Manual D, Rutkowski 2009) allows for unconstrained variation in the number of takeoffs, box sizes, and takeoff locations. The only variables currently used in selecting an equivalent length (EL) are velocity of air in the duct and friction rate, given the first takeoff is located at least twice its diameter away from the inlet. This condition does not account for other factors impacting pressure loss across these types of fittings. For each simulation, the IBACOS team converted pressure loss within a box to an EL to compare variation in ACCA Manual D guidance to the simulated variation. IBACOS chose cases to represent flows reasonably correlating to flows typically encountered in the field and analyzed differences in total pressure due to increases in number and location of takeoffs, box dimensions, and velocity of air, and whether an entrance fitting is included. The team also calculated additional balancing losses for all cases due to discrepancies between intended outlet flows and natural flow splits created by the fitting. In certain asymmetrical cases, the balancing losses were significantly higher than symmetrical cases where the natural splits were close to the targets. Thus, IBACOS has shown additional design constraints that can ensure better system performance.

  6. Technology Solutions Case Study: New Insights for Improving the Designs of Flexible Duct Junction Boxes

    SciTech Connect (OSTI)

    2014-01-01

    In this project, 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.

  7. 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.

  8. 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.

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

    SciTech Connect (OSTI)

    Hemme, Christopher; Deng, Ye; Gentry, Terry; Fields, Matthew Wayne; Wu, Liyou; Barua, Soumitra; Barry, Kerry; Green-Tringe, Susannah; Watson, David B; He, Zhili; Hazen, Terry; Tiedje, James M.; Rubin, Edward M.; Zhou, Jizhong

    2010-02-01

    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 (~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 - and -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.

  10. Promising Fuel Cycle Options for R&D - Results, Insights, and...

    Office of Scientific and Technical Information (OSTI)

    Development Program conducted a detailed evaluation and screening of nuclear fuel cycles. ... Resource Relation: Conference: International Congress on Advances in Nuclear Power Plants ...

  11. New Insight on a Familiar Glow | U.S. DOE Office of Science ...

    Office of Science (SC) [DOE]

    The green glow from these proteins is an integral part of studying the behavior of cellular components involved in producing solar fuels. The Science Invaluable as markers for ...

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

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    will be used to refine estimates of the nature, distribution and concentration of gas ... "Understanding the nature and setting of deepwater gas hydrates is central to the National ...

  13. Spin pumping and inverse spin Hall effects—Insights for future spin-orbitronics (invited)

    SciTech Connect (OSTI)

    Zhang, Wei Jungfleisch, Matthias B.; Jiang, Wanjun; Fradin, Frank Y.; Pearson, John E.; Hoffmann, Axel; Sklenar, Joseph; Ketterson, John B.

    2015-05-07

    Quantification of spin-charge interconversion has become increasingly important in the fast-developing field of spin-orbitronics. Pure spin current generated by spin pumping acts as a sensitive probe for many bulk and interface spin-orbit effects, which has been indispensable for the discovery of many promising new spin-orbit materials. We apply spin pumping and inverse spin Hall effect experiments, as a useful metrology, and study spin-orbit effects in a variety of metals and metal interfaces. We quantify the spin Hall effects 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 multilayer structures and quantitatively reveal the spin current flow in two consecutive normal metal layers.

  14. New insights into the posttranslational regulation of human cytosolic thioredoxin by S-palmitoylation

    SciTech Connect (OSTI)

    Xu, Zhiyu; Zhong, Liangwei

    2015-05-15

    High level of palmitate is associated with metabolic disorders. We recently showed that enhanced level of S-palmitoylated cytosolic thioredoxin (Trx1) in mouse liver was new characteristic feature of insulin resistance. However, our understanding of the effect of S-palmitoylation on Trx1 is limited, and the tissue specificity of Trx1 S-palmitoylation is unclear. Here we show that S-palmitoylation also occurs at Cys73 of Trx1 in living endothelial cells, and the level of S-palmitoylated Trx1 undergoes regulation by insulin signaling. Trx1 prefers thiol-thioester exchange with palmitoyl-CoA to acetyl-CoA. S-palmitoylation alters conformation or secondary structure of Trx1, as well as decreases the ability of Trx1 to transfer electrons from thioredoxin reductase to S-nitrosylated protein–tyrosine phosphatase 1B and S-nitroso-glutathione. Our results demonstrate that S-palmitoylation is an important post-translational modification of human Trx1. - Highlights: • S-palmitoylation occurs at Cys73 of Trx1 in living endothelial cells. • Insulin signaling may regulate level of S-palmitoylated Trx1 in the cells. • S-palmitoylation plays significant effects on Trx1 structure and functions.

  15. 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.

  16. Tolerance of the Spinal Cord to Stereotactic Radiosurgery: Insights From Hemangioblastomas

    SciTech Connect (OSTI)

    Daly, Megan E.; Choi, Clara Y.H.; Gibbs, Iris C.; Adler, John R.; Chang, Steven D.; Lieberson, Robert E.; Soltys, Scott G.

    2011-05-01

    Purpose: To evaluate spinal cord dose-volume effects, we present a retrospective review of stereotactic radiosurgery (SRS) treatments for spinal cord hemangioblastomas. Methods and Materials: From November 2001 to July 2008, 27 spinal hemangioblastomas were treated in 19 patients with SRS. Seventeen tumors received a single fraction with a median dose of 20 Gy (range, 18-30 Gy). Ten lesions were treated using 18-25 Gy in two to three sessions. Cord volumes receiving 8, 10, 12, 14, 16, 18, 20, 22, and 24 Gy and dose to 10, 100, 250, 500, 1000, and 2000 mm{sup 3} of cord were determined. Multisession treatments were converted to single-fraction biologically effective dose (SFBED). Results: Single-fraction median cord D{sub max} was 22.7 Gy (range, 17.8-30.9 Gy). Median V10 was 454 mm{sup 3} (range, 226-3543 mm{sup 3}). Median dose to 500 mm{sup 3} cord was 9.5 Gy (range, 5.3-22.5 Gy). Fractionated median SFBED{sub 3} cord D{sub max} was 14.1 Gy{sub 3} (range, 12.3-19.4 Gy{sub 3}). Potential toxicities included a Grade 2 unilateral foot drop 5 months after SRS and 2 cases of Grade 1 sensory deficits. The actuarial 3-year local tumor control estimate was 86%. Conclusions: Despite exceeding commonly cited spinal cord dose constraints, SRS for spinal hemangioblastomas is safe and effective. Consistent with animal experiments, these data support a partial-volume tolerance model for the human spinal cord. Because irradiated cord volumes were generally small, application of these data to other clinical scenarios should be made cautiously. Further prospective studies of spinal radiosurgery are needed.

  17. 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.

  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. 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).

  20. 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.