National Library of Energy BETA

Sample records for recognition particle-receptor complex

  1. Signal Recognition Particle-Receptor Complex Structure Solved

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

    Signal Recognition Particle-Receptor Complex Structure Solved Signal Recognition Particle-Receptor Complex Structure Solved Print Monday, 27 February 2012 15:06 The signal recognition particle (SRP) is a ubiquitous ribonucleoprotein (RNP) complex that delivers membrane and secretory proteins to the cell membrane in prokaryotes and in eukaryotes to the endoplasmic reticulum (ER), an organelle that forms a network of protein and lipid synthesizing factories. This process, called co-translational

  2. Signal Recognition Particle-Receptor Complex Structure Solved

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

    Signal Recognition Particle-Receptor Complex Structure Solved Print The signal recognition particle (SRP) is a ubiquitous ribonucleoprotein (RNP) complex that delivers membrane and secretory proteins to the cell membrane in prokaryotes and in eukaryotes to the endoplasmic reticulum (ER), an organelle that forms a network of protein and lipid synthesizing factories. This process, called co-translational protein targeting, is an essential and evolutionarily conserved pathway for delivering nascent

  3. Signal Recognition Particle-Receptor Complex Structure Solved

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

    Signal Recognition Particle-Receptor Complex Structure Solved Print The signal recognition particle (SRP) is a ubiquitous ribonucleoprotein (RNP) complex that delivers membrane and secretory proteins to the cell membrane in prokaryotes and in eukaryotes to the endoplasmic reticulum (ER), an organelle that forms a network of protein and lipid synthesizing factories. This process, called co-translational protein targeting, is an essential and evolutionarily conserved pathway for delivering nascent

  4. Signal Recognition Particle-Receptor Complex Structure Solved

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

    Signal Recognition Particle-Receptor Complex Structure Solved Print The signal recognition particle (SRP) is a ubiquitous ribonucleoprotein (RNP) complex that delivers membrane and secretory proteins to the cell membrane in prokaryotes and in eukaryotes to the endoplasmic reticulum (ER), an organelle that forms a network of protein and lipid synthesizing factories. This process, called co-translational protein targeting, is an essential and evolutionarily conserved pathway for delivering nascent

  5. Signal Recognition Particle-Receptor Complex Structure Solved

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

    Signal Recognition Particle-Receptor Complex Structure Solved Print The signal recognition particle (SRP) is a ubiquitous ribonucleoprotein (RNP) complex that delivers membrane and secretory proteins to the cell membrane in prokaryotes and in eukaryotes to the endoplasmic reticulum (ER), an organelle that forms a network of protein and lipid synthesizing factories. This process, called co-translational protein targeting, is an essential and evolutionarily conserved pathway for delivering nascent

  6. Signal Recognition Particle-Receptor Complex Structure Solved

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

    Signal Recognition Particle-Receptor Complex Structure Solved Print The signal recognition particle (SRP) is a ubiquitous ribonucleoprotein (RNP) complex that delivers membrane and secretory proteins to the cell membrane in prokaryotes and in eukaryotes to the endoplasmic reticulum (ER), an organelle that forms a network of protein and lipid synthesizing factories. This process, called co-translational protein targeting, is an essential and evolutionarily conserved pathway for delivering nascent

  7. Signal Recognition Particle-Receptor Complex Structure Solved

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

    channel. An SRP contains ribonucleic acids (RNA) and proteins. When an SRP recognizes the signal sequence of a nascent polypeptide, it forms a complex with its membrane-associated...

  8. Signal Recognition Particle-Receptor Complex Structure Solved

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

    Sign Up for GC Updates Sign Up for GC Updates The Office of the General Counsel maintains listservs and RSS feeds to keep the public up to date about recent actions and legal guidance. Please subscribe to these resources by following the instructions below: GC Hotline Listserv. The DOE General Counsel's Office operates an email hotline for legal questions related to the American Recovery & Reinvestment Act (ARRA), including the State Energy Program (SEP), Energy Efficiency Conservation Block

  9. Structures of the Signal Recognition Particle Receptor From the Archaeon Pyrococcus Furiosus: Implications for the Targeting Step at the Membrane

    SciTech Connect (OSTI)

    Egea, P.F.; Tsuruta, H.; Leon, G.P.de; Napetschnig, J.; Walter, P.; Stroud, R.M.

    2009-05-18

    In all organisms, a ribonucleoprotein called the signal recognition particle (SRP) and its receptor (SR) target nascent proteins from the ribosome to the translocon for secretion or membrane insertion. We present the first X-ray structures of an archeal FtsY, the receptor from the hyper-thermophile Pyrococcus furiosus (Pfu), in its free and GDP {center_dot} magnesium-bound forms. The highly charged N-terminal domain of Pfu-FtsY is distinguished by a long N-terminal helix. The basic charges on the surface of this helix are likely to regulate interactions at the membrane. A peripheral GDP bound near a regulatory motif could indicate a site of interaction between the receptor and ribosomal or SRP RNAs. Small angle X-ray scattering and analytical ultracentrifugation indicate that the crystal structure of Pfu-FtsY correlates well with the average conformation in solution. Based on previous structures of two sub-complexes, we propose a model of the core of archeal and eukaryotic SRP {center_dot} SR targeting complexes.

  10. Structural Basis of UV DNA-Damage Recognition by the DDB1-DDB2 Complex

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Structural Basis of UV DNA-Damage Recognition by the DDB1-DDB2 Complex Citation Details In-Document Search Title: Structural Basis of UV DNA-Damage Recognition by the DDB1-DDB2 Complex Ultraviolet (UV) light-induced pyrimidine photodimers are repaired by the nucleotide excision repair pathway. Photolesions have biophysical parameters closely resembling undamaged DNA, impeding discovery through damage surveillance proteins. The DDB1DDB2 complex serves in

  11. Structural Basis of UV DNA-Damage Recognition by the DDB1-DDB2 Complex

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Structural Basis of UV DNA-Damage Recognition by the DDB1-DDB2 Complex Citation Details In-Document Search Title: Structural Basis of UV DNA-Damage Recognition by the DDB1-DDB2 Complex Ultraviolet (UV) light-induced pyrimidine photodimers are repaired by the nucleotide excision repair pathway. Photolesions have biophysical parameters closely resembling undamaged DNA, impeding discovery through damage surveillance proteins. The DDB1DDB2 complex serves in

  12. Structure of the Human MutSa DNA Lesion Recognition Complex

    SciTech Connect (OSTI)

    Warren,J.; Pohlhaus, T.; Changela, A.; Iyer, R.; Modrich, P.; Beese, L.

    2007-01-01

    Mismatch repair (MMR) ensures the fidelity of DNA replication, initiates the cellular response to certain classes of DNA damage, and has been implicated in the generation of immune diversity. Each of these functions depends on MutS{alpha} (MSH2{center_dot}MSH6 heterodimer). Inactivation of this protein complex is responsible for tumor development in about half of known hereditary nonpolyposis colorectal cancer kindreds and also occurs in sporadic tumors in a variety of tissues. Here, we describe a series of crystal structures of human MutS{alpha} bound to different DNA substrates, each known to elicit one of the diverse biological responses of the MMR pathway. All lesions are recognized in a similar manner, indicating that diversity of MutS{alpha}-dependent responses to DNA lesions is generated in events downstream of this lesion recognition step. This study also allows rigorous mapping of cancer-causing mutations and furthermore suggests structural pathways for allosteric communication between different regions within the heterodimer.

  13. T cell receptor recognition of a 'super-bulged' major histocompatibility complex class I?bound peptide

    SciTech Connect (OSTI)

    Tynan, Fleur E.; Burrows, Scott R.; Buckle, Ashley M.; Clements, Craig S.; Borg, Natalie A.; Miles, John J.; Beddoe, Travis; Whisstock, James C.; Wilce, Matthew C.; Silins, Sharon L.; Burrows, Jacqueline M.; Kjer-Nielsen, Lars; Kostenko, Lyudmila; Purcell, Anthony W.; McCluskey, James; Rossjohn, Jamie

    2010-07-20

    Unusually long major histocompatibility complex (MHC) class I-restricted epitopes are important in immunity, but their 'bulged' conformation represents a potential obstacle to {alpha}{beta} T cell receptor (TCR)-MHC class I docking. To elucidate how such recognition is achieved while still preserving MHC restriction, we have determined here the structure of a TCR in complex with HLA-B*3508 presenting a peptide 13 amino acids in length. This complex was atypical of TCR-peptide-MHC class I interactions, being dominated at the interface by peptide-mediated interactions. The TCR assumed two distinct orientations, swiveling on top of the centrally bulged, rigid peptide such that only limited contacts were made with MHC class I. Although the TCR-peptide recognition resembled an antibody-antigen interaction, the TCR-MHC class I contacts defined a minimal 'generic footprint' of MHC-restriction. Thus our findings simultaneously demonstrate the considerable adaptability of the TCR and the 'shape' of MHC restriction.

  14. Binding and Recognition in the Assembly of an Active BRCA1/BARD1 Ubiquitin-Ligase Complex

    SciTech Connect (OSTI)

    Brzovic, Peter S.; Keeffe, Jennifer R.; Nishikawa, Hiroyuki; Miyamoto, Keiko; Fox, David; Fukuda, Mamoru; Ohta, Tomohiko; Klevit, Rachel E.

    2003-05-13

    BRCA1 is a breast and ovarian cancer tumor suppressor protein that associates with BARD1 to form a RING/RING heterodimer. The BRCA1/BARD1 RING complex functions as an ubiquitin (Ub) ligase with activity substantially greater than individual BRCA1 or BARD1 subunits. By using NMR spectroscopy and site-directed mutagenesis, we have mapped the binding site on the BRCA1/BARD1 heterodimer for the Ub-conjugating enzyme UbcH5c. The results demonstrate that UbcH5c binds only to the BRCA1 RING domain and not the BARD1 RING. The binding interface is formed by the first and second Zn2+-loops and central -helix of the BRCA1 RING domain, a region disrupted by cancer-predisposing mutations. Unexpectedly, a second Ub-conjugating enzyme, UbcH7, also interacts with the BRCA1/BARD1 complex with similar affinity, although it is not active in Ub-ligase activity assays. Thus, binding alone is not sufficient for BRCA1-dependent Ub-ligase activity.

  15. Constraints within major histocompatibility complex class I restricted peptides: Presentation and consequences for T-cell recognition

    SciTech Connect (OSTI)

    Theodossis, Alex; Guillonneau, Carole; Welland, Andrew; Ely, Lauren K.; Clements, Craig S.; Williamson, Nicholas A.; Webb, Andrew I.; Wilce, Jacqueline A.; Mulder, Roger J.; Dunstone, Michelle A.; Doherty, Peter C.; McCluskey, James; Purcell, Anthony W.; Turner, Stephen J.; Rossjohn, Jamie

    2010-03-24

    Residues within processed protein fragments bound to major histocompatibility complex class I (MHC-I) glycoproteins have been considered to function as a series of 'independent pegs' that either anchor the peptide (p) to the MHC-I and/or interact with the spectrum of {alpha}{beta}-T-cell receptors (TCRs) specific for the pMHC-I epitope in question. Mining of the extensive pMHC-I structural database established that many self- and viral peptides show extensive and direct interresidue interactions, an unexpected finding that has led us to the idea of 'constrained' peptides. Mutational analysis of two constrained peptides (the HLA B44 restricted self-peptide (B44DP{alpha}-EEFGRAFSF)) and an H2-D{sup b} restricted influenza peptide (D{sup b}PA, SSLENFRAYV) demonstrated that the conformation of the prominently exposed arginine in both peptides was governed by interactions with MHC-I-orientated flanking residues from the peptide itself. Using reverse genetics in a murine influenza model, we revealed that mutation of an MHC-I-orientated residue (SSLENFRAYV {yields} SSLENARAYV) within the constrained PA peptide resulted in a diminished cytotoxic T lymphocyte (CTL) response and the recruitment of a limited pMHC-I specific TCR repertoire. Interactions between individual peptide positions can thus impose fine control on the conformation of pMHC-I epitopes, whereas the perturbation of such constraints can lead to a previously unappreciated mechanism of viral escape.

  16. Structural Basis of UV DNA-Damage Recognition by the DDB1-DDB2...

    Office of Scientific and Technical Information (OSTI)

    Recognition by the DDB1-DDB2 Complex Citation Details In-Document Search Title: Structural Basis of UV DNA-Damage Recognition by the DDB1-DDB2 Complex Ultraviolet (UV) ...

  17. ALSNews Vol. 328

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

    Read more... Contact: This e-mail address is being protected from spambots. You need JavaScript enabled to view it Signal Recognition Particle-Receptor Complex Structure Solved The...

  18. Reporting and Recognition Template

    Broader source: Energy.gov [DOE]

    Better Buildings Residential Network Reporting and Recognition Template. Please submit your organization’s number of upgrades and associated benefits from fiscal year (FY) 2015 using this template by May 13, 2016 to bbresidentialnetwork@ee.doe.gov, or provide the information in another format, such as via email, a document, spreadsheet, graphic, or chart.

  19. George Washington Carver Recognition Day

    Broader source: Energy.gov [DOE]

    In commemoration of George Washington Carver’s life and work, Congress declared January 5 as George Washington Carver Recognition Day.

  20. Innovative Manufacturing Initiative Recognition Day

    Broader source: Energy.gov [DOE]

    The Innovative Manufacturing Initiative (IMI) Recognition Day (held in Washington, DC on June 20, 2012) showcased IMI projects selected by the Energy Department to help American manufacturers...

  1. Employee Performance and Recognition Program - DOE Directives...

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

    31.1D, Employee Performance and Recognition Program by Lorrenda Buckner Functional areas: Employee Recognition, Performance Management The Order establishes requirements and...

  2. Substrate Recognition Strategy for Botulinum Neurotoxin

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

    Substrate Recognition Strategy for Botulinum Neurotoxin Substrate Recognition Strategy for Botulinum Neurotoxin Print Wednesday, 25 May 2005 00:00 Clostridal neurotoxins (CNTs) are...

  3. Innovative Manufacturing Initiative Recognition Day, Advanced...

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

    More Documents & Publications Innovative Manufacturing Initiative Recognition Day Advanced Manufacturing Office Overview Unlocking the Potential of Additive Manufacturing in the ...

  4. Innovative Manufacturing Initiative Recognition Day

    Broader source: Energy.gov [DOE]

    The Innovative Manufacturing Initiative (IMI) Recognition Day (held in Washington, DC on June 20, 2012) showcased IMI projects selected by the Energy Department to help American manufacturers dramatically increase the energy efficiency of their operations and reduce costs. Each project will advance transformational technologies and materials that can benefit a broad cross-section of the domestic economy. This event created a platform for inter-agency and industry networking and also raised awareness among congressional staff and private investors.

  5. recognition for outstanding lifetime achievement

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

    recognition for outstanding lifetime achievement - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Fuel Cycle Defense Waste

  6. The structural basis for receptor recognition of human interleukin-18

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

    Tsutsumi, Naotaka; Kimura, Takeshi; Arita, Kyohei; Ariyoshi, Mariko; Ohnishi, Hidenori; Yamamoto, Takahiro; Zuo, Xiaobing; Maenaka, Katsumi; Park, Enoch Y.; Kondo, Naomi; et al

    2014-12-15

    Interleukin (IL)-18 is a proinflammatory cytokine that belongs to the IL-1 family and plays an important role in inflammation. The uncontrolled release of this cytokine is associated with severe chronic inflammatory disease. IL-18 forms a signalling complex with the IL-18 receptor α (Rα) and β (Rβ) chains at the plasma membrane, which induces multiple inflammatory cytokines. Here, we present a crystal structure of human IL-18 bound to the two receptor extracellular domains. Generally, the receptors’ recognition mode for IL-18 is similar to IL-1β; however, certain notable differences were observed. The architecture of the IL-18 receptor second domain (D2) is uniquemore » among the other IL-1R family members, which presumably distinguishes them from the IL-1 receptors that exhibit a more promiscuous ligand recognition mode. The structures and associated biochemical and cellular data should aid in developing novel drugs to neutralize IL-8 activity.« less

  7. The structural basis for receptor recognition of human interleukin-18

    SciTech Connect (OSTI)

    Tsutsumi, Naotaka; Kimura, Takeshi; Arita, Kyohei; Ariyoshi, Mariko; Ohnishi, Hidenori; Yamamoto, Takahiro; Zuo, Xiaobing; Maenaka, Katsumi; Park, Enoch Y.; Kondo, Naomi; Shirakawa, Masahiro; Tochio, Hidehito; Kato, Zenichiro

    2014-12-15

    Interleukin (IL)-18 is a proinflammatory cytokine that belongs to the IL-1 family and plays an important role in inflammation. The uncontrolled release of this cytokine is associated with severe chronic inflammatory disease. IL-18 forms a signalling complex with the IL-18 receptor α (Rα) and β (Rβ) chains at the plasma membrane, which induces multiple inflammatory cytokines. Here, we present a crystal structure of human IL-18 bound to the two receptor extracellular domains. Generally, the receptors’ recognition mode for IL-18 is similar to IL-1β; however, certain notable differences were observed. The architecture of the IL-18 receptor second domain (D2) is unique among the other IL-1R family members, which presumably distinguishes them from the IL-1 receptors that exhibit a more promiscuous ligand recognition mode. The structures and associated biochemical and cellular data should aid in developing novel drugs to neutralize IL-8 activity.

  8. Recognition and Awards Program - Hanford Site

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

    About Us Hanford Site Wide Programs DOE Human Resources Management Recognition and Awards Program About Us DOE Human Resources Management Division DOE Employment Recognition and Awards Program Gold Awards Silver Award Federal Employees Union (AFGE Local 788) Work Schedules / Pay and Leave Benefits and Services EEO & Diversity Recognition and Awards Program Email Email Page | Print Print Page |Text Increase Font Size Decrease Font Size Welcome to DOE Human Resources Management Division

  9. Mechanism and Substrate Recognition of 2-Hydroxyethylphosphonate...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Mechanism and Substrate Recognition of ... Publication Date: 2011-09-20 OSTI Identifier: 1024499 Resource Type: Journal Article ...

  10. Substrate Recognition Strategy for Botulinum Neurotoxin

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

    Substrate Recognition Strategy for Botulinum Neurotoxin Print Clostridal neurotoxins (CNTs) are the causative agents of the neuroparalytic diseases botulism and tetanus. By...

  11. Reciprocal Recognition of Existing Personnel Security Clearances

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2006-07-20

    Provides direction for implementing actions required by the Office of Management and Budget memorandum, Reciprocal Recognition of Existing Personnel Security Clearances.

  12. Innovative Manufacturing Initiative Recognition Day - Final Participant

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

    Listing | Department of Energy Day - Final Participant Listing Innovative Manufacturing Initiative Recognition Day - Final Participant Listing PDF icon imi_recogitionday_participants.pdf More Documents & Publications Innovative Manufacturing Initiative Recognition Day 2015 AMO Peer Review Agenda CX-100154 Categorical Exclusion Determination

  13. Innovative Manufacturing Initiative Recognition Day, Advanced Manufacturing

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

    Office (AMO) | Department of Energy Day, Advanced Manufacturing Office (AMO) Innovative Manufacturing Initiative Recognition Day, Advanced Manufacturing Office (AMO) PDF icon imi_recogitionday_leo_june2012.pdf More Documents & Publications Innovative Manufacturing Initiative Recognition Day Advanced Manufacturing Office Overview Unlocking the Potential of Additive Manufacturing in the Fuel Cells Industry

  14. Robotic CCD microscope for enhanced crystal recognition

    DOE Patents [OSTI]

    Segelke, Brent W.; Toppani, Dominique

    2007-11-06

    A robotic CCD microscope and procedures to automate crystal recognition. The robotic CCD microscope and procedures enables more accurate crystal recognition, leading to fewer false negative and fewer false positives, and enable detection of smaller crystals compared to other methods available today.

  15. Innovative Manufacturing Initiatives Recognition Day Agenda | Department of

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

    Energy Initiatives Recognition Day Agenda Innovative Manufacturing Initiatives Recognition Day Agenda PDF icon imi_recogitionday_agenda.pdf More Documents & Publications Innovative Manufacturing Initiative Recognition Day Manufacturing Demonstration Facilities Workshop Agenda, March 2012 Critical Materials Workshop Agenda

  16. Structure of Fc[gamma]RI in complex with Fc reveals the importance...

    Office of Scientific and Technical Information (OSTI)

    complex with Fc reveals the importance of glycan recognition for high-affinity IgG binding Citation Details In-Document Search Title: Structure of FcgammaRI in complex with Fc ...

  17. Lemelson Recognition and Mentoring Programme L RAMP | Open Energy...

    Open Energy Info (EERE)

    Lemelson Recognition and Mentoring Programme L RAMP Jump to: navigation, search Name: Lemelson Recognition and Mentoring Programme (L-RAMP) Place: India Sector: Services Product:...

  18. Characterizing Loop Dynamics and Ligand Recognition in Human...

    Office of Scientific and Technical Information (OSTI)

    Characterizing Loop Dynamics and Ligand Recognition in Human- and Avian-Type Influenza ... Recognition in Human- and Avian-Type Influenza Neuraminidases via Generalized Born ...

  19. Berkeley Lab Climate Software Honored for Pattern Recognition...

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

    Climate Software Honored for Pattern Recognition Advances Berkeley Lab Climate Software Honored for Pattern Recognition Advances September 17, 2015 Contact: Kathy Kincade, +1 510 ...

  20. Los Alamos National Laboratory receives Star Status recognition...

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

    LANL receives recognition for safety excellence Los Alamos National Laboratory receives Star Status recognition for safety excellence from Department of Energy Los Alamos becomes...

  1. Visual cluster analysis and pattern recognition methods

    DOE Patents [OSTI]

    Osbourn, Gordon Cecil; Martinez, Rubel Francisco

    2001-01-01

    A method of clustering using a novel template to define a region of influence. Using neighboring approximation methods, computation times can be significantly reduced. The template and method are applicable and improve pattern recognition techniques.

  2. Webinar: Leadership Recognition with Housing Innovation Awards

    Broader source: Energy.gov [DOE]

    Title: Leadership Recognition with Housing Innovation Awards             Date: Wednesday, May 21, 2014Time: 12:00PM - 1:00 PM EST

  3. Innovative Manufacturing Initiatives Recognition Day Agenda

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

    Innovative Manufacturing Initiatives Recognition Day June 20, 2012 The Embassy Row Hotel - 2015 Massachusetts Ave, NW 9:00-9:05am Welcome - Dr. Leo Christodoulou, DOE AMO Program...

  4. New Lab facility receives green building recognition

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

    New Lab Facility Receives Green Building Recognition Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue:May 2016 all issues All Issues » submit New Lab facility receives green building recognition The Radiological Laboratory Utility Office Building is the first to achieve Leadership in Energy and Environmental Design status and LEED Gold certification from the U.S. Green Building Council. August 1, 2012 dummy image Read our archives

  5. Substrate Recognition Strategy for Botulinum Neurotoxin

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

    Substrate Recognition Strategy for Botulinum Neurotoxin Substrate Recognition Strategy for Botulinum Neurotoxin Print Wednesday, 25 May 2005 00:00 Clostridal neurotoxins (CNTs) are the causative agents of the neuroparalytic diseases botulism and tetanus. By inhibiting release of the neurotransmitter acetylcholine, for example, the neurotoxin produced by the bacterium Clostridium botulinum interferes with nerve impulses and causes a paralysis of respiratory and skeletal muscles that can cause

  6. Mechanism and Substrate Recognition of 2-Hydroxyethylphosphonate

    Office of Scientific and Technical Information (OSTI)

    Dioxygenase (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Mechanism and Substrate Recognition of 2-Hydroxyethylphosphonate Dioxygenase Citation Details In-Document Search Title: Mechanism and Substrate Recognition of 2-Hydroxyethylphosphonate Dioxygenase HEPD belongs to the superfamily of 2-His-1-carboxylate non-heme iron-dependent dioxygenases. It converts 2-hydroxyethylphosphonate (2-HEP) to hydroxymethylphosphonate (HMP) and formate. Previously

  7. Recognition Ceremony to Highlight Students' Success

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

    Recognition Ceremony to Highlight Students' Success For more information contact: Syl Morgan-Smith (303) 275-3001 e:mail: Public Affairs Golden, Colo., June 2, 1998 — A recognition ceremony June 3 featuring special guest Vinny Castilla of the Colorado Rockies will commemorate the success of a pilot tutor program involving about 200 students in 17 Denver Public Schools. The Coalition for Learning Opportunities and United Tutors (CLOUT) paired volunteers with fourth graders who needed help with

  8. Door latching recognition apparatus and process

    DOE Patents [OSTI]

    Eakle, Jr., Robert F.

    2012-05-15

    An acoustic door latch detector is provided in which a sound recognition sensor is integrated into a door or door lock mechanism. The programmable sound recognition sensor can be trained to recognize the acoustic signature of the door and door lock mechanism being properly engaged and secured. The acoustic sensor will signal a first indicator indicating that proper closure was detected or sound an alarm condition if the proper acoustic signature is not detected within a predetermined time interval.

  9. ZERH Webinar: Sales and Value Recognition of Zero Energy Ready...

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

    ZERH Webinar: Sales and Value Recognition of Zero Energy Ready Homes ZERH Webinar: Sales and Value Recognition of Zero Energy Ready Homes December 18, 2014 12:00PM to 1:15PM EST ...

  10. PM Workshop 2012 Awards Recognition - Secretary's Awards | Department of

    Energy Savers [EERE]

    Energy Workshop 2012 Awards Recognition - Secretary's Awards PM Workshop 2012 Awards Recognition - Secretary's Awards 2014 DOE Project Management Workshop PDF icon 29a_PM Workshop 2012 Awards Recognition.pdf More Documents & Publications 2012 Awards for Project Management Secretary's Achievement Award Secretary's 2014 Award of Excellence

  11. Voluntary Protection Program Onsite Review, Y-12 National Security Complex

    Energy Savers [EERE]

    - April 2012 | Department of Energy Y-12 National Security Complex - April 2012 Voluntary Protection Program Onsite Review, Y-12 National Security Complex - April 2012 April 2012 Evaluation to determine whether Y-12 National Security Complex is continuing to perform at a level deserving DOE-VPP Star recognition. The Team conducted its review during April 10-19, 2012 to determine whether Babcock & Wilcox Technical Services Y-12, LLC is continuing to perform at a level deserving DOE-VPP

  12. Feature recognition applications in mesh generation

    SciTech Connect (OSTI)

    Tautges, T.J.; Liu, S.S.; Lu, Y.; Kraftcheck, J.; Gadh, R.

    1997-06-01

    The use of feature recognition as part of an overall decomposition-based hexahedral meshing approach is described in this paper. The meshing approach consists of feature recognition, using a c-loop or hybrid c-loop method, and the use of cutting surfaces to decompose the solid model. These steps are part of an iterative process, which proceeds either until no more features can be recognized or until the model has been completely decomposed into meshable sub-volumes. This method can greatly reduce the time required to generate an all-hexahedral mesh, either through the use of more efficient meshing algorithms on more of the geometry or by reducing the amount of manual decomposition required to mesh a volume.

  13. Substrate Recognition Strategy for Botulinum Neurotoxin

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

    Substrate Recognition Strategy for Botulinum Neurotoxin Print Clostridal neurotoxins (CNTs) are the causative agents of the neuroparalytic diseases botulism and tetanus. By inhibiting release of the neurotransmitter acetylcholine, for example, the neurotoxin produced by the bacterium Clostridium botulinum interferes with nerve impulses and causes a paralysis of respiratory and skeletal muscles that can cause death. Researchers from Stanford University have now determined the first structure of a

  14. Substrate Recognition Strategy for Botulinum Neurotoxin

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

    Substrate Recognition Strategy for Botulinum Neurotoxin Print Clostridal neurotoxins (CNTs) are the causative agents of the neuroparalytic diseases botulism and tetanus. By inhibiting release of the neurotransmitter acetylcholine, for example, the neurotoxin produced by the bacterium Clostridium botulinum interferes with nerve impulses and causes a paralysis of respiratory and skeletal muscles that can cause death. Researchers from Stanford University have now determined the first structure of a

  15. Substrate Recognition Strategy for Botulinum Neurotoxin

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

    Substrate Recognition Strategy for Botulinum Neurotoxin Print Clostridal neurotoxins (CNTs) are the causative agents of the neuroparalytic diseases botulism and tetanus. By inhibiting release of the neurotransmitter acetylcholine, for example, the neurotoxin produced by the bacterium Clostridium botulinum interferes with nerve impulses and causes a paralysis of respiratory and skeletal muscles that can cause death. Researchers from Stanford University have now determined the first structure of a

  16. Event identification by acoustic signature recognition

    SciTech Connect (OSTI)

    Dress, W.B.; Kercel, S.W.

    1995-07-01

    Many events of interest to the security commnnity produce acoustic emissions that are, in principle, identifiable as to cause. Some obvious examples are gunshots, breaking glass, takeoffs and landings of small aircraft, vehicular engine noises, footsteps (high frequencies when on gravel, very low frequencies. when on soil), and voices (whispers to shouts). We are investigating wavelet-based methods to extract unique features of such events for classification and identification. We also discuss methods of classification and pattern recognition specifically tailored for acoustic signatures obtained by wavelet analysis. The paper is divided into three parts: completed work, work in progress, and future applications. The completed phase has led to the successful recognition of aircraft types on landing and takeoff. Both small aircraft (twin-engine turboprop) and large (commercial airliners) were included in the study. The project considered the design of a small, field-deployable, inexpensive device. The techniques developed during the aircraft identification phase were then adapted to a multispectral electromagnetic interference monitoring device now deployed in a nuclear power plant. This is a general-purpose wavelet analysis engine, spanning 14 octaves, and can be adapted for other specific tasks. Work in progress is focused on applying the methods previously developed to speaker identification. Some of the problems to be overcome include recognition of sounds as voice patterns and as distinct from possible background noises (e.g., music), as well as identification of the speaker from a short-duration voice sample. A generalization of the completed work and the work in progress is a device capable of classifying any number of acoustic events-particularly quasi-stationary events such as engine noises and voices and singular events such as gunshots and breaking glass. We will show examples of both kinds of events and discuss their recognition likelihood.

  17. Report: Employee Recruitment and Service Recognition

    Office of Environmental Management (EM)

    Employee Recruitment and Service Recognition September 30, 2009 Submitted by the EMAB Human Capital Subcommittee Background: In Fiscal Year (FY) 2009, the Environmental Management Advisory Board (EMAB) was tasked by Assistant Secretary Triay to continue identifying and sharing corporate experiences, strategies, and programs that are adaptable to EM's diversity and employee recruitment and retention initiatives. In order to pursue this charge, EMAB extended the operation of its Human Capital

  18. Substrate Recognition Strategy for Botulinum Neurotoxin

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

    Substrate Recognition Strategy for Botulinum Neurotoxin Print Clostridal neurotoxins (CNTs) are the causative agents of the neuroparalytic diseases botulism and tetanus. By inhibiting release of the neurotransmitter acetylcholine, for example, the neurotoxin produced by the bacterium Clostridium botulinum interferes with nerve impulses and causes a paralysis of respiratory and skeletal muscles that can cause death. Researchers from Stanford University have now determined the first structure of a

  19. Structure of Fc[gamma]RI in complex with Fc reveals the importance of

    Office of Scientific and Technical Information (OSTI)

    glycan recognition for high-affinity IgG binding (Journal Article) | SciTech Connect Structure of Fc[gamma]RI in complex with Fc reveals the importance of glycan recognition for high-affinity IgG binding Citation Details In-Document Search Title: Structure of Fc[gamma]RI in complex with Fc reveals the importance of glycan recognition for high-affinity IgG binding Authors: Lu, Jinghua ; Chu, Jonathan ; Zou, Zhongcheng ; Hamacher, Nels B. ; Rixon, Mark W. ; Sun, Peter D. [1] ; BMS) [2] + Show

  20. Promiscuous Substrate Recognition in Folding and Assembly Activities of the Trigger Factor Chaperone

    SciTech Connect (OSTI)

    Martinez-Hackert, E.; Hendrickson, W

    2009-01-01

    Trigger factor (TF) is a molecular chaperone that binds to bacterial ribosomes where it contacts emerging nascent chains, but TF is also abundant free in the cytosol where its activity is less well characterized. In vitro studies show that TF promotes protein refolding. We find here that ribosome-free TF stably associates with and rescues from misfolding a large repertoire of full-length proteins. We identify over 170 members of this cytosolic Escherichia coli TF substrate proteome, including ribosomal protein S7. We analyzed the biochemical properties of a TF:S7 complex from Thermotoga maritima and determined its crystal structure. Thereby, we obtained an atomic-level picture of a promiscuous chaperone in complex with a physiological substrate protein. The structure of the complex reveals the molecular basis of substrate recognition by TF, indicates how TF could accelerate protein folding, and suggests a role for TF in the biogenesis of protein complexes.

  1. Pattern recognition monitoring of PEM fuel cell

    DOE Patents [OSTI]

    Meltser, Mark Alexander

    1999-01-01

    The CO-concentration in the H.sub.2 feed stream to a PEM fuel cell stack is monitored by measuring current and voltage behavior patterns from an auxiliary cell attached to the end of the stack. The auxiliary cell is connected to the same oxygen and hydrogen feed manifolds that supply the stack, and discharges through a constant load. Pattern recognition software compares the current and voltage patterns from the auxiliary cell to current and voltage signature determined from a reference cell similar to the auxiliary cell and operated under controlled conditions over a wide range of CO-concentrations in the H.sub.2 fuel stream.

  2. Pattern recognition monitoring of PEM fuel cell

    DOE Patents [OSTI]

    Meltser, M.A.

    1999-08-31

    The CO-concentration in the H{sub 2} feed stream to a PEM fuel cell stack is monitored by measuring current and voltage behavior patterns from an auxiliary cell attached to the end of the stack. The auxiliary cell is connected to the same oxygen and hydrogen feed manifolds that supply the stack, and discharges through a constant load. Pattern recognition software compares the current and voltage patterns from the auxiliary cell to current and voltage signature determined from a reference cell similar to the auxiliary cell and operated under controlled conditions over a wide range of CO-concentrations in the H{sub 2} fuel stream. 4 figs.

  3. Frontal view reconstruction for iris recognition

    DOE Patents [OSTI]

    Santos-Villalobos, Hector J; Bolme, David S; Boehnen, Chris Bensing

    2015-02-17

    Iris recognition can be accomplished for a wide variety of eye images by correcting input images with an off-angle gaze. A variety of techniques, from limbus modeling, corneal refraction modeling, optical flows, and genetic algorithms can be used. A variety of techniques, including aspherical eye modeling, corneal refraction modeling, ray tracing, and the like can be employed. Precomputed transforms can enhance performance for use in commercial applications. With application of the technologies, images with significantly unfavorable gaze angles can be successfully recognized.

  4. Automatic TLI recognition system, programmer`s guide

    SciTech Connect (OSTI)

    Lassahn, G.D.

    1997-02-01

    This report describes the software of an automatic target recognition system (version 14), from a programmer`s point of view. The intent is to provide information that will help people who wish to modify the software. In separate volumes are a general description of the ATR system, Automatic TLI Recognition System, General Description, and a user`s manual, Automatic TLI Recognition System, User`s Guide. 2 refs.

  5. Berkeley Lab Climate Software Honored for Pattern Recognition Advances

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

    Climate Software Honored for Pattern Recognition Advances Berkeley Lab Climate Software Honored for Pattern Recognition Advances September 17, 2015 Contact: Kathy Kincade, +1 510 495 2124, kkincade@lbl.gov The Toolkit for Extreme Climate Analysis (TECA), developed at Lawrence Berkeley National Laboratory to help climate researchers detect extreme weather events in large datasets, has been recognized for its achievements in solving large-scale pattern recognition problems. "TECA: Petascale

  6. Protein Structure Recognition: From Eigenvector Analysis to Structural...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results ThesisDissertation: Protein Structure Recognition: From ... include the domain partition and a new structural threading method as well as ...

  7. WPN 03-5: Weatherization Assistance Program National Recognition Awards

    Broader source: Energy.gov [DOE]

    To provide criteria and guidelines for the Weatherization Assistance Program's National Recognition Awards being presented at the 2003 National Weatherization Training Conference in Phoenix, Arizona.

  8. New Mexico Image Recognition Startup Spun Off From A Government...

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

    Image Recognition Startup Spun Off From A Government Lab Far from Silicon Valley, Descartes Labs aims to turn a national research facility's AI research into new ways of...

  9. Y-12 Steam Plant Project Received National Recognition for Project...

    National Nuclear Security Administration (NNSA)

    Steam Plant Project Received National Recognition for Project Management Excellence | National Nuclear Security Administration Facebook Twitter Youtube Flickr RSS People Mission ...

  10. Fast Company covers "Just Your Typical New Mexico Image Recognition...

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

    Fast Company covers "Just Your Typical New Mexico Image Recognition Startup Spun Off From A ... covers new technique that may make solar panel production less expensive The ...

  11. Cooperative control of vehicle swarms for acoustic target recognition...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Cooperative control of vehicle swarms for acoustic target recognition by energy flows. Citation Details In-Document Search Title: Cooperative control of vehicle ...

  12. Y-12 Steam Plant Project Received National Recognition for Project

    National Nuclear Security Administration (NNSA)

    Management Excellence | National Nuclear Security Administration Steam Plant Project Received National Recognition for Project Management Excellence March 23, 2011 Y-12 steam plant project receives national recognition for project management excellence. Y-12's Steam Plant Life Extension Project (SPLE) has received the Secretary of Energy's Project Management Improvement Award. Microsoft Office document icon NR-03-28.doc

  13. Quantification of the transferability of a designed protein specificity switch reveals extensive epistasis in molecular recognition

    SciTech Connect (OSTI)

    Melero, Cristina; Ollikainen, Noah; Harwood, Ian; Karpiak, Joel; Kortemme, Tanja

    2014-10-13

    Re-engineering proteinprotein recognition is an important route to dissecting and controlling complex interaction networks. Experimental approaches have used the strategy of second-site suppressors, where a functional interaction is inferred between two proteins if a mutation in one protein can be compensated by a mutation in the second. Mimicking this strategy, computational design has been applied successfully to change protein recognition specificity by predicting such sets of compensatory mutations in proteinprotein interfaces. To extend this approach, it would be advantageous to be able to transplant existing engineered and experimentally validated specificity changes to other homologous proteinprotein complexes. Here, we test this strategy by designing a pair of mutations that modulates peptide recognition specificity in the Syntrophin PDZ domain, confirming the designed interaction biochemically and structurally, and then transplanting the mutations into the context of five related PDZ domainpeptide complexes. We find a wide range of energetic effects of identical mutations in structurally similar positions, revealing a dramatic context dependence (epistasis) of designed mutations in homologous proteinprotein interactions. To better understand the structural basis of this context dependence, we apply a structure-based computational model that recapitulates these energetic effects and we use this model to make and validate forward predictions. The context dependence of these mutations is captured by computational predictions, our results both highlight the considerable difficulties in designing proteinprotein interactions and provide challenging benchmark cases for the development of improved protein modeling and design methods that accurately account for the context.

  14. Quantification of the transferability of a designed protein specificity switch reveals extensive epistasis in molecular recognition

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

    Melero, Cristina; Ollikainen, Noah; Harwood, Ian; Karpiak, Joel; Kortemme, Tanja

    2014-10-13

    Re-engineering protein–protein recognition is an important route to dissecting and controlling complex interaction networks. Experimental approaches have used the strategy of “second-site suppressors,” where a functional interaction is inferred between two proteins if a mutation in one protein can be compensated by a mutation in the second. Mimicking this strategy, computational design has been applied successfully to change protein recognition specificity by predicting such sets of compensatory mutations in protein–protein interfaces. To extend this approach, it would be advantageous to be able to “transplant” existing engineered and experimentally validated specificity changes to other homologous protein–protein complexes. Here, we test thismore » strategy by designing a pair of mutations that modulates peptide recognition specificity in the Syntrophin PDZ domain, confirming the designed interaction biochemically and structurally, and then transplanting the mutations into the context of five related PDZ domain–peptide complexes. We find a wide range of energetic effects of identical mutations in structurally similar positions, revealing a dramatic context dependence (epistasis) of designed mutations in homologous protein–protein interactions. To better understand the structural basis of this context dependence, we apply a structure-based computational model that recapitulates these energetic effects and we use this model to make and validate forward predictions. The context dependence of these mutations is captured by computational predictions, our results both highlight the considerable difficulties in designing protein–protein interactions and provide challenging benchmark cases for the development of improved protein modeling and design methods that accurately account for the context.« less

  15. Substrate Recognition Strategy for Botulinum Neurotoxin Serotype...

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

    Nature 359, 832-835 (1992). Chen, Y. A., Scales, S. J., Patel, S. M., Doung, Y. C. & Scheller, R. H. SNARE complex formation is triggered by Ca2+ and drives membrane fusion. Cell...

  16. albuquerque complex | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    albuquerque complex

  17. Automatic target recognition apparatus and method

    DOE Patents [OSTI]

    Baumgart, Chris W. (Santa Fe, NM); Ciarcia, Christopher A. (Los Alamos, NM)

    2000-01-01

    An automatic target recognition apparatus (10) is provided, having a video camera/digitizer (12) for producing a digitized image signal (20) representing an image containing therein objects which objects are to be recognized if they meet predefined criteria. The digitized image signal (20) is processed within a video analysis subroutine (22) residing in a computer (14) in a plurality of parallel analysis chains such that the objects are presumed to be lighter in shading than the background in the image in three of the chains and further such that the objects are presumed to be darker than the background in the other three chains. In two of the chains the objects are defined by surface texture analysis using texture filter operations. In another two of the chains the objects are defined by background subtraction operations. In yet another two of the chains the objects are defined by edge enhancement processes. In each of the analysis chains a calculation operation independently determines an error factor relating to the probability that the objects are of the type which should be recognized, and a probability calculation operation combines the results of the analysis chains.

  18. Natural micropolymorphism in human leukocyte antigens provides a basis for genetic control of antigen recognition

    SciTech Connect (OSTI)

    Archbold, Julia K.; Macdonald, Whitney A.; Gras, Stephanie; Ely, Lauren K.; Miles, John J.; Bell, Melissa J.; Brennan, Rebekah M.; Beddoe, Travis; Wilce, Matthew C.J.; Clements, Craig S.; Purcell, Anthony W.; McCluskey, James; Burrows, Scott R.; Rossjohn, Jamie

    2009-07-10

    Human leukocyte antigen (HLA) gene polymorphism plays a critical role in protective immunity, disease susceptibility, autoimmunity, and drug hypersensitivity, yet the basis of how HLA polymorphism influences T cell receptor (TCR) recognition is unclear. We examined how a natural micropolymorphism in HLA-B44, an important and large HLA allelic family, affected antigen recognition. T cell-mediated immunity to an Epstein-Barr virus determinant (EENLLDFVRF) is enhanced when HLA-B*4405 was the presenting allotype compared with HLA-B*4402 or HLA-B*4403, each of which differ by just one amino acid. The micropolymorphism in these HLA-B44 allotypes altered the mode of binding and dynamics of the bound viral epitope. The structure of the TCR-HLA-B*4405EENLLDFVRF complex revealed that peptide flexibility was a critical parameter in enabling preferential engagement with HLA-B*4405 in comparison to HLA-B*4402/03. Accordingly, major histocompatibility complex (MHC) polymorphism can alter the dynamics of the peptide-MHC landscape, resulting in fine-tuning of T cell responses between closely related allotypes.

  19. Deconstructing the Peptide-MHC Specificity of T Cell Recognition...

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

    Deconstructing the Peptide-MHC Specificity of T Cell Recognition Saturday, May 31, 2014 T Cell Figure Figure 1. Overlay of TCR-pMHC structures for 2B4 recognizing MCC (PDB ID: ...

  20. Visual cluster analysis and pattern recognition template and methods

    DOE Patents [OSTI]

    Osbourn, G.C.; Martinez, R.F.

    1999-05-04

    A method of clustering using a novel template to define a region of influence is disclosed. Using neighboring approximation methods, computation times can be significantly reduced. The template and method are applicable and improve pattern recognition techniques. 30 figs.

  1. Visual cluster analysis and pattern recognition template and methods

    DOE Patents [OSTI]

    Osbourn, Gordon Cecil; Martinez, Rubel Francisco

    1999-01-01

    A method of clustering using a novel template to define a region of influence. Using neighboring approximation methods, computation times can be significantly reduced. The template and method are applicable and improve pattern recognition techniques.

  2. Pattern Recognition and Image Analysis in Materials | GE Global...

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

    in new window) Pattern Recognition and Image Analysis in Materials Jim Grande 2012.09.25 Hi I'm Jim Grande and I've been working at GE Global Research in Niskayuna for over 33...

  3. WIPP Environmental Initiatives Earn DOE Recognition

    Broader source: Energy.gov [DOE]

    CARLSBAD, N.M., October 29, 2012 – The U.S. Department of Energy (DOE) recently recognized four initiatives at the Waste Isolation Pilot Plant (WIPP) and more than 20 people for improvements in energy, water and fleet efficiency while reducing pollution and waste across the DOE complex.

  4. Structural basis for biomolecular recognition in overlapping binding sites

    Office of Scientific and Technical Information (OSTI)

    in a diiron enzyme system (Journal Article) | SciTech Connect Structural basis for biomolecular recognition in overlapping binding sites in a diiron enzyme system Citation Details In-Document Search Title: Structural basis for biomolecular recognition in overlapping binding sites in a diiron enzyme system Authors: Acheson, Justin F. ; Bailey, Lucas J. ; Elsen, Nathaniel L. ; Fox, Brian G. [1] + Show Author Affiliations UW Publication Date: 2016-01-22 OSTI Identifier: 1229904 Resource Type:

  5. DOE Headquarters Receives Energy Star Recognition from EPA | Department of

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

    Energy Headquarters Receives Energy Star Recognition from EPA DOE Headquarters Receives Energy Star Recognition from EPA July 9, 2008 - 2:15pm Addthis WASHINGTON - U.S. Secretary of Energy Samuel W. Bodman today accepted a plaque from the U.S. Environmental Protection Agency (EPA) certifying the Department of Energy's (DOE) James Forrestal Headquarters Building as an ENERGY STAR® building. The Forrestal building uses 40 percent less energy than the average office building, saving taxpayers

  6. Protein Structure Recognition: From Eigenvector Analysis to Structural

    Office of Scientific and Technical Information (OSTI)

    Threading Method (Thesis/Dissertation) | SciTech Connect SciTech Connect Search Results Thesis/Dissertation: Protein Structure Recognition: From Eigenvector Analysis to Structural Threading Method Citation Details In-Document Search Title: Protein Structure Recognition: From Eigenvector Analysis to Structural Threading Method In this work, they try to understand the protein folding problem using pair-wise hydrophobic interaction as the dominant interaction for the protein folding process.

  7. Cooperative control of vehicle swarms for acoustic target recognition by

    Office of Scientific and Technical Information (OSTI)

    energy flows. (Journal Article) | SciTech Connect Journal Article: Cooperative control of vehicle swarms for acoustic target recognition by energy flows. Citation Details In-Document Search Title: Cooperative control of vehicle swarms for acoustic target recognition by energy flows. Authors: Eisler, Gerald Richard ; Dohner, Jeffrey Lynn ; Hurtado, John Edward [1] ; Driessen, Brian James [2] + Show Author Affiliations (Texas A&M University, College Station, TX) (University of Alabama,

  8. Helping New Mexico small businesses earns recognition for Los Alamos

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

    National Lab employees Helping NM small businesses earns recognition for employees Helping New Mexico small businesses earns recognition for Los Alamos National Lab employees Don Quintana and Pulak Nath were recognized in an awards ceremony for providing their technical expertise and access to lab capabilities to help small businesses through the New Mexico Small Business Assistance Program. November 10, 2015 Don Quintana (left) and Pulak Nath (right) after winning their Principal

  9. Searching for pulsars using image pattern recognition

    SciTech Connect (OSTI)

    Zhu, W. W.; Berndsen, A.; Madsen, E. C.; Tan, M.; Stairs, I. H.; Brazier, A.; Lazarus, P.; Lynch, R.; Scholz, P.; Stovall, K.; Cohen, S.; Dartez, L. P.; Lunsford, G.; Martinez, J. G.; Mata, A.; Ransom, S. M.; Banaszak, S.; Biwer, C. M.; Flanigan, J.; Rohr, M. E-mail: berndsen@phas.ubc.ca; and others

    2014-02-01

    In the modern era of big data, many fields of astronomy are generating huge volumes of data, the analysis of which can sometimes be the limiting factor in research. Fortunately, computer scientists have developed powerful data-mining techniques that can be applied to various fields. In this paper, we present a novel artificial intelligence (AI) program that identifies pulsars from recent surveys by using image pattern recognition with deep neural nets—the PICS (Pulsar Image-based Classification System) AI. The AI mimics human experts and distinguishes pulsars from noise and interference by looking for patterns from candidate plots. Different from other pulsar selection programs that search for expected patterns, the PICS AI is taught the salient features of different pulsars from a set of human-labeled candidates through machine learning. The training candidates are collected from the Pulsar Arecibo L-band Feed Array (PALFA) survey. The information from each pulsar candidate is synthesized in four diagnostic plots, which consist of image data with up to thousands of pixels. The AI takes these data from each candidate as its input and uses thousands of such candidates to train its ∼9000 neurons. The deep neural networks in this AI system grant it superior ability to recognize various types of pulsars as well as their harmonic signals. The trained AI's performance has been validated with a large set of candidates from a different pulsar survey, the Green Bank North Celestial Cap survey. In this completely independent test, the PICS ranked 264 out of 277 pulsar-related candidates, including all 56 previously known pulsars and 208 of their harmonics, in the top 961 (1%) of 90,008 test candidates, missing only 13 harmonics. The first non-pulsar candidate appears at rank 187, following 45 pulsars and 141 harmonics. In other words, 100% of the pulsars were ranked in the top 1% of all candidates, while 80% were ranked higher than any noise or interference. The performance of this system can be improved over time as more training data are accumulated. This AI system has been integrated into the PALFA survey pipeline and has discovered six new pulsars to date.

  10. MicroChip Imager Module for Recognition of Microorganisms

    Energy Science and Technology Software Center (OSTI)

    2001-01-01

    The MicroChip Reader for Cereus Group takes the table of intensities of hybridization signals produced by the MicroChip Imager software and evokes a series of steps designed to recognize the pattern of intensities specific to a particular Cereus subgroup. Seven subgroups of the Cereus group can be identified by particular features of their RNA sequence. The Reader also provides statistics documenting how well its conclusion is confirmed by the hybridization signals. At the user’s request,more » the Reader can list every recognition step utilized so that the user can verify the recognition process manually if desired.« less

  11. Detection and recognition of analytes based on their crystallization patterns

    DOE Patents [OSTI]

    Morozov, Victor; Bailey, Charles L.; Vsevolodov, Nikolai N.; Elliott, Adam

    2008-05-06

    The invention contemplates a method for recognition of proteins and other biological molecules by imaging morphology, size and distribution of crystalline and amorphous dry residues in droplets (further referred to as "crystallization pattern") containing predetermined amount of certain crystal-forming organic compounds (reporters) to which protein to be analyzed is added. It has been shown that changes in the crystallization patterns of a number of amino-acids can be used as a "signature" of a protein added. It was also found that both the character of changer in the crystallization patter and the fact of such changes can be used as recognition elements in analysis of protein molecules.

  12. WPN 05-6: Weatherization Assistance Program National Recognition Awards

    Broader source: Energy.gov [DOE]

    To provide criteria and guidelines for the Weatherization Assistance Program’s National Recognition Awards being presented at the 2005 National Weatherization Training Conference in New Orleans, Louisiana. These awards acknowledge outstanding contributions that advance the goals of WAP through individual or group achievement, inspiration, or innovation.

  13. MSU student researcher gets major recognition with JLab assistantship

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

    (Mississippi State University) | Jefferson Lab MSU student researcher gets major recognition with JLab assistantship (Mississippi State University) External Link: http://www.msstate.edu/web/media/detail.php?id=5607 By jlab_admin on Mon, 2012-06-1

  14. Oligocyclopentadienyl transition metal complexes

    SciTech Connect (OSTI)

    de Azevedo, Cristina G.; Vollhardt, K. Peter C.

    2002-01-18

    Synthesis, characterization, and reactivity studies of oligocyclopentadienyl transition metal complexes, namely those of fulvalene, tercyclopentadienyl, quatercyclopentadienyl, and pentacyclopentadienyl(cyclopentadienyl) are the subject of this account. Thermal-, photo-, and redox chemistries of homo- and heteropolynuclear complexes are described.

  15. Idaho National Laboratory receives national recognition for Small Business

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

    Mentoring Program DOE-ID Tim Jackson, 208-526-8484 INL Misty Benjamin, 208-526-5940 Idaho National Laboratory receives national recognition for Small Business Mentoring Program IDAHO FALLS � The U.S. Department of Energy recognized Idaho National Laboratory as the 2009 Mentor of the Year for its commitment to mentoring small businesses. The DOE Mentor of the Year recognizes INL's Mentor-Prot�g� Program for enhancing the capabilities of small businesses to perform contracts and

  16. Antibody Recognition of the Influenza Hemagglutinin by Receptor Mimicry |

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

    Stanford Synchrotron Radiation Lightsource Antibody Recognition of the Influenza Hemagglutinin by Receptor Mimicry Sunday, November 30, 2014 There has been a long-standing interest in blocking agents against influenza entry, such as inhibitors that can target the receptor binding site on the hemagglutinin surface glycoprotein (HA) to prevent viral attachment to host cells. Molecules have been designed based on the sialic acid receptor, although with very little success since sialic acid only

  17. Conditional random fields for pattern recognition applied to structured data

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

    Burr, Tom; Skurikhin, Alexei

    2015-07-14

    Pattern recognition uses measurements from an input domain, X, to predict their labels from an output domain, Y. Image analysis is one setting where one might want to infer whether a pixel patch contains an object that is “manmade” (such as a building) or “natural” (such as a tree). Suppose the label for a pixel patch is “manmade”; if the label for a nearby pixel patch is then more likely to be “manmade” there is structure in the output domain that can be exploited to improve pattern recognition performance. Modeling P(X) is difficult because features between parts of the modelmore » are often correlated. Therefore, conditional random fields (CRFs) model structured data using the conditional distribution P(Y|X = x), without specifying a model for P(X), and are well suited for applications with dependent features. This paper has two parts. First, we overview CRFs and their application to pattern recognition in structured problems. Our primary examples are image analysis applications in which there is dependence among samples (pixel patches) in the output domain. Second, we identify research topics and present numerical examples.« less

  18. Conditional random fields for pattern recognition applied to structured data

    SciTech Connect (OSTI)

    Burr, Tom; Skurikhin, Alexei

    2015-07-14

    Pattern recognition uses measurements from an input domain, X, to predict their labels from an output domain, Y. Image analysis is one setting where one might want to infer whether a pixel patch contains an object that is manmade (such as a building) or natural (such as a tree). Suppose the label for a pixel patch is manmade; if the label for a nearby pixel patch is then more likely to be manmade there is structure in the output domain that can be exploited to improve pattern recognition performance. Modeling P(X) is difficult because features between parts of the model are often correlated. Therefore, conditional random fields (CRFs) model structured data using the conditional distribution P(Y|X = x), without specifying a model for P(X), and are well suited for applications with dependent features. This paper has two parts. First, we overview CRFs and their application to pattern recognition in structured problems. Our primary examples are image analysis applications in which there is dependence among samples (pixel patches) in the output domain. Second, we identify research topics and present numerical examples.

  19. Structural Basis for Ligand Recognition and Discrimination of a Quorum-quenching Antibody

    SciTech Connect (OSTI)

    Kirchdoerfer, Robert N.; Garner, Amanda L.; Flack, Caralyn E.; Mee, Jenny M.; Horswill, Alexander R.; Janda, Kim D.; Kaufmann, Gunnar F.; Wilson, Ian A.

    2011-09-16

    In the postantibiotic era, available treatment options for severe bacterial infections caused by methicillin-resistant Staphylococcus aureus have become limited. Therefore, new and innovative approaches are needed to combat such life-threatening infections. Virulence factor expression in S. aureus is regulated in a cell density-dependent manner using 'quorum sensing,' which involves generation and secretion of autoinducing peptides (AIPs) into the surrounding environment to activate a bacterial sensor kinase at a particular threshold concentration. Mouse monoclonal antibody AP4-24H11 was shown previously to blunt quorum sensing-mediated changes in gene expression in vitro and protect mice from a lethal dose of S. aureus by sequestering the AIP signal. We have elucidated the crystal structure of the AP4-24H11 Fab in complex with AIP-4 at 2.5 {angstrom} resolution to determine its mechanism of ligand recognition. A key GluH95 provides much of the binding specificity through formation of hydrogen bonds with each of the four amide nitrogens in the AIP-4 macrocyclic ring. Importantly, these structural data give clues as to the interactions between the cognate staphylococcal AIP receptors AgrC and the AIPs, as AP4-24H11 {center_dot} AIP-4 binding recapitulates features that have been proposed for AgrC-AIP recognition. Additionally, these structural insights may enable the engineering of AIP cross-reactive antibodies or quorum quenching vaccines for use in active or passive immunotherapy for prevention or treatment of S. aureus infections.

  20. Health monitoring display system for a complex plant

    DOE Patents [OSTI]

    Ridolfo, Charles F.; Harmon, Daryl L.; Colin, Dreyfuss

    2006-08-08

    A single page enterprise wide level display provides a comprehensive readily understood representation of the overall health status of a complex plant. Color coded failure domains allow rapid intuitive recognition of component failure status. A three-tier hierarchy of displays provide details on the health status of the components and systems displayed on the enterprise wide level display in a manner that supports a logical drill down to the health status of sub-components on Tier 1 to expected faults of the sub-components on Tier 2 to specific information relative to expected sub-component failures on Tier 3.

  1. DNA-Binding Mechanism in Prokaryotic Partition Complex Formation

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

    DNA Duplication Revealed in New Beginnings DNA Duplication Revealed in New Beginnings April 3, 2012 - 9:36am Addthis The DNA replication origin recognition complex (ORC) is a six-protein machine with a slightly twisted half-ring structure (yellow). ORC is proposed to wrap around and bend approximately 70 base pairs of double stranded DNA (red and blue). When a replication initiator Cdc6 (green) joins ORC, the partial ring is now complete and ready to load another protein onto the DNA. This last

  2. Space-time complexity in solid state models

    SciTech Connect (OSTI)

    Bishop, A.R.

    1985-01-01

    In this Workshop on symmetry-breaking it is appropriate to include the evolving fields of nonlinear-nonequilibrium systems in which transitions to and between various degrees of ''complexity'' (including ''chaos'') occur in time or space or both. These notions naturally bring together phenomena of pattern formation and chaos and therefore have ramifications for a huge array of natural sciences - astrophysics, plasmas and lasers, hydrodynamics, field theory, materials and solid state theory, optics and electronics, biology, pattern recognition and evolution, etc. Our particular concerns here are with examples from solid state and condensed matter.

  3. U1A Complex

    ScienceCinema (OSTI)

    None

    2015-01-09

    Some of the most sophisticated experiments in the stockpile stewardship program are conducted in an environmentally safe manner, nearly 1000 feet below the ground at the site. The U1a complex a sprawling underground laboratory and tunnel complex is home to a number of unique capabilities.

  4. Proposal for the development of 3D Vertically Integrated Pattern Recognition Associative Memory (VIPRAM)

    SciTech Connect (OSTI)

    Deptuch, Gregory; Hoff, Jim; Kwan, Simon; Lipton, Ron; Liu, Ted; Ramberg, Erik; Todri, Aida; Yarema, Ray; Demarteua, Marcel,; Drake, Gary; Weerts, Harry; /Argonne /Chicago U. /Padua U. /INFN, Padua

    2010-10-01

    Future particle physics experiments looking for rare processes will have no choice but to address the demanding challenges of fast pattern recognition in triggering as detector hit density becomes significantly higher due to the high luminosity required to produce the rare process. The authors propose to develop a 3D Vertically Integrated Pattern Recognition Associative Memory (VIPRAM) chip for HEP applications, to advance the state-of-the-art for pattern recognition and track reconstruction for fast triggering.

  5. Electrochemical Behavior of Disposable Electrodes Prepared by Ion Beam Based Surface Modification for Biomolecular Recognition

    SciTech Connect (OSTI)

    Erdem, A.; Karadeniz, H.; Caliskan, A.; Urkac, E. Sokullu; Oztarhan, A.; Oks, E.; Nikolayev, A.

    2009-03-10

    Many important technological advances have been made in the development of technologies to monitor interactions and recognition events of biomolecules in solution and on solid substrates. The development of advanced biosensors could impact significantly the areas of genomics, proteomics, biomedical diagnostics and drug discovery. In the literature, there have recently appeared an impressive number of intensive designs for electrochemical monitoring of biomolecular recognition. Herein, the influence of ion implanted disposable graphite electrodes on biomolecular recognition and their electrochemical behaviour was investigated.

  6. Volume Decomposition and Feature Recognition for Hexahedral Mesh Generation

    SciTech Connect (OSTI)

    GADH,RAJIT; LU,YONG; TAUTGES,TIMOTHY J.

    1999-09-27

    Considerable progress has been made on automatic hexahedral mesh generation in recent years. Several automatic meshing algorithms have proven to be very reliable on certain classes of geometry. While it is always worth pursuing general algorithms viable on more general geometry, a combination of the well-established algorithms is ready to take on classes of complicated geometry. By partitioning the entire geometry into meshable pieces matched with appropriate meshing algorithm the original geometry becomes meshable and may achieve better mesh quality. Each meshable portion is recognized as a meshing feature. This paper, which is a part of the feature based meshing methodology, presents the work on shape recognition and volume decomposition to automatically decompose a CAD model into meshable volumes. There are four phases in this approach: (1) Feature Determination to extinct decomposition features, (2) Cutting Surfaces Generation to form the ''tailored'' cutting surfaces, (3) Body Decomposition to get the imprinted volumes; and (4) Meshing Algorithm Assignment to match volumes decomposed with appropriate meshing algorithms. The feature determination procedure is based on the CLoop feature recognition algorithm that is extended to be more general. Results are demonstrated over several parts with complicated topology and geometry.

  7. Sales and Value Recognition for Zero Energy Ready Home Webinar (Text Version)

    Broader source: Energy.gov [DOE]

    Below is the text version of the webinar, Sales and Value Recognition for Zero Energy Ready Home, presented in December 2014. Watch the presentation.

  8. Face recognition system and method using face pattern words and face pattern bytes

    DOE Patents [OSTI]

    Zheng, Yufeng

    2014-12-23

    The present invention provides a novel system and method for identifying individuals and for face recognition utilizing facial features for face identification. The system and method of the invention comprise creating facial features or face patterns called face pattern words and face pattern bytes for face identification. The invention also provides for pattern recognitions for identification other than face recognition. The invention further provides a means for identifying individuals based on visible and/or thermal images of those individuals by utilizing computer software implemented by instructions on a computer or computer system and a computer readable medium containing instructions on a computer system for face recognition and identification.

  9. Idaho National Laboratory receives national recognition for Small...

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

    week by injecting grout into 21 buried waste locations in the Subsurface Disposal Area (SDA) of the Radioactive Waste Management Complex (RWMC) at the Department of Energys...

  10. Genome-Wide Identification and 3D Modeling of Proteins involved in DNA Damage Recognition and Repair (Final Report)

    SciTech Connect (OSTI)

    Ruben A. Abagyan, PhD

    2004-04-15

    OAK-B135 DNA Damage Recognition and Repair (DDR and R) proteins play a critical role in cellular responses to low-dose radiation and are associated with cancer. the authors have performed a systematic, genome-wide computational analysis of genomic data for human genes involved in the DDR and R process. The significant achievements of this project include: (1) Construction of the computational pipeline for searching DDR and R genes, building and validation of 3D models of proteins involved in DDR and R; (2) Functional and structural annotation of the 3D models and generation of comprehensive lists of suggested knock-out mutations; (3) Important improvement of macromolecular docking technology and its application to predict the DNA-Protein complex conformation; (4) Development of a new algorithm for improved analysis of high-density oligonucleotide arrays for gene expression profiling; (5) Construction and maintenance of the DNA Damage Recognition and Repair Database; and (6) Producing 14 research papers (10 published and 4 in preparation).

  11. Complex Flow Workshop Report

    SciTech Connect (OSTI)

    none,

    2012-05-01

    This report documents findings from a workshop on the impacts of complex wind flows in and out of wind turbine environments, the research needs, and the challenges of meteorological and engineering modeling at regional, wind plant, and wind turbine scales.

  12. Complex/Symplectic Mirrors

    SciTech Connect (OSTI)

    Chuang, Wu-yen; Kachru, Shamit; Tomasiello, Alessandro; /Stanford U., ITP

    2005-10-28

    We construct a class of symplectic non-Kaehler and complex non-Kaehler string theory vacua, extending and providing evidence for an earlier suggestion by Polchinski and Strominger. The class admits a mirror pairing by construction. Comparing hints from a variety of sources, including ten-dimensional supergravity and KK reduction on SU(3)-structure manifolds, suggests a picture in which string theory extends Reid's fantasy to connect classes of both complex non-Kaehler and symplectic non-Kaehler manifolds.

  13. Conformational Melding Permits a Conserved Binding Geometry in TCR Recognition of Foreign and Self Molecular Mimics

    SciTech Connect (OSTI)

    Borbulevych, Oleg Y.; Piepenbrink, Kurt H.; Baker, Brian M.

    2012-03-16

    Molecular mimicry between foreign and self Ags is a mechanism of TCR cross-reactivity and is thought to contribute to the development of autoimmunity. The {alpha}{beta} TCR A6 recognizes the foreign Ag Tax from the human T cell leukemia virus-1 when presented by the class I MHC HLA-A2. In a possible link with the autoimmune disease human T cell leukemia virus-1-associated myelopathy/tropical spastic paraparesis, A6 also recognizes a self peptide from the neuronal protein HuD in the context of HLA-A2. We found in our study that the complexes of the HuD and Tax epitopes with HLA-A2 are close but imperfect structural mimics and that in contrast with other recent structures of TCRs with self Ags, A6 engages the HuD Ag with the same traditional binding mode used to engage Tax. Although peptide and MHC conformational changes are needed for recognition of HuD but not Tax and the difference of a single hydroxyl triggers an altered TCR loop conformation, TCR affinity toward HuD is still within the range believed to result in negative selection. Probing further, we found that the HuD-HLA-A2 complex is only weakly stable. Overall, these findings help clarify how molecular mimicry can drive self/nonself cross-reactivity and illustrate how low peptide-MHC stability can permit the survival of T cells expressing self-reactive TCRs that nonetheless bind with a traditional binding mode.

  14. Speech coding, reconstruction and recognition using acoustics and electromagnetic waves

    DOE Patents [OSTI]

    Holzrichter, J.F.; Ng, L.C.

    1998-03-17

    The use of EM radiation in conjunction with simultaneously recorded acoustic speech information enables a complete mathematical coding of acoustic speech. The methods include the forming of a feature vector for each pitch period of voiced speech and the forming of feature vectors for each time frame of unvoiced, as well as for combined voiced and unvoiced speech. The methods include how to deconvolve the speech excitation function from the acoustic speech output to describe the transfer function each time frame. The formation of feature vectors defining all acoustic speech units over well defined time frames can be used for purposes of speech coding, speech compression, speaker identification, language-of-speech identification, speech recognition, speech synthesis, speech translation, speech telephony, and speech teaching. 35 figs.

  15. Speech coding, reconstruction and recognition using acoustics and electromagnetic waves

    DOE Patents [OSTI]

    Holzrichter, John F.; Ng, Lawrence C.

    1998-01-01

    The use of EM radiation in conjunction with simultaneously recorded acoustic speech information enables a complete mathematical coding of acoustic speech. The methods include the forming of a feature vector for each pitch period of voiced speech and the forming of feature vectors for each time frame of unvoiced, as well as for combined voiced and unvoiced speech. The methods include how to deconvolve the speech excitation function from the acoustic speech output to describe the transfer function each time frame. The formation of feature vectors defining all acoustic speech units over well defined time frames can be used for purposes of speech coding, speech compression, speaker identification, language-of-speech identification, speech recognition, speech synthesis, speech translation, speech telephony, and speech teaching.

  16. Hydridomethyl iridium complex

    DOE Patents [OSTI]

    Bergman, Robert G.; Buchanan, J. Michael; Stryker, Jeffrey M.; Wax, Michael J.

    1989-01-01

    A process for functionalizing methane comprising: (a) reacting methane with a hydridoalkyl metal complex of the formula: CpIr[P(R.sub.1).sub.3 ]H(R.sub.2) wherein Cp represents a cyclopentadienyl or alkylcyclopentadienyl radical having from 1 to 5 carbon atoms; Ir represents an iridium atom; P represents a phosphorus atom; R.sub.1 represents an alkyl group; R.sub.2 represents an alkyl group having at least two carbon atoms; and H represents a hydrogen atom, in the presence of a liquid alkane R.sub.3 H having at least three carbon atoms to form a hydridomethyl complex of the formula: CpIr[P(R.sub.1).sub.3 ]HMe where Me represents a methyl radical. (b) reacting said hydridomethyl complex with an organic halogenating agent such as a tetrahalomethane or a haloform of the formulas: CX'X"X'"X"" or CHX'X"X'"; wherein X', X", X"', and X"" represent halogens selected from bromine, iodine and chlorine, to halomethyl complex of step (a) having the formula: CpIr[P(R.sub.1).sub.3 ]MeX: (c) reacting said halomethyl complex with a mercuric halide of the formula HgX.sub.2 to form a methyl mercuric halide of the formula HgMeX; and (d) reacting said methyl mercuric halide with a molecular halogen of the formula X.sub.2 to form methyl halide.

  17. Hot Cell Complex Building

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

    2 Hot Cell Complex Building Engineering Contract (REVISED) Call for Nomination It is important to note that participation in this tender process will NOT cause a conflict of interest (and hence exclusion) regarding further tenders relating to the Hot Cell Building Complex. This current tender is essentially for a Conceptual Design only. 1 Purpose ITER is a first of a kind mega-project with a wide range of disparate leading edge/high-tech systems to be assembled and installed into buildings at

  18. Luminescent macrocyclic lanthanide complexes

    DOE Patents [OSTI]

    Raymond, Kenneth N; Corneillie, Todd M; Xu, Jide

    2014-05-20

    The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds incorporate hydroxy-isophthalamide moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability. These characteristics distinguish them from known, open-structured ligands.

  19. Luminescent macrocyclic lanthanide complexes

    DOE Patents [OSTI]

    Raymond, Kenneth N.; Corneillie, Todd M.; Xu, Jide

    2012-05-08

    The present invention provides a novel class of macrocyclic compounds as well as complexes formed between a metal (e.g., lanthanide) ion and the compounds of the invention. Preferred complexes exhibit high stability as well as high quantum yields of lanthanide ion luminescence in aqueous media without the need for secondary activating agents. Preferred compounds incorporate hydroxy-isophthalamide moieties within their macrocyclic structure and are characterized by surprisingly low, non-specific binding to a variety of polypeptides such as antibodies and proteins as well as high kinetic stability. These characteristics distinguish them from known, open-structured ligands.

  20. Subtle Changes in Peptide Conformation Profoundly Affect Recognition of the Non-Classical MHC Class I Molecule HLA-E by the CD94?NKG2 Natural Killer Cell Receptors

    SciTech Connect (OSTI)

    Hoare, Hilary L.; Sullivan, Lucy C.; Clements, Craig S.; Ely, Lauren K.; Beddoe, Travis; Henderson, Kate N.; Lin, Jie; Reid, Hugh H.; Brooks, Andrew G.; Rossjohn, Jamie

    2008-03-31

    Human leukocyte antigen (HLA)-E is a non-classical major histocompatibility complex class I molecule that binds peptides derived from the leader sequences of other HLA class I molecules. Natural killer cell recognition of these HLA-E molecules, via the CD94-NKG2 natural killer family, represents a central innate mechanism for monitoring major histocompatibility complex expression levels within a cell. The leader sequence-derived peptides bound to HLA-E exhibit very limited polymorphism, yet subtle differences affect the recognition of HLA-E by the CD94-NKG2 receptors. To better understand the basis for this peptide-specific recognition, we determined the structure of HLA-E in complex with two leader peptides, namely, HLA-Cw*07 (VMAPRALLL), which is poorly recognised by CD94-NKG2 receptors, and HLA-G*01 (VMAPRTLFL), a high-affinity ligand of CD94-NKG2 receptors. A comparison of these structures, both of which were determined to 2.5-{angstrom} resolution, revealed that allotypic variations in the bound leader sequences do not result in conformational changes in the HLA-E heavy chain, although subtle changes in the conformation of the peptide within the binding groove of HLA-E were evident. Accordingly, our data indicate that the CD94-NKG2 receptors interact with HLA-E in a manner that maximises the ability of the receptors to discriminate between subtle changes in both the sequence and conformation of peptides bound to HLA-E.

  1. New Mexico Image Recognition Startup Spun Off From A Government Lab"

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

    Company covers "Just Your Typical New Mexico Image Recognition Startup Spun Off From A Government Lab" July 30, 2015 Just Your Typical New Mexico Image Recognition Startup Spun Off From A Government Lab Far from Silicon Valley, Descartes Labs aims to turn a national research facility's AI research into new ways of understanding the world...The company in question is Descartes Labs, and there's a very good reason why it's in Los Alamos. It aims to commercialize image-recognition

  2. DOE Challenge Home Gaining Recognition as a Leader Webinar (Text Version) |

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

    Department of Energy DOE Challenge Home Gaining Recognition as a Leader Webinar (Text Version) DOE Challenge Home Gaining Recognition as a Leader Webinar (Text Version) Below is a text version of the webinar titled "Gaining Recognition as a Leader," originally presented in May 2013. In addition to this text version of the audio, you can access a recording of the webinar. Sam Rashkin: Slide 1: This is about the DOE Challenge Home as a way for builders to be recognized a leader.

  3. Cyclodextrin supramolecular assemblies: Energy migration prompted by molecular recognition

    SciTech Connect (OSTI)

    Pikramenou, Z.; Nocera, D.G.

    1993-12-31

    New photoactive supramolecular assemblies featuring a cyclodextrin modified with a Eu{sup 3+}{contained_in}aza crown ether have been synthesized. The inclusion of a light harvesting guest (LHG) in the cyclodextrin is heralded by light emission for the Eu{sup 3+} center. The authors attribute the enhancement of the europium emission to an absorption-energy transfer-emission process from the aromatic donors in the cavity of cyclodextrin to the Eu{sup 3+} ion residing in the appended aza macrocycle. Different conformations of the aza attached to the cyclodextrin have been designed. The efficiency of the migration process from the LHG to the Eu{sup 3+} ions is intimately related to the structure of the supramolecular assembly as well as to the nature of the LHG. Hydrophobic recognition of the guest by the CD is cooperative with its interaction to the metal ion. This paper will show that specificity in binding coupled with shorter distances for energy transfer results in much brighter luminescence from the cyclodextrin supramolecule.

  4. Sandia Cognitive Rsch. Environ.: Associative Network and Situation Recognition C

    Energy Science and Technology Software Center (OSTI)

    2003-12-11

    The software implements core elements of the SCORE Cognitive Framework. This Associative Network and Situation Recognition core is implemented in the Umbra simulation and modular software framework, which is C++-based. An instance of the cognitive framework “kernel” is implemented as a network of Umbra modules (Gottlieb, et al, 2002) comprising a Concepts Database, an Associative Network, a Situation Recognizer, a Comparator, and a Situations-Concept Driver. At initialization, these modules load the data files that togethermore » specify all the components of a particular cognitive model, such as concept declarations, situation declarations, spreading activation weights, and situation-cue-patterns. The software also includes a Discrepancy Detector class for detecting, overtime, discrepancies between instances of situations and occurrences of actions, A Discrepancy Detector can be incorporated into a system that includes, in addition to the network of modules above, software that monitors when a user performs an action and that passes this information to the Discrepancy Detector module, At initialization, the Discrepancy Detector module in such a system reads in data file specifying action declarations, the expectations of action instances due to a situation instance, and actions that should be considered discrepant when an instance is not expected. The figure below illustrates a prototype system incorporating a Discrepancy Detector module.« less

  5. Structure recognition from high resolution images of ceramic composites

    SciTech Connect (OSTI)

    Ushizima, Daniela; Perciano, Talita; Krishnan, Harinarayan; Loring, Burlen; Bale, Hrishikesh; Parkinson, Dilworth; Sethian, James

    2015-01-05

    Fibers provide exceptional strength-to-weight ratio capabilities when woven into ceramic composites, transforming them into materials with exceptional resistance to high temperature, and high strength combined with improved fracture toughness. Microcracks are inevitable when the material is under strain, which can be imaged using synchrotron X-ray computed micro-tomography (mu-CT) for assessment of material mechanical toughness variation. An important part of this analysis is to recognize fibrillar features. This paper presents algorithms for detecting and quantifying composite cracks and fiber breaks from high-resolution image stacks. First, we propose recognition algorithms to identify the different structures of the composite, including matrix cracks and fibers breaks. Second, we introduce our package F3D for fast filtering of large 3D imagery, implemented in OpenCL to take advantage of graphic cards. Results show that our algorithms automatically identify micro-damage and that the GPU-based implementation introduced here takes minutes, being 17x faster than similar tools on a typical image file.

  6. Sulfate Recognition by Persistent Crystalline Capsules with Rigidified Hydrogen Bonding Cavities

    SciTech Connect (OSTI)

    Custelcean, Radu; Remy, Priscilla; Jiang, Deen; Bonnesen, Peter V; Moyer, Bruce A

    2008-01-01

    electivity is a fundamental property of pervasive importance in chemistry and biology as reflected in phenomena as diverse as membrane transport, catalysis, sensing, adsorption, complexation, and crystallization. Although the key principles of complementarity and preorganization governing the binding interactions underlying such phenomena were delineated long ago, truly profound selectivity has proven elusive by design in part because synthetic molecular architectures are neither maximally complementary for binding target species nor sufficiently rigid. Even if a host molecule possesses a high degree of complementarity for a guest species, it all too often can distort its structure or even rearrange its conformation altogether to accommodate competing guests. One approach taken by researchers to overcome this challenge has been to devise extremely rigid molecules that bind species within complementary cavities. Although examples have been reported to demonstrate the principle, such cases are not generally of practical utility, because of inefficient synthesis and often poor kinetics. Alternatively, flexible building blocks can be employed, but then the challenge becomes one of locking them in place. Taking a cue from natural binding agents that derive their rigidity from a network of molecular interactions, especially hydrogen bonding, we present herein an example of a crystalline, self-assembled capsule that binds sulfate by a highly complementary array of rigidified hydrogen bonds (H-bonds). Although covalent or self-assembled capsules have been previously employed as anion hosts, they typically lack the strict combination of complementarity and rigidity required for high selectivity. Furthermore, the available structural data for these systems is either restricted to a limited number of anions of similar size and shape, or varies significantly from one anion to another, which hampers the rationalization of the observed selectivity. We have been employing crystalline host environments functionalized with anion-coordinating groups as a means to obtain maximal three-dimensional complementarity and rigidity. In the present study, we focused on the problem of sulfate recognition and separation, motivated by its high relevance to environmental remediation and nuclear waste cleanup.

  7. Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutini...

    Office of Scientific and Technical Information (OSTI)

    H1N1 Influenza Virus Hemagglutinin Receptor Binding Site Citation Details In-Document Search Title: Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin ...

  8. Visual Empirical Region of Influence (VERI) Pattern Recognition Algorithms

    SciTech Connect (OSTI)

    2002-05-01

    We developed new pattern recognition (PR) algorithms based on a human visual perception model. We named these algorithms Visual Empirical Region of Influence (VERI) algorithms. To compare the new algorithm's effectiveness against othe PR algorithms, we benchmarked their clustering capabilities with a standard set of two-dimensional data that is well known in the PR community. The VERI algorithm succeeded in clustering all the data correctly. No existing algorithm had previously clustered all the pattens in the data set successfully. The commands to execute VERI algorithms are quite difficult to master when executed from a DOS command line. The algorithm requires several parameters to operate correctly. From our own experiences we realized that if we wanted to provide a new data analysis tool to the PR community we would have to provide a new data analysis tool to the PR community we would have to make the tool powerful, yet easy and intuitive to use. That was our motivation for developing graphical user interfaces (GUI's) to the VERI algorithms. We developed GUI's to control the VERI algorithm in a single pass mode and in an optimization mode. We also developed a visualization technique that allows users to graphically animate and visually inspect multi-dimensional data after it has been classified by the VERI algorithms. The visualization technique that allows users to graphically animate and visually inspect multi-dimensional data after it has been classified by the VERI algorithms. The visualization package is integrated into the single pass interface. Both the single pass interface and optimization interface are part of the PR software package we have developed and make available to other users. The single pass mode only finds PR results for the sets of features in the data set that are manually requested by the user. The optimization model uses a brute force method of searching through the cominations of features in a data set for features that produce the best pattern recognition results. With a small number of features in a data set an exact solution can be determined. However, the number of possible combinations increases exponentially with the number of features and an alternate means of finding a solution must be found. We developed and implemented a technique for finding solutions in data sets with both small and large numbers of features. The VERI interface tools were written using the Tcl/Tk GUI programming language, version 8.1. Although the Tcl/Tk packages are designed to run on multiple computer platforms, we have concentrated our efforts to develop a user interface for the ubiquitous DOS environment. The VERI algorithms are compiled, executable programs. The interfaces run the VERI algorithms in Leave-One-Out mode using the Euclidean metric.

  9. Visual Empirical Region of Influence (VERI) Pattern Recognition Algorithms

    Energy Science and Technology Software Center (OSTI)

    2002-05-01

    We developed new pattern recognition (PR) algorithms based on a human visual perception model. We named these algorithms Visual Empirical Region of Influence (VERI) algorithms. To compare the new algorithm's effectiveness against othe PR algorithms, we benchmarked their clustering capabilities with a standard set of two-dimensional data that is well known in the PR community. The VERI algorithm succeeded in clustering all the data correctly. No existing algorithm had previously clustered all the pattens inmore » the data set successfully. The commands to execute VERI algorithms are quite difficult to master when executed from a DOS command line. The algorithm requires several parameters to operate correctly. From our own experiences we realized that if we wanted to provide a new data analysis tool to the PR community we would have to provide a new data analysis tool to the PR community we would have to make the tool powerful, yet easy and intuitive to use. That was our motivation for developing graphical user interfaces (GUI's) to the VERI algorithms. We developed GUI's to control the VERI algorithm in a single pass mode and in an optimization mode. We also developed a visualization technique that allows users to graphically animate and visually inspect multi-dimensional data after it has been classified by the VERI algorithms. The visualization technique that allows users to graphically animate and visually inspect multi-dimensional data after it has been classified by the VERI algorithms. The visualization package is integrated into the single pass interface. Both the single pass interface and optimization interface are part of the PR software package we have developed and make available to other users. The single pass mode only finds PR results for the sets of features in the data set that are manually requested by the user. The optimization model uses a brute force method of searching through the cominations of features in a data set for features that produce the best pattern recognition results. With a small number of features in a data set an exact solution can be determined. However, the number of possible combinations increases exponentially with the number of features and an alternate means of finding a solution must be found. We developed and implemented a technique for finding solutions in data sets with both small and large numbers of features. The VERI interface tools were written using the Tcl/Tk GUI programming language, version 8.1. Although the Tcl/Tk packages are designed to run on multiple computer platforms, we have concentrated our efforts to develop a user interface for the ubiquitous DOS environment. The VERI algorithms are compiled, executable programs. The interfaces run the VERI algorithms in Leave-One-Out mode using the Euclidean metric.« less

  10. Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin

    Office of Scientific and Technical Information (OSTI)

    Receptor Binding Site (Journal Article) | SciTech Connect Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site Citation Details In-Document Search Title: Antibody Recognition of the Pandemic H1N1 Influenza Virus Hemagglutinin Receptor Binding Site Authors: Hong, Minsun ; Lee, Peter S. ; Hoffman, Ryan M.B. ; Zhu, Xueyong ; Krause, Jens C. ; Laursen, Nick S. ; Yoon, Sung-il ; Song, Langzhou ; Tussey, Lynda ; Crowe, Jr., James E. ; Ward, Andrew B. ;

  11. DOE ZERH Webinar: Sales and Value Recognition of ZERH | Department of

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

    Energy Sales and Value Recognition of ZERH DOE ZERH Webinar: Sales and Value Recognition of ZERH Watch the video or view the presentation slides below Net Zero Energy properties have unique, high-performance features that should be prominently presented during the listing and sales process. However, these features also present challenges for appraisers and lenders: Lenders are challenged to find appraisers with competency and competent appraisers are challenged with limited Net Zero Energy

  12. 3M's Model Rewards and Recognition Program Engages Employees and Drives

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

    Energy Savings Efforts | Department of Energy M's Model Rewards and Recognition Program Engages Employees and Drives Energy Savings Efforts 3M's Model Rewards and Recognition Program Engages Employees and Drives Energy Savings Efforts This case study provides information about 3M's approach to energy efficiency, profiling company efforts to implement more than 1,900 employee-inspired projects that have realized a 22% improvement in energy efficiency and yielded $100 million in energy

  13. Method for preparing radiopharmaceutical complexes

    DOE Patents [OSTI]

    Jones, Alun G.; Davison, Alan; Abrams, Michael J.

    1989-05-02

    A method for preparing radiopharmaceutical complexes that are substantially free of the reaction materials used to produce the radiopharmaceutical complex is disclosed. The method involves admixing in a suitable first solvent in a container a target seeking ligand or salt or metal adduct thereof, a radionuclide label, and a reducing agent for said radionuclide, thereby forming said radiopharmaceutical complex; coating the interior walls of the container with said pharmaceutical complex; discarding the solvent containing by-products and unreacted starting reaction materials; and removing the radiopharmaceutical complex from said walls by dissolving it in a second solvent, thereby obtaining said radiopharmaceutical complex substantially free of by-products and unreacted starting materials.

  14. Nuclear Weapons Complex reconfiguration study

    SciTech Connect (OSTI)

    Not Available

    1991-01-01

    Shortly after assuming duties as Secretary of Energy, I reviewed the Nuclear Weapons Complex Modernization Report'' submitted to the Congress in January 1989 as required by the National Defense Authorization Act of 1988 and 1989. My review showed that several of the report's assumptions needed to be re-evaluated. During this eighteen-month review, dramatic world changes forced further reassessments of the future Nuclear Weapons Complex. These changes are reflected in the new report. The new report presents a plan to achieve a reconfigured complex, called Complex-21. Complex-21 would be smaller, less diverse, and less expensive to operated than the Complex of today. Complex-21 would be able to safely and reliability support nuclear deterrent stockpile objectives set forth by the President and funded by the Congress. It would be consistent with realities of the emerging international security environment and flexible enough to accommodate the likely range of deterrent contingencies. In addition, Complex-21 would be constructed and operated to comply with all applicable federal, state, and local laws, regulations, and orders. Achieving Complex-21 will require significant resources. This report provides and organized approach toward selecting the most appropriate configuration for Complex-21, satisfying environmental requirements, and minimizing costs. The alternative -- to continue to use piecemeal fixes to run an antiquated complex -- will be more expensive and provide a less reliable Nuclear Weapons Complex. As a consequence, implementation of the Complex-21 plan is considered necessary to ensure continued viability of our nuclear deterrent.

  15. Unraveling a Hotspot for TCR Recognition on HLA-A2: Evidence Against the Existence of Peptide-independent TCR Binding Determinants

    SciTech Connect (OSTI)

    Gagnon, Susan J.; Borbulevych, Oleg Y.; Davis-Harrison, Rebecca L.; Baxter, Tiffany K.; Clemens, John R.; Armstrong, Kathryn M.; Turner, Richard V.; Damirjian, Marale; Biddison, William E.; Baker, Brian M.

    2010-07-19

    T cell receptor (TCR) recognition of peptide takes place in the context of the major histocompatibility complex (MHC) molecule, which accounts for approximately two-thirds of the peptide/MHC buried surface. Using the class I MHC HLA-A2 and a large panel of mutants, we have previously shown that surface mutations that disrupt TCR recognition vary with the identity of the peptide. The single exception is Lys66 on the HLA-A2 {alpha}1 helix, which when mutated to alanine disrupts recognition for 93% of over 250 different T cell clones or lines, independent of which peptide is bound. Thus, Lys66 could serve as a peptide-independent TCR binding determinant. Here, we have examined the role of Lys66 in TCR recognition of HLA-A2 in detail. The structure of a peptide/HLA-A2 molecule with the K66A mutation indicates that although the mutation induces no major structural changes, it results in the exposure of a negatively charged glutamate (Glu63) underneath Lys66. Concurrent replacement of Glu63 with glutamine restores TCR binding and function for T cells specific for five different peptides presented by HLA-A2. Thus, the positive charge on Lys66 does not serve to guide all TCRs onto the HLA-A2 molecule in a manner required for productive signaling. Furthermore, electrostatic calculations indicate that Lys66 does not contribute to the stability of two TCR-peptide/HLA-A2 complexes. Our findings are consistent with the notion that each TCR arrives at a unique solution of how to bind a peptide/MHC, most strongly influenced by the chemical and structural features of the bound peptide. This would not rule out an intrinsic affinity of TCRs for MHC molecules achieved through multiple weak interactions, but for HLA-A2 the collective mutational data place limits on the role of any single MHC amino acid side-chain in driving TCR binding in a peptide-independent fashion.

  16. SCC: The Strategic Computing Complex

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

    SCC: The Strategic Computing Complex SCC: The Strategic Computing Complex The Strategic Computing Complex (SCC) is a secured supercomputing facility that supports the calculation, modeling, simulation, and visualization of complex nuclear weapons data in support of the Stockpile Stewardship Program. The 300,000-square-foot, vault-type building features an unobstructed 43,500-square-foot computer room, which is an open room about three-fourths the size of a football field. The Strategic Computing

  17. Complex pendulum biomass sensor

    DOE Patents [OSTI]

    Hoskinson, Reed L.; Kenney, Kevin L.; Perrenoud, Ben C.

    2007-12-25

    A complex pendulum system biomass sensor having a plurality of pendulums. The plurality of pendulums allow the system to detect a biomass height and density. Each pendulum has an angular deflection sensor and a deflector at a unique height. The pendulums are passed through the biomass and readings from the angular deflection sensors are fed into a control system. The control system determines whether adjustment of machine settings is appropriate and either displays an output to the operator, or adjusts automatically adjusts the machine settings, such as the speed, at which the pendulums are passed through the biomass. In an alternate embodiment, an entanglement sensor is also passed through the biomass to determine the amount of biomass entanglement. This measure of entanglement is also fed into the control system.

  18. Molecular Recognition: Preparation and Characterization of Two Tripodal Anion Receptors

    SciTech Connect (OSTI)

    Shokri, Alireza; Deng, Shihu; Wang, Xue B.; Kass, Steven R.

    2014-03-01

    Two new tripodal hydroxyl-based anion receptors (1 and 2) are reported and their molecular complexes with Cl, H2PO4 , and OAc along with the (M1) ion of 1 were characterized by negative ion photoelectron spectroscopy in the gas phase and by binding constant determinations in four solvents (i.e., CDCl3, CD2Cl2, CD3COCD3, and CD3CN). An intramolecular hydrogen bond network (HBN) in hexaol 1 was found to diminish its binding whereas the triol 2 is the strongest aliphatic hydroxyl-based receptor to date.

  19. Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability

    SciTech Connect (OSTI)

    Burrows, Scott R.; Chen, Zhenjun; Archbold, Julia K.; Tynan, Fleur E.; Beddoe, Travis; Kjer-Nielsen, Lars; Miles, John J.; Khanna, Rajiv; Moss, Denis J.; Liu, Yu Chih; Gras, Stephanie; Kostenko, Lyudmila; Brennan, Rebekah M.; Clements, Craig S.; Brooks, Andrew G.; Purcell, Anthony W.; McCluskey, James; Rossjohn, Jamie

    2010-07-07

    {alpha}{beta} T cell receptors (TCRs) are genetically restricted to corecognize peptide antigens bound to self-major histocompatibility complex (pMHC) molecules; however, the basis for this MHC specificity remains unclear. Despite the current dogma, evaluation of the TCR-pMHC-I structural database shows that the nongermline-encoded complementarity-determining region (CDR)-3 loops often contact the MHC-I, and the germline-encoded CDR1 and -2 loops frequently participate in peptide-mediated interactions. Nevertheless, different TCRs adopt a roughly conserved docking mode over the pMHC-I, in which three MHC-I residues (65, 69, and 155) are invariably contacted by the TCR in one way or another. Nonetheless, the impact of mutations at these three positions, either individually or together, was not uniformly detrimental to TCR recognition of pHLA-B*0801 or pHLA-B*3508. Moreover, when TCR-pMHC-I recognition was impaired, this could be partially restored by expression of the CD8 coreceptor. The structure of a TCR-pMHC-I complex in which these three (65, 69, and 155) MHC-I positions were all mutated resulted in shifting of the TCR footprint relative to the cognate complex and formation of compensatory interactions. Collectively, our findings reveal the inherent adaptability of the TCR in maintaining peptide recognition while accommodating changes to the central docking site on the pMHC-I.

  20. Nonisostructural complex oxide heteroepitaxy

    SciTech Connect (OSTI)

    Wong, Franklin J. Ramanathan, Shriram

    2014-07-01

    The authors present an overview of the fundamentals and representative examples of the growth of epitaxial complex oxide thin films on structurally dissimilar substrates. The authors will delineate how the details of particular crystal structures and symmetry of different oxide surfaces can be employed for a rational approach to the synthesis of nonisostructural epitaxial heterostructures. The concept of oxygen eutaxy can be widely applied. Materials combinations will be split into three categories, and in all cases the films and substrates occur in different crystal structures: (1) common translational and rotational symmetry between the film and substrate planes; (2) translational symmetry mismatch between the substrates and films that is distinct from a simple mismatch in lattice parameters; and (3) rotational symmetry mismatch. In case (1), in principle single-crystalline thin films can be attained despite the films and substrates possessing different crystal structures. In case (2), antiphase boundaries will be prevalent in the thin films. In case (3), thin-film rotational variants that are joined by tilt boundaries will be present. Diffraction techniques to determine crystallographic alignment and epitaxial variants are discussed, and transmission electron microscopy studies to investigate extended defects in the thin films will also be reviewed. The authors end with open problems in this field regarding the structure of oxide interfaces that can be topics for future research.

  1. CD94-NKG2A Recognition of Human Leukocyte Antigen (HLA)-E Bound to an HLA Class I Leader Sequence

    SciTech Connect (OSTI)

    Petrie,E.; Clements, C.; Lin, J.; Sullivan, L.; Johnson, D.; Huyton, T.; Heroux, A.; Hoare, H.; Beddoe, T.; et al

    2008-01-01

    The recognition of human leukocyte antigen (HLA)-E by the heterodimeric CD94-NKG2 natural killer (NK) receptor family is a central innate mechanism by which NK cells monitor the expression of other HLA molecules, yet the structural basis of this highly specific interaction is unclear. Here, we describe the crystal structure of CD94-NKG2A in complex with HLA-E bound to a peptide derived from the leader sequence of HLA-G. The CD94 subunit dominated the interaction with HLA-E, whereas the NKG2A subunit was more peripheral to the interface. Moreover, the invariant CD94 subunit dominated the peptide-mediated contacts, albeit with poor surface and chemical complementarity. This unusual binding mode was consistent with mutagenesis data at the CD94-NKG2A-HLA-E interface. There were few conformational changes in either CD94-NKG2A or HLA-E upon ligation, and such a 'lock and key' interaction is typical of innate receptor-ligand interactions. Nevertheless, the structure also provided insight into how this interaction can be modulated by subtle changes in the peptide ligand or by the pairing of CD94 with other members of the NKG2 family. Differences in the docking strategies used by the NKG2D and CD94-NKG2A receptors provided a basis for understanding the promiscuous nature of ligand recognition by NKG2D compared with the fidelity of the CD94-NKG2 receptors.

  2. ZERH Webinar: Sales and Value Recognition of Zero Energy Ready Homes |

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

    Department of Energy ZERH Webinar: Sales and Value Recognition of Zero Energy Ready Homes ZERH Webinar: Sales and Value Recognition of Zero Energy Ready Homes December 18, 2014 12:00PM to 1:15PM EST GoToWebinar The U.S. Department of Energy Zero Energy Ready Home (ZERH) Program represents a whole new level of home performance, with rigorous requirements that ensure outstanding levels of energy savings, comfort, health, and durability. Zero energy ready homes include critical systems that

  3. ORISE receives continued recognition at the Star level in DOE Voluntary

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

    Protection Program receives continued recognition at the Star level in DOE VPP ORISE recently awarded seventh straight "Star of Excellence" award for its pursuit of excellence in health and safety FOR IMMEDIATE RELEASE March 12, 2012 FY12-16 OAK RIDGE, Tenn.-The Oak Ridge Institute for Science and Education, which is managed by Oak Ridge Associated Universities, was recently recognized for its pursuit of excellence in health and safety and for achieving continued recognition at the

  4. Fast Company covers "Just Your Typical New Mexico Image Recognition Startup

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

    Spun Off From A Government Lab" (Not) just your typical Lab spin off Fast Company covers "Just Your Typical New Mexico Image Recognition Startup Spun Off From A Government Lab" Far from Silicon Valley, Descartes Labs aims to turn a national research facility's AI research into new ways of understanding the world. July 30, 2015 Fast Company covers "Just Your Typical New Mexico Image Recognition Startup Spun Off From A Government Lab" Descartes Labs cofounders Mark

  5. Y-12 National Security Complex

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

    Home Y-12 National Security Complex Home Nuclear Deterrence Global Security Naval Reactors Partnerships Security News Search form Search... Search Latest News | CNS, UT chemical...

  6. Structural basis for recognition of hemi-methylated DNA by the SRA domain of human UHRF1.

    SciTech Connect (OSTI)

    Avvakumov, George V.; Walker, John R.; Xue, Sheng; Li, Yanjun; Duan, Shili; Bronner, Christian; Arrowsmith, Cheryl H.; Dhe-Paganon, Sirano

    2008-11-17

    Epigenetic inheritance in mammals is characterized by high-fidelity replication of CpG methylation patterns during development. UHRF1 (also known as ICBP90 in humans and Np95 in mouse) is an E3 ligase important for the maintenance of global and local DNA methylation in vivo. The preferential affinity of UHRF1 for hemi-methylated DNA over symmetrically methylated DNA by means of its SET and RING-associated (SRA) domain and its association with the maintenance DNA methyltransferase 1 (DNMT1) suggests a role in replication of the epigenetic code. Here we report the 1.7 {angstrom} crystal structure of the apo SRA domain of human UHRF1 and a 2.2 {angstrom} structure of its complex with hemi-methylated DNA, revealing a previously unknown reading mechanism for methylated CpG sites (mCpG). The SRA-DNA complex has several notable structural features including a binding pocket that accommodates the 5-methylcytosine that is flipped out of the duplex DNA. Two specialized loops reach through the resulting gap in the DNA from both the major and the minor grooves to read the other three bases of the CpG duplex. The major groove loop confers both specificity for the CpG dinucleotide and discrimination against methylation of deoxycytidine of the complementary strand. The structure, along with mutagenesis data, suggests how UHRF1 acts as a key factor for DNMT1 maintenance methylation through recognition of a fundamental unit of epigenetic inheritance, mCpG.

  7. Haem Recognition By a Staphylococcus Aureus NEAT Domain

    SciTech Connect (OSTI)

    Grigg, J.C.; Vermeiren, C.; Heinrichs, D.E.; Murphy, M.E.P.

    2009-06-01

    Successful pathogenic organisms have developed mechanisms to thrive under extreme levels of iron restriction. Haem-iron represents the largest iron reservoir in the human body and is a significant source of iron for some bacterial pathogens. NEAT (NEAr Transporter) domains are found exclusively in a family of cell surface proteins in Gram-positive bacteria. Many NEAT domain-containing proteins, including IsdA in Staphylococcus aureus, are implicated in haem binding. Here, we show that overexpression of IsdA in S. aureus enhances growth and an inactivation mutant of IsdA has a growth defect, compared with wild type, when grown in media containing haem as the sole iron source. Furthermore, the haem-binding property of IsdA is contained within the NEAT domain. Crystal structures of the apo-IsdA NEAT domain and in complex with haem were solved and reveal a clathrin adapter-like beta-sandwich fold with a large hydrophobic haem-binding pocket. Haem is bound with the propionate groups directed at the molecular surface and the iron is co-ordinated solely by Tyr(166). The phenol groups of Tyr(166) and Tyr(170) form an H-bond that may function in regulating haem binding and release. An analysis of IsdA structure-sequence alignments indicate that conservation of Tyr(166) is a predictor of haem binding by NEAT domains.

  8. Reducing the size of a data base by using pattern-recognition techniques

    SciTech Connect (OSTI)

    Clapp, N.E. Jr.

    1982-01-01

    An on-line surveillance system at a nuclear power plant samples data and calculates the power spectral density. A method of reducing the amount of stored data by screening the data using a pattern recognition technique was developed. The system stores only the spectra that differ from normal, plus the corresponding plant operating conditions. 7 figures.

  9. Advanced Facades, Daylighting, and Complex Fenestration Systems...

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

    Facades, Daylighting, and Complex Fenestration Systems Advanced Facades, Daylighting, and Complex Fenestration Systems Emerging Technologies Project for the 2013 Building ...

  10. Complexity, action, and black holes

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

    Brown, Adam R.; Roberts, Daniel A.; Susskind, Leonard; Swingle, Brian; Zhao, Ying

    2016-04-18

    In an earlier paper "Complexity Equals Action" we conjectured that the quantum computational complexity of a holographic state is given by the classical action of a region in the bulk (the `Wheeler-DeWitt' patch). We provide calculations for the results quoted in that paper, explain how it fits into a broader (tensor) network of ideas, and elaborate on the hypothesis that black holes are the fastest computers in nature.

  11. Plastic Deformations in Complex Plasmas

    SciTech Connect (OSTI)

    Durniak, C.; Samsonov, D.

    2011-04-29

    Complex plasmas are macroscopic model systems of real solids and liquids, used to study underdamped dynamics and wave phenomena. Plastic deformations of complex plasma crystals under slow uniaxial compression have been studied experimentally and numerically. It is shown that the lattice becomes locally sheared and that this strain is relaxed by shear slips resulting in global uniform compression and heat generation. Shear slips generate pairs of dislocations which move in opposite directions at subsonic speeds.

  12. A learning-pattern recognition system for static-line-loading security assessment of power system

    SciTech Connect (OSTI)

    Prasad, N.R.

    1989-01-01

    The methodologies explored in this dissertation address the topic static-line-loading security using a learning pattern recognition approach. A basic issue in the pattern recognition approach is to determine if, indeed, the patterns of power system behavior are separable in terms of secure and insecure classes. Class separability is studied from the viewpoint of both intraset clustering and interset dispersion using feature extraction methodologies. While interset dispersion is examined only to the extent of whether or not it exists, no specific attempts are made to optimize the dispersion through feature selection methodologies. The properties of pattern vectors to exhibit intraset clustering and interset dispersion are explored using two different techniques. These techniques are the Karhunen-Loeve Expansion Method which does not assume any specific statistical distribution for the patterns, and the Minimum Entropy Method which assumes patterns that exhibit Gaussian distributions. Although both methods are fundamentally based on the concept of entropy minimization, the transformational properties that yield clustering are distinctly different. The differences are due to assumptions made regarding the statistical distributions of patterns representing system behavior. The application of patterns based on engineering heuristics and a priori knowledge of the system behavior is shown to provide enhanced classification power in the pattern recognition system. Results for several test systems are documented. The feasibility of utilizing mathematical pattern recognition techniques as a primary information processing system for security assessment and a means to subsequently induce learning is demonstrated. As such, a framework for the development of decision making tools with subsequent inputs to rule-based expert systems is speculated in a learning environment.

  13. Honors and Recognition | OSTI, US Dept of Energy, Office of Scientific and

    Office of Scientific and Technical Information (OSTI)

    Technical Information Honors and Recognition Achievements Home Milestones Accelerating Access Charts 2012 January 2012 - CENDI Meritorious Award for FY11 2011 March 2011 - OSTI honored with Anderson County Combined Federal Campaign Awards 2010 December 2010 - White House recognizes ScienceEducation.gov August 2010 - OSTIblog cited as a Top Government Blog 2009 December 2009 - OSTI clears path for finding many of world's highly-ranked research repositories, new rankings show October 2009 -

  14. Security training symposium: Meeting the challenge: Firearms and explosives recognition and detection

    SciTech Connect (OSTI)

    Not Available

    1990-09-01

    These conference proceedings have been prepared in support of the US Nuclear Regulatory Commission's Security Training Symposium on Meeting the Challenge -- Firearms and Explosives Recognition and Detection,'' November 28 through 30, 1989, in Bethesda, Maryland. This document contains the edited transcripts of the guest speakers. It also contains some of the speakers' formal papers that were distributed and some of the slides that were shown at the symposium (Appendix A).

  15. Ion Recognition Approach to Volume Reduction of Alkaline Tank Waste by Separation and Recycle of Sodium Hydroxide and Sodium Nitrate

    SciTech Connect (OSTI)

    Moyer, Bruce A.; Marchand, Alan P.

    2001-06-01

    Disposal of high-level nuclear waste is horrendously expensive, in large part because the actual radioactive matter in the tanks has been diluted over 1000-fold by ordinary inorganic chemicals. Treatment processes themselves can exacerbate the problem by adding further volume to the waste. Waste retrieval and sludge washing, for example, will require copious amounts of sodium hydroxide. If the needed sodium hydroxide could be separated from the waste and recycled, however, the addition of fresh sodium hydroxide could be avoided, ultimately reducing the final waste volume and associated disposal costs. The major objective of this research is to explore new liquid-liquid extraction approaches to the selective separation of sodium hydroxide from alkaline high-level wastes stored in underground tanks at the Hanford and Savannah River sites. Consideration is also given to separating potassium and abundant anions, including nitrate, nitrite, aluminate, and carbonate. Salts of these ions represent possible additional value for recycle, alternative disposal, or even use as commodity chemicals. A comprehensive approach toward understanding the extractive chemistry of these salts is envisioned, involving systems of varying complexity, from use of simple solvents to new bifunctional host molecules for ion-pair recognition. These extractants will ideally require no adjustment of the waste composition and will release the extracted salt into water, thereby consuming no additional chemicals and producing no additional waste volume. The overall goal of this research is to provide a scientific foundation upon which the feasibility of new liquid-liquid extraction chemistry applicable to the bulk reduction of the volume of tank waste can be evaluated.

  16. Ion Recognition Approach to Volume Reduction of Alkaline Tank Waste by Separation and Recycle of Sodium Hydroxide and Sodium Nitrate

    SciTech Connect (OSTI)

    Moyer, Bruce A.; Marchand, Alan P.

    2000-06-01

    Disposal of high- level waste is horrendously expensive, in large part because the actual radioactive matter in the tanks has been diluted over 1000-fold by ordinary inorganic chemicals. Treatment processes themselves can exacerbate the problem by adding further volume to the waste. Waste retrieval and sludge washing, for example, will require copious amounts of sodium hydroxide. If the needed sodium hydroxide could be separated from the waste and recycled, however, the addition of fresh sodium hydroxide could be avoided, ultimately reducing the final waste volume and associated disposal costs. The major objective of this research is to explore new liquid- liquid extraction approaches to the selective separation of sodium hydroxide from alkaline high-level wastes stored in underground tanks at the Hanford and Savannah River sites. Consideration is also given to separating potassium and abundant anions, including nitrate, nitrite, aluminate, and carbonate. Salts of these ions represent possible additional value for recycle, alternative disposal, or even use as commodity chemicals. A comprehensive approach toward understanding the extractive chemistry of these salts is envisioned, involving systems of varying complexity, from use of simple solvents to new bifunctional host molecules for ion-pair recognition. These extractants will ideally require no adjustment of the waste composition and will release the extracted salt into water, thereby consuming no additional chemicals and producing no additional waste volume. The overall goal of this research is to provide a scientific foundation upon which the feasibility of new liquid-liquid extraction chemistry applicable to the bulk reduction of the volume of tank waste can be evaluated.

  17. Ion Recognition Approach to Volume Reduction of Alkaline Tank Waste by Separation and Recycle of Sodium Hydroxide and Sodium Nitrate

    SciTech Connect (OSTI)

    Moyer, Bruce A.; Marchand, Alan P.; Bryan, Jeffrey C.; Bonnesen, Peter V.

    1999-06-01

    The objective of this research is to explore new liquid-liquid extraction approaches to the selective separation of major sodium salts from alkaline high-level wastes stored in underground tanks at Hanford, Savannah River, and Oak Ridge sites. Disposal of high level waste is horrendously expensive, in large part because the actual radioactive matter in the tanks has been diluted over 1000-fold by ordinary inorganic chemicals. Since the residual bulk chemicals must still undergo expensive treatment and disposal after most of the hazardous radionuclides have been removed, large cost savings will result from processes that reduce the overall waste volume. It is proposed that major cost savings can be expected if sodium hydroxide needed for sludge washing can be obtained from the waste itself, thus avoiding the addition of yet another bulk chemical to the waste and still further increase of the waste volume and disposal cost. Secondary priority is given to separating potassium an d abundant anions, including nitrate, nitrite, aluminate, and carbonate. Salts of these ions represent possible additional value for recycle, alternative disposal, or even use as commodity chemicals. A comprehensive approach toward understanding the extractive chemistry of these salts is envisioned, involving systems of varying complexity, from use of simple solvents to new bifunctional host molecules for ion-pair recognition. These extractants will ideally require no adjustment of the waste composition and will release the extracted salt into water, thereby consuming no additional chemicals and producing no additional waste volume. The overall goal of this research is to provide a scientific foundation upon which the feasibility of new liquid-liquid extraction chemistry applicable to the bulk reduction of the volume of tank waste can be evaluated.

  18. Critical role of iodination for T cell recognition of thyroglobulin in experimental murine thyroid autoimmunity

    SciTech Connect (OSTI)

    Champion, B.R.; Rayner, D.C.; Byfield, P.G.H.; Page, K.R.; Chan, C.T.J.; Roitt, I.M.

    1987-12-01

    The authors have used two clonotypically distinct thyroglobulin (Tg)-specific, I-A/sup k/-restricted monoclonal T cell populations to investigate the role of thyroid peroxidase-catalyzed iodination in Tg recognition by autorreactive T cells. The results showed that these T cells could recognize Tg only it was sufficiently iodinated. Unlike normal mouse Tg, noniodinated mouse Tg was unable to induce significant thyroid lesions but could trigger the production of Tg autoantibodies. In these experiments, the importance of T cell recognition of iodination-related epitopes was emphasized by the inability of serum antibodies to distinguish Tg on the basis of iodine content, whether they were induced with normal or noniodinated Tg. Therefore, thyroid peroxidase-dependent modification of Tg would appear to be central to its recognition by autoreactive T cells and hence its capacity to induce autoimmune thyroid lesions. Proliferative responses of the Tg-specific T cell clone was assessed by the incorporation of (/sup 125/I) deoxyuridine. Anti-Tg antibody activity was determined by radioimmunoassay.

  19. Bike to work | Y-12 National Security Complex

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

    in recognition of National Bike Month. From left to right: Jay Snyder, Uvalde Mendez, Stephen Charles, Todd Mills, Susan Baker, David Mosby and Libby Clemens take advantage of...

  20. Developement of 3D Vertically Integrated Pattern Recognition Associative Memory (VIPRAM)

    SciTech Connect (OSTI)

    Deputch, G.; Hoff, J.; Lipton, R.; Liu, T.; Olsen, J.; Ramberg, E.; Wu, Jin-Yuan; Yarema, R.; Shochet, M.; Tang, F.; Demarteau, M.; /Argonne /INFN, Padova

    2011-04-13

    Many next-generation physics experiments will be characterized by the collection of large quantities of data, taken in rapid succession, from which scientists will have to unravel the underlying physical processes. In most cases, large backgrounds will overwhelm the physics signal. Since the quantity of data that can be stored for later analysis is limited, real-time event selection is imperative to retain the interesting events while rejecting the background. Scaling of current technologies is unlikely to satisfy the scientific needs of future projects, so investments in transformational new technologies need to be made. For example, future particle physics experiments looking for rare processes will have to address the demanding challenges of fast pattern recognition in triggering as detector hit density becomes significantly higher due to the high luminosity required to produce the rare processes. In this proposal, we intend to develop hardware-based technology that significantly advances the state-of-the-art for fast pattern recognition within and outside HEP using the 3D vertical integration technology that has emerged recently in industry. The ultimate physics reach of the LHC experiments will crucially depend on the tracking trigger's ability to help discriminate between interesting rare events and the background. Hardware-based pattern recognition for fast triggering on particle tracks has been successfully used in high-energy physics experiments for some time. The CDF Silicon Vertex Trigger (SVT) at the Fermilab Tevatron is an excellent example. The method used there, developed in the 1990's, is based on algorithms that use a massively parallel associative memory architecture to identify patterns efficiently at high speed. However, due to much higher occupancy and event rates at the LHC, and the fact that the LHC detectors have a much larger number of channels in their tracking detectors, there is an enormous challenge in implementing pattern recognition for a track trigger, requiring about three orders of magnitude more associative memory patterns than what was used in the original CDF SVT. Significant improvement in the architecture of associative memory structures is needed to run fast pattern recognition algorithms of this scale. We are proposing the development of 3D integrated circuit technology as a way to implement new associative memory structures for fast pattern recognition applications. Adding a 'third' dimension to the signal processing chain, as compared to the two-dimensional nature of printed circuit boards, Field Programmable Gate Arrays (FPGAs), etc., opens up the possibility for new architectures that could dramatically enhance pattern recognition capability. We are currently performing preliminary design work to demonstrate the feasibility of this approach. In this proposal, we seek to develop the design and perform the ASIC engineering necessary to realize a prototype device. While our focus here is on the Energy Frontier (e.g. the LHC), the approach may have applications in experiments in the Intensity Frontier and the Cosmic Frontier as well as other scientific and medical projects. In fact, the technique that we are proposing is very generic and could have wide applications far beyond track trigger, both within and outside HEP.

  1. Proteomics based compositional analysis of complex cellulase...

    Office of Scientific and Technical Information (OSTI)

    Proteomics based compositional analysis of complex cellulase-hemicellulase mixtures Citation Details In-Document Search Title: Proteomics based compositional analysis of complex ...

  2. Interfacial Magnetism in Complex Oxide Heterostructures Probed...

    Office of Scientific and Technical Information (OSTI)

    Interfacial Magnetism in Complex Oxide Heterostructures Probed by Neutrons and X-rays This ... Next Title: Interfacial Magnetism in Complex Oxide Heterostructures Probed by Neutrons ...

  3. EA-2010: Alternating Gradient Synchrotron Complex Improvements...

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

    EA-2010: Alternating Gradient Synchrotron Complex Improvements at Brookhaven National Laboratory; Upton, New York EA-2010: Alternating Gradient Synchrotron Complex Improvements at ...

  4. Albuquerque Complex | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    About Our Locations Albuquerque Complex The Albuquerque Complex provides responsive business, technical, financial, legal, and management advice and services to successfully ...

  5. Aromatic triamide-lanthanide complexes

    DOE Patents [OSTI]

    2013-10-08

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one phthalamidyl moiety. Also provided are probes incorporating the phthalamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  6. Rational design of a split-Cas9 enzyme complex

    SciTech Connect (OSTI)

    Wright, Addison V.; Sternberg, Samuel H.; Taylor, David W.; Staahl, Brett T.; Bardales, Jorge A.; Kornfeld, Jack E.; Doudna, Jennifer A.

    2015-02-23

    Cas9, an RNA-guided DNA endonuclease found in clustered regularly interspaced short palindromic repeats (CRISPR) bacterial immune systems, is a versatile tool for genome editing, transcriptional regulation, and cellular imaging applications. Structures of Streptococcus pyogenes Cas9 alone or bound to single-guide RNA (sgRNA) and target DNA revealed a bilobed protein architecture that undergoes major conformational changes upon guide RNA and DNA binding. To investigate the molecular determinants and relevance of the interlobe rearrangement for target recognition and cleavage, we designed a split-Cas9 enzyme in which the nuclease lobe and ?-helical lobe are expressed as separate polypeptides. The lobes do not interact on their own, the sgRNA recruits them into a ternary complex that recapitulates the activity of full-length Cas9 and catalyzes site-specific DNA cleavage. The use of a modified sgRNA abrogates split-Cas9 activity by preventing dimerization, allowing for the development of an inducible dimerization system. We propose that split-Cas9 can act as a highly regulatable platform for genome-engineering applications.

  7. Rational design of a split-Cas9 enzyme complex

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

    Wright, Addison V.; Sternberg, Samuel H.; Taylor, David W.; Staahl, Brett T.; Bardales, Jorge A.; Kornfeld, Jack E.; Doudna, Jennifer A.

    2015-02-23

    Cas9, an RNA-guided DNA endonuclease found in clustered regularly interspaced short palindromic repeats (CRISPR) bacterial immune systems, is a versatile tool for genome editing, transcriptional regulation, and cellular imaging applications. Structures of Streptococcus pyogenes Cas9 alone or bound to single-guide RNA (sgRNA) and target DNA revealed a bilobed protein architecture that undergoes major conformational changes upon guide RNA and DNA binding. To investigate the molecular determinants and relevance of the interlobe rearrangement for target recognition and cleavage, we designed a split-Cas9 enzyme in which the nuclease lobe and α-helical lobe are expressed as separate polypeptides. The lobes do not interactmore » on their own, the sgRNA recruits them into a ternary complex that recapitulates the activity of full-length Cas9 and catalyzes site-specific DNA cleavage. The use of a modified sgRNA abrogates split-Cas9 activity by preventing dimerization, allowing for the development of an inducible dimerization system. We propose that split-Cas9 can act as a highly regulatable platform for genome-engineering applications.« less

  8. Structure of ERA in Complex with the 3 End of 16s rRNBA Implications for Ribosome Biogenesis

    SciTech Connect (OSTI)

    Tu, C.; Zhou, X; Tropea, J; Austin, B; Waugh, D; Court, D; Ji, X

    2009-01-01

    ERA, composed of an N-terminal GTPase domain followed by an RNA-binding KH domain, is essential for bacterial cell viability. It binds to 16S rRNA and the 30S ribosomal subunit. However, its RNA-binding site, the functional relationship between the two domains, and its role in ribosome biogenesis remain unclear. We have determined two crystal structures of ERA, a binary complex with GDP and a ternary complex with a GTP-analog and the 1531AUCACCUCCUUA1542 sequence at the 3? end of 16S rRNA. In the ternary complex, the first nine of the 12 nucleotides are recognized by the protein. We show that GTP binding is a prerequisite for RNA recognition by ERA and that RNA recognition stimulates its GTP-hydrolyzing activity. Based on these and other data, we propose a functional cycle of ERA, suggesting that the protein serves as a chaperone for processing and maturation of 16S rRNA and a checkpoint for assembly of the 30S ribosomal subunit. The AUCA sequence is highly conserved among bacteria, archaea, and eukaryotes, whereas the CCUCC, known as the anti-Shine-Dalgarno sequence, is conserved in noneukaryotes only. Therefore, these data suggest a common mechanism for a highly conserved ERA function in all three kingdoms of life by recognizing the AUCA, with a 'twist' for noneukaryotic ERA proteins by also recognizing the CCUCC.

  9. Structure of ERA in complex with the 3? end of 16S rRNA: Implications for ribosome biogenesis

    SciTech Connect (OSTI)

    Tu, Chao; Zhou, Xiaomei; Tropea, Joseph E.; Austin, Brian P.; Waugh, David S.; Court, Donald L.; Ji, Xinhua

    2009-10-09

    ERA, composed of an N-terminal GTPase domain followed by an RNA-binding KH domain, is essential for bacterial cell viability. It binds to 16S rRNA and the 30S ribosomal subunit. However, its RNA-binding site, the functional relationship between the two domains, and its role in ribosome biogenesis remain unclear. We have determined two crystal structures of ERA, a binary complex with GDP and a ternary complex with a GTP-analog and the {sub 1531}AUCACCUCCUUA{sub 1542} sequence at the 3' end of 16S rRNA. In the ternary complex, the first nine of the 12 nucleotides are recognized by the protein. We show that GTP binding is a prerequisite for RNA recognition by ERA and that RNA recognition stimulates its GTP-hydrolyzing activity. Based on these and other data, we propose a functional cycle of ERA, suggesting that the protein serves as a chaperone for processing and maturation of 16S rRNA and a checkpoint for assembly of the 30S ribosomal subunit. The AUCA sequence is highly conserved among bacteria, archaea, and eukaryotes, whereas the CCUCC, known as the anti-Shine-Dalgarno sequence, is conserved in noneukaryotes only. Therefore, these data suggest a common mechanism for a highly conserved ERA function in all three kingdoms of life by recognizing the AUCA, with a 'twist' for noneukaryotic ERA proteins by also recognizing the CCUCC.

  10. Electricity Market Complex Adaptive System

    Energy Science and Technology Software Center (OSTI)

    2004-10-14

    EMCAS is a model developed for the simulation and analysis of electricity markets. As power markets are relatively new and still continue to evolve, there is a growing need for advanced modeling approaches that simulate the behavior of electricity markets over time and how market participants may act and react to the changing economic, financial, and regulatory environments in which they operate. A new and rather promising approach applied in the EMCAS software is tomore » model the electricity market as a complex adaptive system using an agent-based modeling and simulation scheme. With its unique combination of various novel approaches, the Agent Based Modeling System (ABMS) provides the ability to capture and investigate the complex interactions between the physical infrastructures (generation, transmission, and distribution) and the economic behavior of market participants that are a trademark of the newly emerging markets.« less

  11. Sandia National Laboratories: DOE Complex Wide Agreements

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

    DOE Complex Wide Agreements Sandia National Laboratories utilizes complex wide agreements to leverage the annual spending, to yield lower prices, and to provide cost savings to the complex. The Complex agreements utilized by Sandia National Laboratories include: Supply Chain Management Center (SCMC) agreements Integrated Contractor Purchasing TEAM (ICPT) General Services Administration (GSA)

  12. Complex hydrides for hydrogen storage

    DOE Patents [OSTI]

    Zidan, Ragaiy

    2006-08-22

    A hydrogen storage material and process of forming the material is provided in which complex hydrides are combined under conditions of elevated temperatures and/or elevated temperature and pressure with a titanium metal such as titanium butoxide. The resulting fused product exhibits hydrogen desorption kinetics having a first hydrogen release point which occurs at normal atmospheres and at a temperature between 50.degree. C. and 90.degree. C.

  13. KTM Experimental Complex Project Status

    SciTech Connect (OSTI)

    Tazhibayeva, I.L.; Azizov, E.A.; Krylov, V.A.; Shkolnik, V.S.; Velikhov, E.P.; Obysov, N.A.; Tukhvatulin, Sh.T.; Tikhomirov, L.N.; Shestakov, V.P.; Filatov, O.G

    2005-04-15

    A review of KTM experimental complex project status, which is aimed the creation of a Kazakhstani spherical tokamak for study and tests materials and components of future fusion reactors. Revised basic parameters of the KTM facility and ground of the changes taking into account new plasma core geometry, new design of vacuum chamber and modified magnetic system, transport sluice and movable divertor devices, and additional RF-heating system are presented here.

  14. SAR Image Complex Pixel Representations

    SciTech Connect (OSTI)

    Doerry, Armin W.

    2015-03-01

    Complex pixel values for Synthetic Aperture Radar (SAR) images of uniform distributed clutter can be represented as either real/imaginary (also known as I/Q) values, or as Magnitude/Phase values. Generally, these component values are integers with limited number of bits. For clutter energy well below full-scale, Magnitude/Phase offers lower quantization noise than I/Q representation. Further improvement can be had with companding of the Magnitude value.

  15. Materials and Fuels Complex Tour

    ScienceCinema (OSTI)

    Miley, Don

    2013-05-28

    The Materials and Fuels Complex at Idaho National Laboratory is home to several facilities used for the research and development of nuclear fuels. Stops include the Fuel Conditioning Facility, the Hot Fuel Examination Facility (post-irradiation examination), and the Space and Security Power System Facility, where radioisotope thermoelectric generators (RTGs) are assembled for deep space missions. You can learn more about INL research programs at http://www.facebook.com/idahonationallaboratory.

  16. Synchronization in node of complex networks consist of complex chaotic system

    SciTech Connect (OSTI)

    Wei, Qiang, E-mail: qiangweibeihua@163.com [Beihua University computer and technology College, BeiHua University, Jilin, 132021, Jilin (China); Digital Images Processing Institute of Beihua University, BeiHua University, Jilin, 132011, Jilin (China); Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China); Xie, Cheng-jun [Beihua University computer and technology College, BeiHua University, Jilin, 132021, Jilin (China); Digital Images Processing Institute of Beihua University, BeiHua University, Jilin, 132011, Jilin (China); Liu, Hong-jun [School of Information Engineering, Weifang Vocational College, Weifang, 261041 (China); Li, Yan-hui [The Library, Weifang Vocational College, Weifang, 261041 (China)

    2014-07-15

    A new synchronization method is investigated for node of complex networks consists of complex chaotic system. When complex networks realize synchronization, different component of complex state variable synchronize up to different scaling complex function by a designed complex feedback controller. This paper change synchronization scaling function from real field to complex field for synchronization in node of complex networks with complex chaotic system. Synchronization in constant delay and time-varying coupling delay complex networks are investigated, respectively. Numerical simulations are provided to show the effectiveness of the proposed method.

  17. Single-Molecule Dynamics Reveals Cooperative Binding-Folding in Protein Recognition

    SciTech Connect (OSTI)

    Wang, Jin; Lu, Qiang N.; Lu, H PETER.

    2006-07-01

    The study of associations between two biomolecules is the key to understand molecular recognition and function. Molecular function is often thought to be determined by the underlying structures. Here, combining single molecule study of protein binding with an energy landscape inspired microscopic model, we found strong evidences that bio-molecular recognition is determined by flexibilities in addition to structures. Our model is based on coarse grained molecular dynamics performed on the residue level with the energy function biased towards the native binding structure (Go model). With our model, the underlying free energy landscape of the binding can be explored. Two distinct conformational states as free energy minimum, one with partially folding of CBD and significant binding of CBD to CDC42, and another with native folding of CBD and native binding of CBD to CDC42, are clearly seen. This shows the binding process proceeds with significant interface binding of CBD with CDC42 first without complete folding of CBD. Finally binding and folding are coupled with each other cooperatively to reach the native binding state. The single molecule experimental finding of the dynamic fluctuations between the loosely bound and closely bound conformational states can be identified with theoretically calculated free energy minimum and quantitatively explained in our model as a result of binding associated with large conformational changes. Theoretical predictions have identified certain key residues for binding which are consistent with mutational experiments. The combined study provides a test ground for fundamental mechanisms as well as insights into design and further explorations on biomolecular recognition with large conformational changes.

  18. Protein superfamily members as targets for computer modeling: The carbohydrate recognition domain of a macrophage lectin

    SciTech Connect (OSTI)

    Stenkamp, R.E.; Aruffo, A.; Bajorath, J.

    1996-12-31

    Members of protein superfamilies display similar folds, but share only limited sequence identity, often 25% or less. Thus, it is not straightforward to apply standard homology modeling methods to construct reliable three-dimensional models of such proteins. A three-dimensional model of the carbohydrate recognition domain of the rat macrophage lectin, a member of the calcium-dependent (C-type) lectin superfamily, has been generated to illustrate how information provided by comparison of X-ray structures and sequence-structure alignments can aid in comparative modeling when primary sequence similarities are low. 20 refs., 4 figs.

  19. Methods and apparatus for non-acoustic speech characterization and recognition

    DOE Patents [OSTI]

    Holzrichter, John F.

    1999-01-01

    By simultaneously recording EM wave reflections and acoustic speech information, the positions and velocities of the speech organs as speech is articulated can be defined for each acoustic speech unit. Well defined time frames and feature vectors describing the speech, to the degree required, can be formed. Such feature vectors can uniquely characterize the speech unit being articulated each time frame. The onset of speech, rejection of external noise, vocalized pitch periods, articulator conditions, accurate timing, the identification of the speaker, acoustic speech unit recognition, and organ mechanical parameters can be determined.

  20. Design Molecular Recognition Materials for Chiral Sensors, Separtations and Catalytic Materials

    SciTech Connect (OSTI)

    Jia, S.; Nenoff, T.M.; Provencio, P.; Qiu, Y.; Shelnutt, J.A.; Thoma, S.G.; Zhang, J.

    1998-11-01

    The goal is the development of materials that are highly sensitive and selective for chid chemicals and biochemical (such as insecticides, herbicides, proteins, and nerve agents) to be used as sensors, catalysts and separations membranes. Molecular modeling methods are being used to tailor chiral molecular recognition sites with high affinity and selectivity for specified agents. The work focuses on both silicate and non-silicate materials modified with chirally-pure fictional groups for the catalysis or separations of enantiomerically-pure molecules. Surfactant and quaternary amine templating is being used to synthesize porous frameworks, containing mesopores of 30 to 100 angstroms. Computer molecukw modeling methods are being used in the design of these materials, especially in the chid surface- modi~ing agents. Molecular modeling is also being used to predict the catalytic and separations selectivities of the modified mesoporous materials. The ability to design and synthesize tailored asymmetric molecular recognition sites for sensor coatings allows a broader range of chemicals to be sensed with the desired high sensitivity and selectivity. Initial experiments target the selective sensing of small molecule gases and non-toxic model neural compounds. Further efforts will address designing sensors that greatly extend the variety of resolvable chemical species and forming a predictive, model-based method for developing advanced sensors.

  1. Supramolecular Chemistry of Selective Anion Recognition for Anions of Environmental Relevance

    SciTech Connect (OSTI)

    Jonathan L. Sessler

    2007-09-21

    The major thrust of this project, led by the University of Kansas (Prof. Kristin Bowman-James), entails an exploration of the basic determinants of anion recognition and their application to the design, synthesis, and testing of novel sulfate extractants. A key scientific inspiration for the work comes from the need, codified in simple-to-appreciate terms by the Oak Ridge National Laboratory component of the team (viz. Dr. Bruce Moyer), for chemical entities that can help in the extractive removal of species that have low solubilities in borosilicate glass. Among such species, sulfate anion, has been identified as particularly insidious. Its presence interferes with the vitrification process, thus rendering the remediation of tank waste from, e.g., the Hanford site far more difficult and expensive. The availability of effective extractants, that would allow for the separation of separating sulfate from the major competing anions in the waste, especially nitrate, could allow for pre-vitrification removal of sulfate via liquid-liquid extraction. The efforts at The University of Texas, the subject of this report, have thus concentrated on the development of new sulfate receptors. These systems are designed to increase our basic understanding of anion recognition events and set the stage for the development of viable sulfate anion extractants. In conjunction with the Oak Ridge National Laboratory (ORNL) members of the research team, several of these new receptors were studied as putative extractants, with two of the systems being shown to act as promising synergists for anion exchange.

  2. A Case for Molecular Recognition in Nuclear Separations: Sulfate Separation from Nuclear Wastes

    SciTech Connect (OSTI)

    Moyer, Bruce A; Custelcean, Radu; Hay, Benjamin; Sessler, Jonathan L.; Bowman-James, Kristin; Day, Victor W.; Kang, S.O.

    2013-01-01

    In this paper, we present the case for molecular-recognition approaches for sulfate removal from radioactive wastes via the use of anion-sequestering systems selective for sulfate, using either liquid liquid extraction or crystallization. Potential benefits of removing sulfate from the waste include improved vitrification of the waste, reduced waste-form volume, and higher waste-form performance, all of which lead to potential cleanup schedule acceleration and cost savings. The need for sulfate removal from radioactive waste, especially legacy tank wastes stored at the Hanford site, is reviewed in detail and primarily relates to the low solubility of sulfate in borosilicate glass. Traditional methods applicable to the separation of sulfate from radioactive wastes are also reviewed, with the finding that currently no technology has been identified and successfully demonstrated to meet this need. Fundamental research in the authors laboratories targeting sulfate as an important representative of the class of oxoanions is based on the hypothesis that designed receptors may provide the needed ability to recognize sulfate under highly competitive conditions, in particular where the nitrate anion concentration is high. Receptors that have been shown to have promising affinity for sulfate, either in extraction or in crystallization experiments, include hexaurea tripods, tetraamide macrocycles, cyclo[8]pyrroles, calixpyrroles, and self-assembled urea-lined cages. Good sulfate selectivity observed in the laboratory provides experimental support for the proposed molecular-recognition approach.

  3. Functionalized active-nucleus complex sensor

    DOE Patents [OSTI]

    Pines, Alexander; Wemmer, David E.; Spence, Megan; Rubin, Seth

    2003-11-25

    A functionalized active-nucleus complex sensor that selectively associates with one or more target species, and a method for assaying and screening for one or a plurality of target species utilizing one or a plurality of functionalized active-nucleus complexes with at least two of the functionalized active-nucleus complexes having an attraction affinity to different corresponding target species. The functionalized active-nucleus complex has an active-nucleus and a targeting carrier. The method involves functionalizing an active-nucleus, for each functionalized active-nucleus complex, by incorporating the active-nucleus into a macromolucular or molecular complex that is capable of binding one of the target species and then bringing the macromolecular or molecular complexes into contact with the target species and detecting the occurrence of or change in a nuclear magnetic resonance signal from each of the active-nuclei in each of the functionalized active-nucleus complexes.

  4. Complex oxides useful for thermoelectric energy conversion

    DOE Patents [OSTI]

    Majumdar, Arunava; Ramesh, Ramamoorthy; Yu, Choongho; Scullin, Matthew L.; Huijben, Mark

    2012-07-17

    The invention provides for a thermoelectric system comprising a substrate comprising a first complex oxide, wherein the substrate is optionally embedded with a second complex oxide. The thermoelectric system can be used for thermoelectric power generation or thermoelectric cooling.

  5. Complex Flow Workshop Report | Department of Energy

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

    Complex Flow Workshop Report Complex Flow Workshop Report A discussion on the impacts of complex wind flows in and out of wind turbine environments, the research needs, and the challenges of meteorological and engineering modeling at regional, wind plant, and wind turbine scales. PDF icon complex_flow_workshop_report.pdf More Documents & Publications Atmosphere to Electrons: Enabling the Wind Plant of Tomorrow Offshore Resource Assessment and Design Conditions Public Meeting Summary Report

  6. Quantum Computing: Solving Complex Problems

    ScienceCinema (OSTI)

    DiVincenzo, David [IBM Watson Research Center

    2009-09-01

    One of the motivating ideas of quantum computation was that there could be a new kind of machine that would solve hard problems in quantum mechanics. There has been significant progress towards the experimental realization of these machines (which I will review), but there are still many questions about how such a machine could solve computational problems of interest in quantum physics. New categorizations of the complexity of computational problems have now been invented to describe quantum simulation. The bad news is that some of these problems are believed to be intractable even on a quantum computer, falling into a quantum analog of the NP class. The good news is that there are many other new classifications of tractability that may apply to several situations of physical interest.

  7. Calculate and Plot Complex Potential

    Energy Science and Technology Software Center (OSTI)

    1998-05-05

    SOLUPLOT is a program designed to calculate and plot complex potential, pH diagrams and log oxygen activity, pH diagrams for aqueous chemical syatems, considering speciation of ligands, from free energy and thermodynamic activity data. These diagrams, commonly referred to as Eh-pH and ao2-pH diagrams, respectively, define areas of predominance in Eh-pH diagrams or ao2-pH space for chemical species of a chemical system at equilibrium. Over an area of predominance, one predominant species is at greatermore » activity than the other species of the system considered. The diagram axes, pH (a measure of hydrogen ion activity) and either Eh or log ao2 (measures of a tendency toward either oxidation or reduction) , are paremeters commonly applied in describing the chemistry of aqueous systems.« less

  8. ICDF Complex Remedial Action Report

    SciTech Connect (OSTI)

    W. M. Heileson

    2007-09-26

    This Idaho CERCLA Disposal Facility (ICDF) Remedial Action Report has been prepared in accordance with the requirements of Section 6.2 of the INEEL CERCLA Disposal Facility Remedial Action Work Plan. The agency prefinal inspection of the ICDF Staging, Storage, Sizing, and Treatment Facility (SSSTF) was completed in June of 2005. Accordingly, this report has been developed to describe the construction activities completed at the ICDF along with a description of any modifications to the design originally approved for the facility. In addition, this report provides a summary of the major documents prepared for the design and construction of the ICDF, a discussion of relevant requirements and remedial action objectives, the total costs associated with the development and operation of the facility to date, and identification of necessary changes to the Agency-approved INEEL CERCLA Disposal Facility Remedial Action Work Plan and the ICDF Complex Operations and Maintenance Plan.

  9. Evolution of I-SceI Homing Endonucleases with Increased DNA Recognition Site Specificity

    SciTech Connect (OSTI)

    Joshi, Rakesh; Ho, Kwok Ki; Tenney, Kristen; Chen, Jui-Hui; Golden, Barbara L.; Gimble, Frederick S.

    2013-09-18

    Elucidating how homing endonucleases undergo changes in recognition site specificity will facilitate efforts to engineer proteins for gene therapy applications. I-SceI is a monomeric homing endonuclease that recognizes and cleaves within an 18-bp target. It tolerates limited degeneracy in its target sequence, including substitution of a C:G{sub +4} base pair for the wild-type A:T{sub +4} base pair. Libraries encoding randomized amino acids at I-SceI residue positions that contact or are proximal to A:T{sub +4} were used in conjunction with a bacterial one-hybrid system to select I-SceI derivatives that bind to recognition sites containing either the A:T{sub +4} or the C:G{sub +4} base pairs. As expected, isolates encoding wild-type residues at the randomized positions were selected using either target sequence. All I-SceI proteins isolated using the C:G{sub +4} recognition site included small side-chain substitutions at G100 and either contained (K86R/G100T, K86R/G100S and K86R/G100C) or lacked (G100A, G100T) a K86R substitution. Interestingly, the binding affinities of the selected variants for the wild-type A:T{sub +4} target are 4- to 11-fold lower than that of wild-type I-SceI, whereas those for the C:G{sub +4} target are similar. The increased specificity of the mutant proteins is also evident in binding experiments in vivo. These differences in binding affinities account for the observed -36-fold difference in target preference between the K86R/G100T and wild-type proteins in DNA cleavage assays. An X-ray crystal structure of the K86R/G100T mutant protein bound to a DNA duplex containing the C:G{sub +4} substitution suggests how sequence specificity of a homing enzyme can increase. This biochemical and structural analysis defines one pathway by which site specificity is augmented for a homing endonuclease.

  10. Heat Transfer in Complex Fluids

    SciTech Connect (OSTI)

    Mehrdad Massoudi

    2012-01-01

    Amongst the most important constitutive relations in Mechanics, when characterizing the behavior of complex materials, one can identify the stress tensor T, the heat flux vector q (related to heat conduction) and the radiant heating (related to the radiation term in the energy equation). Of course, the expression 'complex materials' is not new. In fact, at least since the publication of the paper by Rivlin & Ericksen (1955), who discussed fluids of complexity (Truesdell & Noll, 1992), to the recently published books (Deshpande et al., 2010), the term complex fluids refers in general to fluid-like materials whose response, namely the stress tensor, is 'non-linear' in some fashion. This non-linearity can manifest itself in variety of forms such as memory effects, yield stress, creep or relaxation, normal-stress differences, etc. The emphasis in this chapter, while focusing on the constitutive modeling of complex fluids, is on granular materials (such as coal) and non-linear fluids (such as coal-slurries). One of the main areas of interest in energy related processes, such as power plants, atomization, alternative fuels, etc., is the use of slurries, specifically coal-water or coal-oil slurries, as the primary fuel. Some studies indicate that the viscosity of coal-water mixtures depends not only on the volume fraction of solids, and the mean size and the size distribution of the coal, but also on the shear rate, since the slurry behaves as shear-rate dependent fluid. There are also studies which indicate that preheating the fuel results in better performance, and as a result of such heating, the viscosity changes. Constitutive modeling of these non-linear fluids, commonly referred to as non-Newtonian fluids, has received much attention. Most of the naturally occurring and synthetic fluids are non-linear fluids, for example, polymer melts, suspensions, blood, coal-water slurries, drilling fluids, mud, etc. It should be noted that sometimes these fluids show Newtonian (linear) behavior for a given range of parameters or geometries; there are many empirical or semi-empirical constitutive equations suggested for these fluids. There have also been many non-linear constitutive relations which have been derived based on the techniques of continuum mechanics. The non-linearities oftentimes appear due to higher gradient terms or time derivatives. When thermal and or chemical effects are also important, the (coupled) momentum and energy equations can give rise to a variety of interesting problems, such as instability, for example the phenomenon of double-diffusive convection in a fluid layer. In Conclusion, we have studied the flow of a compressible (density gradient type) non-linear fluid down an inclined plane, subject to radiation boundary condition. The heat transfer is also considered where a source term, similar to the Arrhenius type reaction, is included. The non-dimensional forms of the equations are solved numerically and the competing effects of conduction, dissipation, heat generation and radiation are discussed. It is observed that the velocity increases rapidly in the region near the inclined surface and is slower in the region near the free surface. Since R{sub 7} is a measure of the heat generation due to chemical reaction, when the reaction is frozen (R{sub 7}=0.0) the temperature distributions would depend only on R{sub 1}, and R{sub 2}, representing the effects of the pressure force developed in the material due to the distribution, R{sub 3} and R{sub 4} viscous dissipation, R{sub 5} the normal stress coefficient, R{sub 6} the measure of the emissivity of the particles to the thermal conductivity, etc. When the flow is not frozen (RP{sub 7} > 0) the temperature inside the flow domain is much higher than those at the inclined and free surfaces. As a result, heat is transferred away from the flow toward both the inclined surface and the free surface with a rate that increases as R{sub 7} increases. For a given temperature, an increase in {zeta} implies that the activation energy is smaller and thus, the reaction ra

  11. Ion Recognition Approach to Volume Reduction of Alkaline Tank Waste by Separation of Sodium Salts

    SciTech Connect (OSTI)

    Levitskaia, Tatiana G.; Lumetta, Gregg J.; Moyer, Bruce A.; Bonnesen, Peter V.

    2006-06-01

    The purpose of this research involving collaboration between Oak Ridge National Laboratory (ORNL) and Pacific Northwest National Laboratory (PNNL) is to explore new approaches to the separation of sodium hydroxide, sodium nitrate, and other sodium salts from high-level alkaline tank waste. The principal potential benefit is a major reduction in disposed waste volume, obviating the building of expensive new waste tanks and reducing the costs of low-activity waste immobilization. Principles of ion recognition are being researched toward discovery of liquid extraction systems that selectively separate sodium hydroxide and sodium nitrate from other waste components. The successful concept of pseudohydroxide extraction using fluorinated alcohols and phenols is being developed at ORNL and PNNL toward a greater understanding of the controlling equilibria, role of solvation, and of synergistic effects involving crown ethers. Studies at PNNL are directed toward new solvent formulation for the practical sodium pseudohydroxide extraction systems.

  12. Deconstructing the Peptide-MHC Specificity of T Cell Recognition | Stanford

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

    Synchrotron Radiation Lightsource Deconstructing the Peptide-MHC Specificity of T Cell Recognition Saturday, May 31, 2014 T Cell Figure Figure 1. Overlay of TCR-pMHC structures for 2B4 recognizing MCC (PDB ID: 3QIB), 2B4 recognizing 2A (PDB ID: 4P2O), 226 recognizing MCC (PDB ID: 3QIU), 226 recognizing MCC K99E (PDB ID: 3QIW), 5cc7 recognizing 5c1 (PDB ID: 4P2R), and 5cc7 recognizing 5c2 (PDB ID: 4P2Q), all presented by I-Ek. Despite considerable differences in peptide sequence for 2A, 5c1,

  13. Fast transient security evaluation of power systems by using pattern recognition techniques

    SciTech Connect (OSTI)

    Mokhtari, S.

    1983-01-01

    A power system is a dynamic system. The reaction of a power network to the same set of disturbances is different for various initial equilibrium states. For a given set of contingencies, some of the initial equilibrium states are stable and some of them are unstable. The purpose of this dissertation is to identify if a given operating conditions of the system is stable (secure) or unstable (insecure) for certain disturbances by using real time data. The time required for on-line security analysis can be reduced if pattern recognition techniques are employed. The use of a pattern recognition technique in on-line transient security analysis of power systems is examined. Load magnitudes are treated as random variables with an assumed statistical distribution having a standard deviation of 10%. The simulation technique is applied, off-line, to check system security for the defined set of contingencies. For each initial system condition, the potentially good variables are identified. The number of variables is reduced and variables with the highest discriminatory power are identified. Two decision rules are then developed by using Generalized Square Distance and K-Nearest Neighbor classification techniques. Next, the performance of each classifier is evaluated by using two risk estimating techniques, Jackknife Risk Estimation and Independent Test Risk estimation. The best classifier is identified. Finally, using this classifier, a computer program is developed. This program is capable of predicting, on-line, the security and insecurity of the given power system for any initial system condition within the range defined for the training set. The important features of this program are its accuracy, speed, adaptability and up-dating scheme.

  14. Tag: environment | Y-12 National Security Complex

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

    environment Tag: environment Displaying 1 - 7 of 7... Category: News Y-12 completes waste removal project two years ahead of schedule Y-12 completed disposition of 2,247 containers of mixed waste more than two years ahead of the deadline. More... Category: News Bike to work Seven Y-12 employees biked to work from Oak Ridge May 22 in recognition of National Bike Month. More... Category: About The greening of Y-12 Learn a few Y-12 green facts. More... Category: About Green is the new black TN

  15. Physical mapping of complex genomes

    DOE Patents [OSTI]

    Evans, Glen A.

    1993-01-01

    Method for simultaneous identification of overlapping cosmid clones among multiple cosmid clones and the use of the method for mapping complex genomes are provided. A library of cosmid clones that contains the DNA to be mapped is constructed and arranged in a manner such that individual clones can be identified and replicas of the arranged clones prepared. In preferred embodiments, the clones are arranged in a two dimensional matrix. In such embodiments, the cosmid clones in a row are pooled, mixed probes complementary to the ends of the DNA inserts int he pooled clones are synthesized, hybridized to a first replica of the library. Hybridizing clones, which include the pooled row, are identified. A second portion of clones is prepared by pooling cosmid clones that correspond to a column in the matrix. The second pool thereby includes one clone from the first portion pooled clones. This common clone is located on the replica at the intersection of the column and row. Mixed probes complementary to the ends of the DNA inserts in the second pooled portion of clones are prepared and hybridized to a second replica of the library. The hybridization pattern on the first and second replicas of the library are compared and cross-hybridizing clones, other than the clones in the pooled column and row, that hybridize to identical clones in the first and second replicas are identified. These clones necessarily include DNA inserts that overlap with the DNA insert int he common clone located at the intersection of the pooled row and pooled column. The DNA in the entire library may be mapped by pooling the clones in each of the rows and columns of the matrix, preparing mixed end-specific probes and hybridizing the probes from each row or column to a replica of the library. Since all clones in the library are located at the intersection of a column and a row, the overlapping clones for all clones in the library may be identified and a physical map constructed. In other preferred embodiments, the cosmid clones are arranged in a three dimensional matrix, pooled and compared in threes according to intersecting planes of the three dimensional matrix. Arrangements corresponding to geometries of higher dimensions may also be prepared and used to simultaneously identify overlapping clones in highly complex libraries with relatively few hybridization reactions.

  16. Software Complexity Threatens Performance Portability

    SciTech Connect (OSTI)

    Gamblin, T.

    2015-09-11

    Modern HPC software packages are rarely self-contained. They depend on a large number of external libraries, and many spend large fractions of their runtime in external subroutines. Performance portability depends not only on the effort of application teams, but also on the availability of well-tuned libraries. At most sites, the burden of maintaining libraries is shared by code teams and facilities. Facilities typically provide well-tuned default versions, but code teams frequently build with bleeding-edge compilers to achieve high performance. For this reason, HPC has no “standard” software stack, unlike other domains where performance is not critical. Incompatibilities among compilers and software versions force application teams and facility staff to re-build custom versions of libraries for each new toolchain. Because the number of potential configurations is combinatorial, and because HPC software is notoriously difficult to port to new machines [3, 7, 8], the tuning effort required to support and maintain performance-portable libraries outstrips the available manpower at most sites. Software complexity is a growing obstacle to performance portability for HPC.

  17. Advanced nuclear plant control complex

    DOE Patents [OSTI]

    Scarola, Kenneth; Jamison, David S.; Manazir, Richard M.; Rescorl, Robert L.; Harmon, Daryl L.

    1993-01-01

    An advanced control room complex for a nuclear power plant, including a discrete indicator and alarm system (72) which is nuclear qualified for rapid response to changes in plant parameters and a component control system (64) which together provide a discrete monitoring and control capability at a panel (14-22, 26, 28) in the control room (10). A separate data processing system (70), which need not be nuclear qualified, provides integrated and overview information to the control room and to each panel, through CRTs (84) and a large, overhead integrated process status overview board (24). The discrete indicator and alarm system (72) and the data processing system (70) receive inputs from common plant sensors and validate the sensor outputs to arrive at a representative value of the parameter for use by the operator during both normal and accident conditions, thereby avoiding the need for him to assimilate data from each sensor individually. The integrated process status board (24) is at the apex of an information hierarchy that extends through four levels and provides access at each panel to the full display hierarchy. The control room panels are preferably of a modular construction, permitting the definition of inputs and outputs, the man machine interface, and the plant specific algorithms, to proceed in parallel with the fabrication of the panels, the installation of the equipment and the generic testing thereof.

  18. The RNA recognition motif domains of RBM5 are required for RNA binding and cancer cell proliferation inhibition

    SciTech Connect (OSTI)

    Zhang, Lei; Zhang, Qing; Yang, Yu; Wu, Chuanfang

    2014-02-14

    Highlights: • RNA recognition motif domains of RBM5 are essential for cell proliferation inhibition. • RNA recognition motif domains of RBM5 are essential for apoptosis induction. • RNA recognition motif domains of RBM5 are essential for RNA binding. • RNA recognition motif domains of RBM5 are essential for caspase-2 alternative splicing. - Abstract: RBM5 is a known putative tumor suppressor gene that has been shown to function in cell growth inhibition by modulating apoptosis. RBM5 also plays a critical role in alternative splicing as an RNA binding protein. However, it is still unclear which domains of RBM5 are required for RNA binding and related functional activities. We hypothesized the two putative RNA recognition motif (RRM) domains of RBM5 spanning from amino acids 98–178 and 231–315 are essential for RBM5-mediated cell growth inhibition, apoptosis regulation, and RNA binding. To investigate this hypothesis, we evaluated the activities of the wide-type and mutant RBM5 gene transfer in low-RBM5 expressing A549 cells. We found that, unlike wild-type RBM5 (RBM5-wt), a RBM5 mutant lacking the two RRM domains (RBM5-ΔRRM), is unable to bind RNA, has compromised caspase-2 alternative splicing activity, lacks cell proliferation inhibition and apoptosis induction function in A549 cells. These data provide direct evidence that the two RRM domains of RBM5 are required for RNA binding and the RNA binding activity of RBM5 contributes to its function on apoptosis induction and cell growth inhibition.

  19. Manhattan Project: F Reactor Plutonium Production Complex

    Office of Scientific and Technical Information (OSTI)

    F REACTOR PLUTONIUM PRODUCTION COMPLEX Hanford Engineer Works, 1945 Resources > Photo Gallery Plutonium production area, Hanford, ca. 1945 The F Reactor plutonium production ...

  20. Decamethylytterbocene Complexes of Bipyridines and Diazabutadienes...

    Office of Scientific and Technical Information (OSTI)

    These results have implications for understanding chemical bonding not only in organolanthanide complexes but also for f-element chemistry in general, as well as understanding ...

  1. Mediating Biofuel Complexity through "Mediator" Modification...

    Office of Science (SC) Website

    Mediating Biofuel Complexity through "Mediator" Modification Basic Energy Sciences (BES) ... to more efficient and lower cost routes to high-yield biomass-derived renewable fuels. ...

  2. A brief history of the Biology Complex

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

    Complex Most of the "Biology" buildings were constructed in early 1945 and were built as expansion capability for the uranium preparation operations being conducted across the...

  3. NMR Spectroscopic Investigation of Inclusion Complexes between...

    Office of Scientific and Technical Information (OSTI)

    NMR Spectroscopic Investigation of Inclusion Complexes between Cyclodextrins and the Neurotoxin Tetramethylenedisulfotetramine (TETS) Citation Details In-Document Search Title: NMR ...

  4. Expertise | Y-12 National Security Complex

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

    Security Complex has more than 60 years of experience in the production, handling, packaging, transportation and accountability of nuclear materials. In conducting this...

  5. Scanning Transmission Electron Microscopy Investigations of Complex...

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

    oxidation of light paraffins and olefins, as well as the partial oxidation of methanol. We present HAADF-STEM investigations of various complex oxide phases and show that...

  6. Radioactive Waste Management Complex Wide Review

    Office of Environmental Management (EM)

    This page intentionally blank i Complex-Wide Review of DOE's Radioactive Waste Management ... 1.8 Demonstrated Progress in Radioactive Waste Management ......

  7. Final Complex Transformation Supplemental Programmatic Environmental...

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

    ... Tommy Rhea Seda Rhodes Narc Ribot Alison Rice Pamela Richard Linda Richards Don ... Seitz E. W. Seols Lee Sessions Sue Severin Anne Shainline Chapter 15 Final Complex ...

  8. Physical mapping of complex genomes

    DOE Patents [OSTI]

    Evans, G.A.

    1993-06-15

    A method for the simultaneous identification of overlapping cosmid clones among multiple cosmid clones and the use of the method for mapping complex genomes are provided. A library of cosmid clones that contains the DNA to be mapped is constructed and arranged in a manner such that individual clones can be identified and replicas of the arranged clones prepared. In preferred embodiments, the clones are arranged in a two dimensional matrix. In such embodiments, the cosmid clones in a row are pooled, mixed probes complementary to the ends of the DNA inserts in the pooled clones are synthesized, hybridized to a first replica of the library. Hybridizing clones, which include the pooled row, are identified. A second portion of clones is prepared by pooling cosmid clones that correspond to a column in the matrix. The second pool thereby includes one clone from the first portion pooled clones. This common clone is located on the replica at the intersection of the column and row. Mixed probes complementary to the ends of the DNA inserts in the second pooled portion of clones are prepared and hybridized to a second replica of the library. The hybridization pattern on the first and second replicas of the library are compared and cross-hybridizing clones, other than the clones in the pooled column and row, that hybridize to identical clones in the first and second replicas are identified. These clones necessarily include DNA inserts that overlap with the DNA insert in the common clone located at the intersection of the pooled row and pooled column. The DNA in the entire library may be mapped by pooling the clones in each of the rows and columns of the matrix, preparing mixed end-specific probes and hybridizing the probes from each row or column to a replica of the library. Since all clones in the library are located at the intersection of a column and a row, the overlapping clones for all clones in the library may be identified and a physical map constructed.

  9. NMR Spectroscopic Investigation of Inclusion Complexes between

    Office of Scientific and Technical Information (OSTI)

    Cyclodextrins and the Neurotoxin Tetramethylenedisulfotetramine (TETS) (Journal Article) | SciTech Connect Journal Article: NMR Spectroscopic Investigation of Inclusion Complexes between Cyclodextrins and the Neurotoxin Tetramethylenedisulfotetramine (TETS) Citation Details In-Document Search Title: NMR Spectroscopic Investigation of Inclusion Complexes between Cyclodextrins and the Neurotoxin Tetramethylenedisulfotetramine (TETS) Authors: Mayer, B P ; Albo, R F ; Hok, S ; Valdez, C A

  10. ICD Complex Operations and Maintenance Plan

    SciTech Connect (OSTI)

    Gibson, P. L.

    2007-06-25

    This Operations and Maintenance (O&M) Plan describes how the Idaho National Laboratory (INL) conducts operations, winterization, and startup of the Idaho CERCLA Disposal Facility (ICDF) Complex. The ICDF Complex is the centralized INL facility responsible for the receipt, storage, treatment (as necessary), and disposal of INL Comprehensive Environmental Response, Compensation and Liability Act (CERCLA) remediation waste.

  11. Advanced Facades, Daylighting, and Complex Fenestration Systems |

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

    Department of Energy Facades, Daylighting, and Complex Fenestration Systems Advanced Facades, Daylighting, and Complex Fenestration Systems Emerging Technologies Project for the 2013 Building Technologies Office's Program Peer Review PDF icon emrgtech21_lee_040413.pdf More Documents & Publications Window Daylighting Demo High Performance Window Attachments Fenestration Software Tools

  12. Preparation of cerium halide solvate complexes

    DOE Patents [OSTI]

    Vasudevan, Kalyan V; Smith, Nickolaus A; Gordon, John C; McKigney, Edward A; Muenchaussen, Ross E

    2013-08-06

    Crystals of a solvated cerium(III) halide solvate complex resulted from a process of forming a paste of a cerium(III) halide in an ionic liquid, adding a solvent to the paste, removing any undissolved solid, and then cooling the liquid phase. Diffusing a solvent vapor into the liquid phase also resulted in crystals of a solvated cerium(III) halide complex.

  13. Visual language recognition with a feed-forward network of spiking neurons

    SciTech Connect (OSTI)

    Rasmussen, Craig E; Garrett, Kenyan; Sottile, Matthew; Shreyas, Ns

    2010-01-01

    An analogy is made and exploited between the recognition of visual objects and language parsing. A subset of regular languages is used to define a one-dimensional 'visual' language, in which the words are translational and scale invariant. This allows an exploration of the viewpoint invariant languages that can be solved by a network of concurrent, hierarchically connected processors. A language family is defined that is hierarchically tiling system recognizable (HREC). As inspired by nature, an algorithm is presented that constructs a cellular automaton that recognizes strings from a language in the HREC family. It is demonstrated how a language recognizer can be implemented from the cellular automaton using a feed-forward network of spiking neurons. This parser recognizes fixed-length strings from the language in parallel and as the computation is pipelined, a new string can be parsed in each new interval of time. The analogy with formal language theory allows inferences to be drawn regarding what class of objects can be recognized by visual cortex operating in purely feed-forward fashion and what class of objects requires a more complicated network architecture.

  14. Proposed docking interface between peptidoglycan and the target recognition domain of zoocin A

    SciTech Connect (OSTI)

    Chen, Yinghua; Simmonds, Robin S.; Timkovich, Russell

    2013-11-15

    Highlights: •Peptidoglycan added to zoocin rTRD perturbs NMR resonances around W115. •Simulations predict docking to a shallow surface groove near W115. •The docking interface is similar to mammalian antibody–antigen sites. •EDTA binds to a distinct surface site. -- Abstract: A docking model is proposed for the target recognition domain of the lytic exoenzyme zoocin A with the peptidoglycan on the outer cell surface of sensitive bacterial strains. Solubilized fragments from such peptidoglycans perturb specific backbone and side chain amide resonances in the recombinant form of the domain designated rTRD as detected in two-dimensional {sup 1}H–{sup 15}N correlation NMR spectra. The affected residues comprise a shallow surface cleft on the protein surface near W115, N53, N117, and Q105 among others, which interacts with the peptide portion of the peptidoglycan. Calculations with AutoDock Vina provide models of the docking interface. There is approximate homology between the rTDR-peptidoglycan docking site and the antigen binding site of Fab antibodies with the immunoglobin fold. EDTA was also found to bind to rTRD, but at a site distinct from the proposed peptidoglycan docking site.

  15. Ion Recognition Approach to Volume Reduction of Alkaline Tank Waste by Separation of Sodium Salts

    SciTech Connect (OSTI)

    Levitskaia, Tatiana G.; Lumetta, Gregg J.; Moyer, Bruce A.; Bonnesen, Peter V.

    2005-06-01

    The purpose of this research involving collaboration between Oak Ridge National Laboratory (ORNL) and Pacific Northwest National Laboratory (PNNL) is to explore new approaches to the separation of sodium hydroxide, sodium nitrate, and other sodium salts from high-level alkaline tank waste. The principal potential benefit is a major reduction in disposed waste volume, obviating the building of expensive new waste tanks and reducing the costs of low-activity waste immobilization. Principles of ion recognition are being researched toward discovery of liquid-liquid extraction systems that selectively separate sodium hydroxide and sodium nitrate from other waste components. The successful concept of pseudohydroxide extraction using fluorinated alcohols and phenols is being developed at ORNL and PNNL toward a greater understanding of the controlling equilibria, role of solvation, and of synergistic effects involving crown ethers. Synthesis efforts are being directed toward enhanced sodium binding by crown ethers, both neutral and proton-ionizable. Studies with real tank waste at PNNL will provide feedback toward solvent compositions that have promising properties.

  16. Supramolecular Chemistry of Selective Anion Recognition for Anions of Environmental Relevance

    SciTech Connect (OSTI)

    Bowman-James, Kristin; Wilson, George S.; Moyer, Bruce

    2002-06-04

    This project involves the design and synthesis of receptors for anions of environmental importance, including emphasis on high level and low activity waste. Polyammonium macrocycles as receptors and nitrate as target anion were the focus of the first phase of this project. A second phase involved the synthesis of lipophilic amide based receptors in order to increase the potential for obtaining workable receptors for both separations and sensing applications on site. In the renewal of this project, anions have been extended especially to include selective recognition and binding of sulfate. A three tier approach was employed: I. Design, synthesis, and physical and structural characterization of receptors; II. Examination of the technique known as ITIES, Interface Between Two Immiscible Electrolyte Solutions, as an analytical probe for anion analysis; and III. Separations studies using lipophilic amide receptors for anion binding done at the Oak Ridge National Laboratory by Bruce Moyer. The result of this program will impact a variety of needs of the Environmental Science Management Program in both sensing and separations areas.

  17. Ion Recognition Approach to Volume Reduction of Alkaline Tank Waste by Separation of Sodium Salts

    SciTech Connect (OSTI)

    Moyer, Bruce A.; Bonnesen, Peter V.; Custelcean, Radu; Delmau, Laetitia H.; Engle, Nancy L.; Kang, Hyun-Ah; Keever, Tamara J.; Marchand, Alan P.; Gadthula, Srinivas; Gore, Vinayak K.; Huang, Zilin; Sivappa, Rasapalli; Tirunahari, Pavan K.; Levitskaia, Tatiana G.; Lumetta, Gregg J.

    2005-09-26

    The purpose of this research involving collaboration between Oak Ridge National Laboratory (ORNL) and Pacific Northwest National Laboratory (PNNL) is to explore new approaches to the separation of sodium hydroxide, sodium nitrate, and other sodium salts from high-level alkaline tank waste. The principal potential benefit is a major reduction in disposed waste volume, obviating the building of expensive new waste tanks and reducing the costs of vitrification. Principles of ion recognition are being researched toward discovery of liquid-liquid extraction systems that selectively separate sodium hydroxide and sodium nitrate from other waste components. The successful concept of pseudo hydroxide extraction using fluorinated alcohols and phenols is being developed at ORNL and PNNL toward a greater understanding of the controlling equilibria, role of solvation, and of synergistic effects involving crown ethers. Synthesis efforts are being directed toward enhanced sodium binding by crown ethers, both neutral and proton-ionizable. Studies with real tank waste at PNNL will provide feedback toward solvent compositions that have promising properties.

  18. Supramolecular Chemistry of Selective Anion Recognition for Anions of Environmental Relevance

    SciTech Connect (OSTI)

    Moyer, Bruce a.; Bostick, Debra A.; Fowler, Christopher J.; Kang, Hyun-Ah; Ruas, Alexandre; Delmau, Laetitia H.; Haverlock, Tamara J.; Llinares, Jose M.; Hossain, Alamgir; Kang, S. O.; Bowman-James, Kristin; Shriver, James A.; Marquez, Manuel; Sessler, Jonathan L.

    2005-09-22

    The major thrust of this project led by the University of Kansas (Prof. Kristin Bowman-Jones) entails the exploration of the principles of recognition and separation of sulfate by the design, synthesis, and testing of novel sulfate extractants. A key science need for the cleanup of tank wastes at Hanford has been identified in developing methods to separate those bulk waste components that have low solubilities in borosilicate glass. Sulfate has been identified as a particularly difficult and expensive problem in that its concentration in the waste is relatively high, its solubility in glass is especially low, and it interferes with the performance of both vitrification equipment and the glass waste form. The new extractants will be synthesized by the University of Kansas and the University of Texas, Austin. Oak Ridge National Laboratory (ORNL) is subjecting the new extractants to experiments that will determine their properties and effectiveness in separating sulfate from the major competing anions in the waste, especially nitrate. Such experiments will entail primarily liquid-liquid extraction. Current efforts focus on exciting new systems in which the anion receptors act as synergists for anion exchange.

  19. Structural and Biophysical Studies of the Human IL-7/IL-7R[alpha] Complex

    SciTech Connect (OSTI)

    McElroy, Craig A.; Dohm, Julie A.; Walsh, Scott T.R.; (OSU); (UPENN)

    2009-03-06

    IL-7 and IL-7R{alpha} bind the {gamma}{sub c} receptor, forming a complex crucial to several signaling cascades leading to the development and homeostasis of T and B cells. We report that the IL-7R{alpha} ectodomain uses glycosylation to modulate its binding constants to IL-7, unlike the other receptors in the {gamma}{sub c} family. IL-7 binds glycosylated IL-7R{alpha} 300-fold more tightly than unglycosylated IL-7R{alpha}, and the enhanced affinity is attributed primarily to an accelerated on rate. Structural comparison of IL-7 in complex to both forms of IL-7R{alpha} reveals that glycosylation does not participate directly in the binding interface. The SCID mutations of IL-7R{alpha} locate outside the binding interface with IL-7, suggesting that the expressed mutations cause protein folding defects in IL-7R{alpha}. The IL-7/IL-7R{alpha} structures provide a window into the molecular recognition events of the IL-7 signaling cascade and provide sites to target for designing new therapeutics to treat IL-7-related diseases.

  20. Complex Oxides > Research > The Energy Materials Center at Cornell

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

    Complex Oxides In This Section Combinatorial Analysis Nanoparticles Nanostructured Systems Deposition Complex Oxides Combinatorial Analysis Nanoparticles Nanostructured Systems...

  1. Notice of Intent to Revise DOE O 331.1C, Chg 3, Employee Performance Management and Recognition Program

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    The revision incorporates recommendations from the FY12 National Council on Federal Labor-Management Relation's "Goals-Engagement-Accountability-Results (GEAR)" report and program requirements currently contained in the DOE Supervisory/Non-Supervisory Employee Performance Management and Recognition Desk Reference (Desk Reference) such as the DOE Monetary Awards Scale, as well as program requirements that have been established via memoranda since the Order was revised in October 2010.

  2. Notice of Intent to Revise DOE O 331.1C Chg 3, Employee Performance Management and Recognition Program

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2015-03-20

    The revision incorporates recommendations from the FY12 National Council on Federal Labor-Management Relation's "Goals-Engagement-Accountability-Results (GEAR)" report and program requirements currently contained in the DOE Supervisory/Non-Supervisory Employee Performance Management and Recognition Desk Reference (Desk Reference) such as the DOE Monetary Awards Scale, as well as program requirements that have been established via memoranda since the Order was revised in October 2010.

  3. Microsoft PowerPoint - 12_BRIAN_HORN_NRC and DOE recognition May 13 2014.ppt [Compatibility Mode]

    National Nuclear Security Administration (NNSA)

    3 Recognitions Brian Horn, NRC Pete Dessaules, DOE/NNSA NRC requirements for Inventory Reporting and Reconciliation  Report Inventory to NMMSS * < 30 days - IAEA selected facilities, Cat-1 sites * < 45 days - Cat-2 sites * < 60 days - Reactors, Cat-3 sites, >350 gram licensees * Prior to March 31 st - licensees authorized < 350 grams fissile * As of Sept. 30 th - Foreign obligated source material holdings  Reconcile inventory with NMMSS within 30 days of submission 2

  4. Spin Glasses: Old and New Complexity

    SciTech Connect (OSTI)

    Stein, D. L.

    2011-09-22

    Spin glasses are disordered magnetic systems that exhibit a variety of properties that are characteristic of 'complex systems'. After a brief review of the systems themselves, I will discuss how spin glass concepts have found use in and, in some cases, further advanced areas such as computer science, biology, and other fields: what one might term 'old complexity'. I will then turn to a discussion of more recent concepts and ideas that have flowed from studies of spin glasses, and using these introduce a proposal for a kind of 'new complexity'.

  5. Ion Recognition Approach to Volume Reduction of Alkaline Tank Waste by Separation of Sodium Salts

    SciTech Connect (OSTI)

    Moyer, Bruce A.; Marchand, Alan P.; Lumetta, Gregg J.

    2004-06-30

    In this project, now completing its third year of its second renewal period, a collaborative project involving Oak Ridge National Laboratory, Pacific Northwest National Laboratory, and the University of North Texas has been addressing outstanding questions regarding the separation of the bulk sodium constituents of alkaline tank waste. The principal potential benefit of this research is a major reduction in the volume of radioactive tank waste, obviating the building of expensive new tanks and reducing the costs of vitrification. As a general approach, principles of ion recognition are being explored toward discovery and basic understanding of liquid-liquid extraction systems that selectively separate sodium hydroxide and sodium salts from waste-like matrices. Questions being addressed pertain to applicable extraction equilibria and how extraction properties relate to extractant structure. Progress has included the elucidation of the promising concept of pseudo hydroxide extraction (PHE), demonstration of crown-ether synergized PHE, demonstration of combined sodium hydroxide/sodium nitrate separation, and synthesis of novel ditopic receptors for ditopic PHE. In future efforts (pending renewal), a thermochemical study of PHE relating extractant acidity to extraction strength is proposed, and this study will be extended to systems containing crown ethers, including proton-ionizable ones. A series of crown ethers will be synthesized for this purpose and to investigate the extraction of bulk sodium salts (e.g., nitrate, nitrite, and sulfate), possibly in combination with sodium hydroxide. Simple proof-of-principle tests with real tank waste at PNNL will provide feedback toward solvent designs that have desirable properties. In view of the upcoming milestone of completion of the second renewal period, this report will, in addition to providing a summary of the past year's progress, summarize all of the work completed since the start of this project.

  6. Contact Us | Y-12 National Security Complex

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

    Contact Us Contact Us Mail and delivery address information: Y-12 National Security Complex P.O. Box 2009 Oak Ridge, TN 37831-8245* Non-mail deliveries: Bear Creek Road P.O. Box...

  7. EM Corporate Performance Measures- Complex Wide

    Broader source: Energy.gov [DOE]

    The corporate (i.e., relating to the entire DOE-EM complex) measures are tracked in the context of the total measure (life-cycle) necessary to complete cleanup of each site, as well as the EM...

  8. About | Y-12 National Security Complex

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

    About The Y-12 National Security Complex is a premier manufacturing facility dedicated to making our nation and the world a safer place and plays a vital role in the Department of...

  9. Y-12 National Security Complex Cleanup

    Broader source: Energy.gov [DOE]

    This fact sheet provides an update on all of the current cleanup projects at the site, and it also lists the major projects completed at the Y-12 National Security Complex.

  10. Triamine chelants, their derivatives, complexes and conjugates

    DOE Patents [OSTI]

    Troutner, D.E.; John, C.S.; Pillai, M.R.A.

    1995-03-07

    A group of functionalized triamine chelants and their derivatives that form complexes with radioactive metal ions are disclosed. The complexes can be covalently attached to a protein or an antibody or antibody fragment and used for therapeutic and/or diagnostic purposes. The chelants are of the formula, as shown in the accompanying diagrams, wherein n, m, R, R{sup 1}, R{sup 2} and L are defined in the specification.

  11. Complex fragment emission from hot compound nuclei

    SciTech Connect (OSTI)

    Moretto, L.G.

    1986-03-01

    The experimental evidence for compound nucleus emission of complex fragments at low energies is used to interpret the emission of the same fragments at higher energies. The resulting experimental picture is that of highly excited compound nuclei formed in incomplete fusion processes which decay statistically. In particular, complex fragments appear to be produced mostly through compound nucleus decay. In the appendix a geometric-kinematic theory for incomplete fusion and the associated momentum transfer is outlined. 10 refs., 19 figs.

  12. Triamine chelants, their derivatives, complexes and conjugates

    DOE Patents [OSTI]

    Troutner, David E.; John, Christy S.; Pillai, Maroor R. A.

    1995-01-01

    A group of functionalized triamine chelants and their derivatives that form complexes with radioactive metal ions are disclosed. The complexes can be covalently attached to a protein or an antibody or antibody fragment and used for therapeutic and/or diagnostic purposes. The chelants are of the formula: ##STR1## wherein n, m, R, R.sup.1, R.sup.2 and L are defined in the specification.

  13. SEPARATION PROCESS USING COMPLEXING AND ADSORPTION

    DOE Patents [OSTI]

    Spedding, J.H.; Ayers, J.A.

    1958-06-01

    An adsorption process is described for separating plutonium from a solution of neutron-irradiated uranium containing ions of a compound of plutonium and other cations. The method consists of forming a chelate complex compound with plutoniunn ions in the solution by adding a derivative of 8- hydroxyquinoline, which derivative contains a sulfonic acid group, and adsorbing the remaining cations from the solution on a cation exchange resin, while the complexed plutonium remains in the solution.

  14. RECOVERY OF URANIUM BY SECONDARY XANTHATE COMPLEXING

    DOE Patents [OSTI]

    Neville, O.K.

    1959-09-01

    A method is described for separating and recovering uranium values contained in an acidic aqueous solution together with thorium or protactinium values. In accordance with the invention, the acidic solution containing uranium in the uranyl form is contacted with an organic xanthate. The xanthate forms a urano-xanthate complex but is substantially non-reactive with thorium and protactinium. The urano-xanthate complex is recovered by organic solvent extraction.

  15. Phase distribution in complex geometry conduits

    SciTech Connect (OSTI)

    Lahey, R.T. Jr.; Lopez de Bertodano, M.; Jones, O.C. Jr.

    1992-12-31

    Some of the most important and challenging problems in two-phase flow today have to do with the understanding and prediction of multidimensional phenomena, in particular, lateral phase distribution in both simple and complex geometry conduits. A prior review paper summarized the state-of-the-art in the understanding of phase distribution phenomena, and the ability to perform mechanistic multidimensional predictions. The purpose of this paper is to update that review, with particular emphasis on complex geometry conduit predictive capabilities.

  16. Foliated breccias in the active Portuguese Bend landslide complex, California: bearing on melange genesis

    SciTech Connect (OSTI)

    Larue, D.K.; Hudleston, P.J.

    1987-05-01

    The active portion of the Portuguese Bend landslide complex is approximately 3 km/sup 2/ in area and 30-50 m thick. Measured displacement rates range from less than one to greater than 30 mm/day on different parts of the landslide, with total displacements over the last 30 yrs ranging from about 10 to greater than 150 m. Six types of breccia, each locally with a foliated matrix, were recognized in the active landslide complex and are absent outside the landslide complex. Slide-body breccias are of two types, the first formed by extensional fracturing during bulk pure shear at the top of the landslide (slide-top breccia) and the second by flow of tuffaceous shales and fracture of embedded siliceous shales during simple shear deep in the landslide to the basal decollement (slide-bottom breccias). Slide-margin breccias, also in simple shear, are produced on the lateral margins of individual slide blocks accompanying wrench-fault motion. Other breccias (fault-ramp breccias) are formed during motion over ramps. Colluvial deposits within tension gashes (crack-fill breccias) and at the toe of the slide (slide-toe breccias) represent a fifth breccia type. Diapirs originating from over-pressured zones at the slide base also contain breccia. Recognition of different breccia types in ancient rocks would be difficult, because fabrics in the different types are similar. Foliations are defined by: scaly cleavage, compositional banding and color banding (in shear zones), stretched mud clasts, and aligned hard grains. Foliated breccias are synonymous with melanges. The authors regard the six breccia types described herein as representing the principal types of melange that occur in ancient accretionary settings.

  17. Mechanism of Bacterial Cell-Surface Attachment Revealed by the Structure of Cellulosomal Type II Cohesin-dockerin Complex

    SciTech Connect (OSTI)

    Adams,J.; Pal, G.; Jia, Z.; Smith, S.

    2006-01-01

    Bacterial cell-surface attachment of macromolecular complexes maintains the microorganism in close proximity to extracellular substrates and allows for optimal uptake of hydrolytic byproducts. The cellulosome is a large multienzyme complex used by many anaerobic bacteria for the efficient degradation of plant cell-wall polysaccharides. The mechanism of cellulosome retention to the bacterial cell surface involves a calcium-mediated protein-protein interaction between the dockerin (Doc) module from the cellulosomal scaffold and a cohesin (Coh) module of cell-surface proteins located within the proteoglycan layer. Here, we report the structure of an ultra-high-affinity (K{sub a} = 1.44 x 10{sup 10} M{sup 1-}) complex between type II Doc, together with its neighboring X module from the cellulosome scaffold of Clostridium thermocellum, and a type II Coh module associated with the bacterial cell surface. Identification of X module-Doc and X module-Coh contacts reveal roles for the X module in Doc stability and enhanced Coh recognition. This extremely tight interaction involves one face of the Coh and both helices of the Doc and comprises significant hydrophobic character and a complementary extensive hydrogen-bond network. This structure represents a unique mechanism for cell-surface attachment in anaerobic bacteria and provides a rationale for discriminating between type I and type II Coh modules.

  18. ICDF Complex Remedial Action Work Plan

    SciTech Connect (OSTI)

    W. M. Heileson

    2006-12-01

    This Remedial Action Work Plan provides the framework for operation of the Idaho Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) Disposal Facility Complex (ICDF). This facility includes (a) an engineered landfill that meets the substantial requirements of DOE Order 435.1, Resource Conservation and Recovery Act Subtitle C, Idaho Hazardous Waste Management Act, and Toxic Substances Control Act polychlorinated biphenyl landfill requirements; (b) centralized receiving, inspections, administration, storage/staging, and treatment facilities necessary for CERCLA investigation-derived, remedial, and removal waste at the Idaho National Laboratory (INL) prior to final disposition in the disposal facility or shipment off-Site; and (c) an evaporation pond that has been designated as a corrective action management unit. The ICDF Complex, including a buffer zone, will cover approximately 40 acres, with a landfill disposal capacity of approximately 510,000 yd3. The ICDF Complex is designed and authorized to accept INL CERCLA-generated wastes, and includes the necessary subsystems and support facilities to provide a complete waste management system. This Remedial Action Work Plan presents the operational approach and requirements for the various components that are part of the ICDF Complex. Summaries of the remedial action work elements are presented herein, with supporting information and documents provided as appendixes to this work plan that contain specific detail about the operation of the ICDF Complex. This document presents the planned operational process based upon an evaluation of the remedial action requirements set forth in the Operable Unit 3-13 Final Record of Decision.

  19. TU-C-17A-03: An Integrated Contour Evaluation Software Tool Using Supervised Pattern Recognition for Radiotherapy

    SciTech Connect (OSTI)

    Chen, H; Tan, J; Kavanaugh, J; Dolly, S; Gay, H; Thorstad, W; Anastasio, M; Altman, M; Mutic, S; Li, H

    2014-06-15

    Purpose: Radiotherapy (RT) contours delineated either manually or semiautomatically require verification before clinical usage. Manual evaluation is very time consuming. A new integrated software tool using supervised pattern contour recognition was thus developed to facilitate this process. Methods: The contouring tool was developed using an object-oriented programming language C# and application programming interfaces, e.g. visualization toolkit (VTK). The C# language served as the tool design basis. The Accord.Net scientific computing libraries were utilized for the required statistical data processing and pattern recognition, while the VTK was used to build and render 3-D mesh models from critical RT structures in real-time and 360° visualization. Principal component analysis (PCA) was used for system self-updating geometry variations of normal structures based on physician-approved RT contours as a training dataset. The inhouse design of supervised PCA-based contour recognition method was used for automatically evaluating contour normality/abnormality. The function for reporting the contour evaluation results was implemented by using C# and Windows Form Designer. Results: The software input was RT simulation images and RT structures from commercial clinical treatment planning systems. Several abilities were demonstrated: automatic assessment of RT contours, file loading/saving of various modality medical images and RT contours, and generation/visualization of 3-D images and anatomical models. Moreover, it supported the 360° rendering of the RT structures in a multi-slice view, which allows physicians to visually check and edit abnormally contoured structures. Conclusion: This new software integrates the supervised learning framework with image processing and graphical visualization modules for RT contour verification. This tool has great potential for facilitating treatment planning with the assistance of an automatic contour evaluation module in avoiding unnecessary manual verification for physicians/dosimetrists. In addition, its nature as a compact and stand-alone tool allows for future extensibility to include additional functions for physicians’ clinical needs.

  20. Design tools for complex dynamic security systems.

    SciTech Connect (OSTI)

    Byrne, Raymond Harry; Rigdon, James Brian; Rohrer, Brandon Robinson; Laguna, Glenn A.; Robinett, Rush D. III; Groom, Kenneth Neal; Wilson, David Gerald; Bickerstaff, Robert J.; Harrington, John J.

    2007-01-01

    The development of tools for complex dynamic security systems is not a straight forward engineering task but, rather, a scientific task where discovery of new scientific principles and math is necessary. For years, scientists have observed complex behavior but have had difficulty understanding it. Prominent examples include: insect colony organization, the stock market, molecular interactions, fractals, and emergent behavior. Engineering such systems will be an even greater challenge. This report explores four tools for engineered complex dynamic security systems: Partially Observable Markov Decision Process, Percolation Theory, Graph Theory, and Exergy/Entropy Theory. Additionally, enabling hardware technology for next generation security systems are described: a 100 node wireless sensor network, unmanned ground vehicle and unmanned aerial vehicle.

  1. Minimal five dimensional supergravities and complex geometries

    SciTech Connect (OSTI)

    Herdeiro, Carlos A. R.

    2010-07-28

    We discuss the relation between solutions admitting Killing spinors of minimal super-gravities in five dimensions, both timelike and null, and complex geometries. For the timelike solutions the results may be summarised as follows. In the ungauged case (vanishing cosmological constant {Lambda} 0) the solutions are determined in terms of a hyper-Kaehler base space; in the gauged case ({Lambda}<0) the complex geometry is Kaehler; in the de Sitter case ({Lambda}>0) the complex geometry is hyper-Kaehler with torsion (HKT). For the null solutions we shall focus on the de Sitter case, for which the solutions are determined by a constrained Einstein-Weyl 3-geometry called Gauduchon-Tod space. The method for constructing explicit solutions is discussed in each case.

  2. Apparatus and method for identification and recognition of an item with ultrasonic patterns from item subsurface micro-features

    DOE Patents [OSTI]

    Perkins, R.W.; Fuller, J.L.; Doctor, S.R.; Good, M.S.; Heasler, P.G.; Skorpik, J.R.; Hansen, N.H.

    1995-09-26

    The present invention is a means and method for identification and recognition of an item by ultrasonic imaging of material microfeatures and/or macrofeatures within the bulk volume of a material. The invention is based upon ultrasonic interrogation and imaging of material microfeatures within the body of material by accepting only reflected ultrasonic energy from a preselected plane or volume within the material. An initial interrogation produces an identification reference. Subsequent new scans are statistically compared to the identification reference for making a match/non-match decision. 15 figs.

  3. Apparatus and method for identification and recognition of an item with ultrasonic patterns from item subsurface micro-features

    DOE Patents [OSTI]

    Perkins, Richard W.; Fuller, James L.; Doctor, Steven R.; Good, Morris S.; Heasler, Patrick G.; Skorpik, James R.; Hansen, Norman H.

    1995-01-01

    The present invention is a means and method for identification and recognition of an item by ultrasonic imaging of material microfeatures and/or macrofeatures within the bulk volume of a material. The invention is based upon ultrasonic interrogation and imaging of material microfeatures within the body of material by accepting only reflected ultrasonic energy from a preselected plane or volume within the material. An initial interrogation produces an identification reference. Subsequent new scans are statistically compared to the identification reference for making a match/non-match decision.

  4. More Recycling Means Less Waste for Complex

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

    Recycling Means Less Waste for Complex What do batteries, lead bricks, and mineral oil have in common? They are all on the list of recently recycled materials at the Nevada National Security Site (NNSS). The goal of these recycling efforts is to minimize waste volumes at the site and encourage the repurposing of materials across the U.S. Department of Energy (DOE) Complex. In September 2011, a total of 33,000 pounds of lead was shipped from the NNSS to the recycling company, Toxco Inc. A portion

  5. SEP Request for Approval Form 3 - Other Complex Regression Model...

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

    3 - Other Complex Regression Model Rationale SEP Request for Approval Form 3 - Other Complex Regression Model Rationale File SEP-Request-for-Approval-Form-3Other-Complex-Regressio...

  6. Complex States, Emergent Phenomena & Superconductivity in Intermetallic &

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

    Complex Management Team The Sandia Field Office serves as the landlord of the NNSA Albuquerque Complex facilities. The Sandia Field Office's Complex Management Team is responsible for providing security, safety, emergency management, as well as facilities and project management for the tenants at the NNSA Albuquerque Complex facilities. In addition, the Complex Management Team provides management and oversight of support contracts for the NNSA Albuquerque Complex facilities including: building

  7. Enterprise Assessments Review of the Y-12 National Security Complex...

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

    Enterprise Assessments Review of the Y-12 National Security Complex 2014 Site-Level Exercise - January 2015 January, 2015 Review of the Y-12 National Security Complex 2014 ...

  8. Enterprise Assessments Review of the Y-12 National Security Complex...

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

    Enterprise Assessments Review of the Y-12 National Security Complex Emergency Management ... Security Administration's (NNSA) Y-12 National Security Complex (Y-12) exercise program. ...

  9. Independent Oversight Inspection, Y-12 National Security Complex...

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

    Y-12 National Security Complex - April 2003 Independent Oversight Inspection, Y-12 National Security Complex - April 2003 April 2003 Inspection of Environment, Safety, and Health ...

  10. The Arabidopsis Cellulose Synthase Complex: A Proposed Hexamer...

    Office of Scientific and Technical Information (OSTI)

    Synthase Complex: A Proposed Hexamer of CESA Trimers in an Equimolar Stoichiometry Citation Details In-Document Search Title: The Arabidopsis Cellulose Synthase Complex: A ...

  11. ADR Lunchtime Program: MEDIATING COMPLEX DISPUTES WITH THE GOVERNMENT...

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

    MEDIATING COMPLEX DISPUTES WITH THE GOVERNMENT - OPPORTUNITIES AND CHALLENGES ADR Lunchtime Program: MEDIATING COMPLEX DISPUTES WITH THE GOVERNMENT - OPPORTUNITIES AND CHALLENGES ...

  12. Twisting phonons in complex crystals with quasi-one-dimensional...

    Office of Scientific and Technical Information (OSTI)

    Twisting phonons in complex crystals with quasi-one-dimensional substructures Twisting Phonons in Higher Manganese Silicides with a Complex Nowotny Chimney Ladder Structure Prev ...

  13. Recovery Act Exceeds Major Cleanup Milestone, DOE Complex Now...

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

    Recovery Act Exceeds Major Cleanup Milestone, DOE Complex Now 74 Percent Remediated Recovery Act Exceeds Major Cleanup Milestone, DOE Complex Now 74 Percent Remediated The Office ...

  14. PNNL: Mechanistic-Based Ductility Prediction for Complex Mg Castings...

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

    PNNL: Mechanistic-Based Ductility Prediction for Complex Mg Castings PNNL: Mechanistic-Based Ductility Prediction for Complex Mg Castings 2012 DOE Hydrogen and Fuel Cells Program ...

  15. Quzhou Tadi Hydro Complex Development Co Ltd | Open Energy Information

    Open Energy Info (EERE)

    Quzhou Tadi Hydro Complex Development Co Ltd Jump to: navigation, search Name: Quzhou Tadi Hydro Complex Development Co., Ltd. Place: Quzhou, Zhejiang Province, China Zip: 324022...

  16. Zhejiang Longyou Xiaoxitan Hydro Complex Development Co Ltd ...

    Open Energy Info (EERE)

    Longyou Xiaoxitan Hydro Complex Development Co Ltd Jump to: navigation, search Name: Zhejiang Longyou Xiaoxitan Hydro Complex Development Co., Ltd Place: Quzhou, Zhejiang Province,...

  17. Seeing Stripes: Competition and Complexity in High-Temperature...

    Office of Scientific and Technical Information (OSTI)

    Seeing Stripes: Competition and Complexity in High-Temperature Superconductors Citation Details In-Document Search Title: Seeing Stripes: Competition and Complexity in...

  18. Independent Oversight Assessment, Y-12 National Security Complex...

    Office of Environmental Management (EM)

    Y-12 National Security Complex - June 2012 Independent Oversight Assessment, Y-12 National Security Complex - June 2012 June 2012 Assessment of Nuclear Safety Culture at the Y-12...

  19. Uranium and thorium complexes of the phosphaethynolate ion (Journal...

    Office of Scientific and Technical Information (OSTI)

    Uranium and thorium complexes of the phosphaethynolate ion Citation Details In-Document Search Title: Uranium and thorium complexes of the phosphaethynolate ion You are ...

  20. Electricity Market Complex Adaptive System | Open Energy Information

    Open Energy Info (EERE)

    Complex Adaptive System Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Electricity Market Complex Adaptive System AgencyCompany Organization: Argonne National...

  1. Complex Geometry Creation and Turbulent Conjugate Heat Transfer...

    Office of Scientific and Technical Information (OSTI)

    Conference: Complex Geometry Creation and Turbulent Conjugate Heat Transfer Modeling Citation Details In-Document Search Title: Complex Geometry Creation and Turbulent Conjugate ...

  2. Independent Oversight Inspection, Y-12 National Security Complex...

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

    Complex, Volume I - September 2005 Independent Oversight Inspection, Y-12 National Security Complex, Volume I - September 2005 September 2005 Inspection of Environment, Safety, and...

  3. Independent Oversight Inspection, Y-12 National Security Complex...

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

    Complex - June 2008 Independent Oversight Inspection, Y-12 National Security Complex - June 2008 June 2008 Inspection of Environment, Safety, and Health Programs at the Y-12...

  4. Independent Oversight Appraisal, Y-12 National Security Complex...

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

    Appraisal, Y-12 National Security Complex - May 2013 Independent Oversight Appraisal, Y-12 National Security Complex - May 2013 May 2013 Appraisal of the Uranium Processing...

  5. Complex temperature evolution of the electronic structure of...

    Office of Scientific and Technical Information (OSTI)

    Complex temperature evolution of the electronic structure of CaFesub 2Assub 2 Citation Details In-Document Search Title: Complex temperature evolution of the electronic ...

  6. Alkene epoxidation employing metal nitro complexes

    DOE Patents [OSTI]

    Andrews, M.A.; Cheng, C.W.; Kelley, K.P.

    1982-07-15

    Process for converting alkenes to form epoxides utilizes transition metal nitro complexes of the formula: M(RCN)/sub 2/XNO/sub 2/ wherein M is palladium or platinum, R is an alkyl or aryl group containing up to 12 carbon atoms, and X is a monoanionic, monodentate ligand such as chlorine, optionally in the presence of molecular oxygen.

  7. DOE complex buried waste characterization assessment

    SciTech Connect (OSTI)

    Kaae, P.S.; Holter, G.M.; Garrett, S.M.K.

    1993-01-01

    The work described in this report was conducted by Pacific Northwest Laboratory to provide information to the Buried Waste Integrated Demonstration (BWID) program. The information in this report is intended to provide a complex-wide planning base for th.e BWID to ensure that BWID activities are appropriately focused to address the range of remediation problems existing across the US Department of Energy (DOE) complex. This report contains information characterizing the 2.1 million m[sup 3] of buried and stored wastes and their associated sites at six major DOE facilities. Approximately 85% of this waste is low-level waste, with about 12% TRU or TRU mixed waste; the remaining 3% is low-level mixed waste. In addition, the report describes soil contamination sites across the complex. Some of the details that would be useful in further characterizing the buried wastes and contaminated soil sites across the DOE complex are either unavailable or difficult to locate. Several options for accessing this information and/or improving the information that is available are identified in the report. This document is a companion to Technology Needs for Remediation: Hanford and Other DOE Sites, PNL-8328 (Stapp 1993).

  8. A Multifaceted Mathematical Approach for Complex Systems

    SciTech Connect (OSTI)

    Alexander, F.; Anitescu, M.; Bell, J.; Brown, D.; Ferris, M.; Luskin, M.; Mehrotra, S.; Moser, B.; Pinar, A.; Tartakovsky, A.; Willcox, K.; Wright, S.; Zavala, V.

    2012-03-07

    Applied mathematics has an important role to play in developing the tools needed for the analysis, simulation, and optimization of complex problems. These efforts require the development of the mathematical foundations for scientific discovery, engineering design, and risk analysis based on a sound integrated approach for the understanding of complex systems. However, maximizing the impact of applied mathematics on these challenges requires a novel perspective on approaching the mathematical enterprise. Previous reports that have surveyed the DOE's research needs in applied mathematics have played a key role in defining research directions with the community. Although these reports have had significant impact, accurately assessing current research needs requires an evaluation of today's challenges against the backdrop of recent advances in applied mathematics and computing. To address these needs, the DOE Applied Mathematics Program sponsored a Workshop for Mathematics for the Analysis, Simulation and Optimization of Complex Systems on September 13-14, 2011. The workshop had approximately 50 participants from both the national labs and academia. The goal of the workshop was to identify new research areas in applied mathematics that will complement and enhance the existing DOE ASCR Applied Mathematics Program efforts that are needed to address problems associated with complex systems. This report describes recommendations from the workshop and subsequent analysis of the workshop findings by the organizing committee.

  9. Quantum electrodynamics with complex fermion mass

    SciTech Connect (OSTI)

    McKellar, B.J.H. . School of Physics); Wu, D.D. . School of Physics Academia Sinica, Beijing, BJ . Inst. of High Energy Physics Superconducting Super Collider Lab., Dallas, TX )

    1991-08-01

    The quantum electrodynamics (QED) with a complex fermion mass -- that is, a fermion mass with a chiral phase -- is restudied, together with its chirally rotated version. We show how fake electric dipole moment can be obtained and how to avoid it. 10 refs.

  10. Nonproliferation Test and Evaluation Complex - NPTEC

    ScienceCinema (OSTI)

    None

    2015-01-09

    The Nonproliferation Test and Evaluation Complex, or NPTEC, is the world's largest facility for open air testing of hazardous toxic materials and biological simulants. NPTEC is used for testing, experimentation, and training for technologies that require the release of toxic chemicals or biological simulants into the environment.

  11. Coordinating Tectons: Bipyridyl Terminated Allenylidene Complexes

    SciTech Connect (OSTI)

    Cifuentes, Marie P.; Humphrey, Mark G.; Koutsantonis, George A.; Lengkeek, Nigel A.; Petrie, Simon; Sanford, Vanessa; Schauer, Phil A.; Skelton, Brian W.; Stranger, Robert; White, Allan H.

    2009-01-15

    A series of complexes with {pi}-conjugated carbon chains terminated by bipyridyl moieties has been prepared. These allenylidene complexes were derived from 9-hydroxy-9-ethynyl-4,5-diazafluorene, the preparation of which is reported; the new allenylidene complexes are highly colored with the cumulated carbon chain terminating in a bipyridyl unit providing a site for further coordination. The synthesis, characterization, and X-ray structure determination of trans-[MCl(P{intersection}P){sub 2}{sub {double_bond}}C{sub {double_bond}}C{sub {double_bond}}(4,5-diazafluoren-9-yl)]PF{sub 6} (M = Ru, P{intersection}P = bis(diphenylphosphino)methane (dppm), 1,2-bis(diphenylphosphino)ethane (dppe), 1,2-bis(dimethylphosphino)ethane (dmpe); M = Os, P{intersection}P = dppm) are described. The effect of the variation in metal and ligand on electronic and electrochemical characteristics of these complexes has been investigated by using UV-vis, solution electrochemistry, and a combination of these techniques in spectroelectrochemical experiments. DFT calculations have been performed on trans-[RuCl(P{intersection}P){sub 2}{sub {double_bond}}C{sub {double_bond}}C{sub {double_bond}}(4,5-diazafluoren-9-yl)]{sup q} (P{intersection}P = dppm, bis(dimethylphosphino)methane (dmpm); q = -1, 0, +1, +2) and subsequently solvent-corrected calculations with use of COSMO were also undertaken to examine the nature of electronic transitions in various oxidation states.

  12. Nonproliferation Test and Evaluation Complex - NPTEC

    SciTech Connect (OSTI)

    2014-11-10

    The Nonproliferation Test and Evaluation Complex, or NPTEC, is the world's largest facility for open air testing of hazardous toxic materials and biological simulants. NPTEC is used for testing, experimentation, and training for technologies that require the release of toxic chemicals or biological simulants into the environment.

  13. Genome-Wide Identification and 3D Modeling of Proteins involved in DNA Damage Recognition and Repair (Final Report)

    SciTech Connect (OSTI)

    Abagyan, Ruben; An, Jianghong

    2005-08-12

    DNA Damage Recognition and Repair (DDR&R) proteins play a critical role in cellular responses to low-dose radiation and are associated with cancer. We have performed a systematic, genome-wide computational analysis of genomic data for human genes involved in the DDR&R process. The significant achievements of this project include: 1) Construction of the computational pipeline for searching DDR&R genes, building and validation of 3D models of proteins involved in DDR&R; 2) Functional and structural annotation of the 3D models and generation of comprehensive lists of suggested knock-out mutations; and the development of a method to predict the effects of mutations. Large scale testing of technology to identify novel small binding pockets in protein structures leading to new DDRR inhibitor strategies 3) Improvements of macromolecular docking technology (see the CAPRI 1-3 and 4-5 results) 4) Development of a new algorithm for improved analysis of high-density oligonucleotide arrays for gene expression profiling; 5) Construction and maintenance of the DNA Damage Recognition and Repair Database; 6) Producing 15 research papers (12 published and 3 in preparation).

  14. Reducing computation in an i-vector speaker recognition system using a tree-structured universal background model

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

    McClanahan, Richard; De Leon, Phillip L.

    2014-08-20

    The majority of state-of-the-art speaker recognition systems (SR) utilize speaker models that are derived from an adapted universal background model (UBM) in the form of a Gaussian mixture model (GMM). This is true for GMM supervector systems, joint factor analysis systems, and most recently i-vector systems. In all of the identified systems, the posterior probabilities and sufficient statistics calculations represent a computational bottleneck in both enrollment and testing. We propose a multi-layered hash system, employing a tree-structured GMM–UBM which uses Runnalls’ Gaussian mixture reduction technique, in order to reduce the number of these calculations. Moreover, with this tree-structured hash, wemore » can trade-off reduction in computation with a corresponding degradation of equal error rate (EER). As an example, we also reduce this computation by a factor of 15× while incurring less than 10% relative degradation of EER (or 0.3% absolute EER) when evaluated with NIST 2010 speaker recognition evaluation (SRE) telephone data.« less

  15. Structure of adeno-associated virus-2 in complex with neutralizing monoclonal antibody A20

    SciTech Connect (OSTI)

    McCraw, Dustin M.; O' Donnell, Jason K.; Taylor, Kenneth A.; Stagg, Scott M.; Department of Chemistry and Biochemistry, Florida State University, Tallahassee, FL 32306 ; Chapman, Michael S.

    2012-09-15

    The use of adeno-associated virus (AAV) as a gene therapy vector is limited by the host neutralizing immune response. The cryo-electron microscopy (EM) structure at 8.5 A resolution is determined for a complex of AAV-2 with the Fab' fragment of monoclonal antibody (MAb) A20, the most extensively characterized AAV MAb. The binding footprint is determined through fitting the cryo-EM reconstruction with a homology model following sequencing of the variable domain, and provides a structural basis for integrating diverse prior epitope mappings. The footprint extends from the previously implicated plateau to the side of the spike, and into the conserved canyon, covering a larger area than anticipated. Comparison with structures of binding and non-binding serotypes indicates that recognition depends on a combination of subtle serotype-specific features. Separation of the neutralizing epitope from the heparan sulfate cell attachment site encourages attempts to develop immune-resistant vectors that can still bind to target cells.

  16. 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).

  17. Structural basis for recognition of 5'-phosphotyrosine adducts by TDP2

    SciTech Connect (OSTI)

    Shi, Ke; Kurahash, Kayo; Gao, Rui; Tsutakawa, Susan E.; Tainer, John A.; Pommier, Yves; Aihara, Hideki

    2012-12-19

    The DNA repair enzyme TDP2 resolves 5'-phosphotyrosyl-DNA adducts, and is responsible for resistance to anti-cancer drugs that target covalent topoisomerase-DNA complexes. TDP2 also participates in key signaling pathways during development and tumorigenesis, and cleaves a protein-RNA linkage during picornavirus replication. The crystal structure of zebrafish TDP2 bound to DNA reveals a deep and narrow basic groove that selectively accommodates the 5'-end of single-stranded DNA in a stretched conformation. The crystal structure of the full-length C. elegans TDP2 shows that this groove can also accommodate an acidic peptide stretch in vitro, with Glu and Asp sidechains occupying the DNA backbone phosphate binding sites. This extensive molecular mimicry suggests a potential mechanism for auto-regulation and how TDP2 may interact with phosphorylated proteins in signaling. Our study provides a framework to interrogate functions of TDP2 and develop inhibitors for chemotherapeutic and antiviral applications.

  18. Structural basis of HIV-1 capsid recognition by PF74 and CPSF6

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

    Bhattacharya, Akash; Alam, Steven L.; Fricke, Thomas; Zadrozny, Kaneil; Sedzicki, Jaroslaw; Taylor, Alexander B.; Demeler, Borries; Pornillos, Owen; Ganser-Pornillos, Barbie K.; Diaz-Griffero, Felipe; et al

    2014-12-17

    Upon infection of susceptible cells by HIV-1, the conical capsid formed by ~250 hexamers and 12 pentamers of the CA protein is delivered to the cytoplasm. In this study, the capsid shields the RNA genome and proteins required for reverse transcription. In addition, the surface of the capsid mediates numerous host–virus interactions, which either promote infection or enable viral restriction by innate immune responses. In the intact capsid, there is an intermolecular interface between the N-terminal domain (NTD) of one subunit and the C-terminal domain (CTD) of the adjacent subunit within the same hexameric ring. The NTD–CTD interface is criticalmore » for capsid assembly, both as an architectural element of the CA hexamer and pentamer and as a mechanistic element for generating lattice curvature. Here we report biochemical experiments showing that PF-3450074 (PF74), a drug that inhibits HIV-1 infection, as well as host proteins cleavage and polyadenylation specific factor 6 (CPSF6) and nucleoporin 153 kDa (NUP153), bind to the CA hexamer with at least 10-fold higher affinities compared with nonassembled CA or isolated CA domains. The crystal structure of PF74 in complex with the CA hexamer reveals that PF74 binds in a preformed pocket encompassing the NTD–CTD interface, suggesting that the principal inhibitory target of PF74 is the assembled capsid. Likewise, CPSF6 binds in the same pocket. Given that the NTD–CTD interface is a specific molecular signature of assembled hexamers in the capsid, binding of NUP153 at this site suggests that key features of capsid architecture remain intact upon delivery of the preintegration complex to the nucleus.« less

  19. Structural basis of HIV-1 capsid recognition by PF74 and CPSF6

    SciTech Connect (OSTI)

    Bhattacharya, Akash; Alam, Steven L.; Fricke, Thomas; Zadrozny, Kaneil; Sedzicki, Jaroslaw; Taylor, Alexander B.; Demeler, Borries; Pornillos, Owen; Ganser-Pornillos, Barbie K.; Diaz-Griffero, Felipe; Ivanov, Dmitri N.; Yeager, Mark

    2014-12-17

    Upon infection of susceptible cells by HIV-1, the conical capsid formed by ~250 hexamers and 12 pentamers of the CA protein is delivered to the cytoplasm. In this study, the capsid shields the RNA genome and proteins required for reverse transcription. In addition, the surface of the capsid mediates numerous host–virus interactions, which either promote infection or enable viral restriction by innate immune responses. In the intact capsid, there is an intermolecular interface between the N-terminal domain (NTD) of one subunit and the C-terminal domain (CTD) of the adjacent subunit within the same hexameric ring. The NTD–CTD interface is critical for capsid assembly, both as an architectural element of the CA hexamer and pentamer and as a mechanistic element for generating lattice curvature. Here we report biochemical experiments showing that PF-3450074 (PF74), a drug that inhibits HIV-1 infection, as well as host proteins cleavage and polyadenylation specific factor 6 (CPSF6) and nucleoporin 153 kDa (NUP153), bind to the CA hexamer with at least 10-fold higher affinities compared with nonassembled CA or isolated CA domains. The crystal structure of PF74 in complex with the CA hexamer reveals that PF74 binds in a preformed pocket encompassing the NTD–CTD interface, suggesting that the principal inhibitory target of PF74 is the assembled capsid. Likewise, CPSF6 binds in the same pocket. Given that the NTD–CTD interface is a specific molecular signature of assembled hexamers in the capsid, binding of NUP153 at this site suggests that key features of capsid architecture remain intact upon delivery of the preintegration complex to the nucleus.

  20. Group 4 Metalloporphyrin diolato Complexes and Catalytic Application of Metalloporphyrins and Related Transition Metal Complexes

    SciTech Connect (OSTI)

    Guodong Du

    2004-12-19

    In this work, the first examples of group 4 metalloporphyrin 1,2-diolato complexes were synthesized through a number of strategies. In general, treatment of imido metalloporphyrin complexes, (TTP)M=NR, (M = Ti, Zr, Hf), with vicinal diols led to the formation of a series of diolato complexes. Alternatively, the chelating pinacolate complexes could be prepared by metathesis of (TTP)MCl{sub 2} (M = Ti, Hf) with disodium pinacolate. These complexes were found to undergo C-C cleavage reactions to produce organic carbonyl compounds. For titanium porphyrins, treatment of a titanium(II) alkyne adduct, (TTP)Ti({eta}{sup 2}-PhC{triple_bond}CPh), with aromatic aldehydes or aryl ketones resulted in reductive coupling of the carbonyl groups to produce the corresponding diolato complexes. Aliphatic aldehydes or ketones were not reactive towards (TTP)Ti({eta}{sup 2}-PhC{triple_bond}CPh). However, these carbonyl compounds could be incorporated into a diolato complex on reaction with a reactive precursor, (TTP)Ti[O(Ph){sub 2}C(Ph){sub 2}O] to provide unsymmetrical diolato complexes via cross coupling reactions. In addition, an enediolato complex (TTP)Ti(OCPhCPhO) was obtained from the reaction of (TTP)Ti({eta}{sup 2}-PhC{triple_bond}CPh) with benzoin. Titanium porphyrin diolato complexes were found to be intermediates in the (TTP)Ti=O-catalyzed cleavage reactions of vicinal diols, in which atmospheric oxygen was the oxidant. Furthermore, (TTP)Ti=O was capable of catalyzing the oxidation of benzyl alcohol and {alpha}-hydroxy ketones to benzaldehyde and {alpha}-diketones, respectively. Other high valent metalloporphyrin complexes also can catalyze the oxidative diol cleavage and the benzyl alcohol oxidation reactions with dioxygen. A comparison of Ti(IV) and Sn(IV) porphyrin chemistry was undertaken. While chelated diolato complexes were invariably obtained for titanium porphyrins on treatment with 1,2-diols, the reaction of vicinal diols with tin porphyrins gave a number of products, including mono-, bis-alkoxo, and chelating diolato complexes, depending on the identity of diols and the stoichiometry employed. It was also found that tin porphyrin complexes promoted the oxidative cleavage of vicinal diols and the oxidation of {alpha}-ketols to {alpha}-diketones with dioxygen. In extending the chemistry of metalloporphyrins and analogous complexes, a series of chiral tetraaza macrocyclic ligands and metal complexes were designed and synthesized. Examination of iron(II) complexes showed that they were efficient catalysts for the cyclopropanation of styrene by diazo reagents. Good yields and high diastereoselectivity were obtained with modest enantioselectivity. A rationalization of the stereoselectivity was presented on the basis of structural factors in a carbene intermediate.

  1. Refiners Switch to RFG Complex Model

    Reports and Publications (EIA)

    1998-01-01

    On January 1, 1998, domestic and foreign refineries and importers must stop using the "simple" model and begin using the "complex" model to calculate emissions of volatile organic compounds (VOC), toxic air pollutants (TAP), and nitrogen oxides (NOx) from motor gasoline. The primary differences between application of the two models is that some refineries may have to meet stricter standards for the sulfur and olefin content of the reformulated gasoline (RFG) they produce and all refineries will now be held accountable for NOx emissions. Requirements for calculating emissions from conventional gasoline under the anti-dumping rule similarly change for exhaust TAP and NOx. However, the change to the complex model is not expected to result in an increase in the price premium for RFG or constrain supplies.

  2. SRS Burial Ground Complex: Remediation in Progress

    SciTech Connect (OSTI)

    Griffin, M.; Crapse, B.; Cowan, S.

    1998-01-21

    Closure of the various areas in the Burial Ground Complex (BGC) represents a major step in the reduction of risk at the Savannah River Site (SRS) and a significant investment of resources. The Burial Ground Complex occupies approximately 195 acres in the central section of the SRS. Approximately 160 acres of the BGC consists of hazardous and radioactive waste disposal sites that require remediation. Of these source acres, one-third have been remediated while two-thirds are undergoing interim or final action. These restoration activities have been carried out in a safe and cost effective manner while minimizing impact to operating facilities. Successful completion of these activities is in large part due to the teamwork demonstrated by the Department of Energy, contractor/subcontractor personnel, and the regulatory agencies. The experience and knowledge gained from the closure of these large disposal facilities can be used to expedite closure of similar facilities.

  3. Thermal performance of complex fenestration systems

    SciTech Connect (OSTI)

    Carpenter, S.C.; Elmahdy, A.H.

    1994-12-31

    The thermal performance (i.e., U-factor) of four complex fenestration systems is examined using computer simulation tools and guarded hot box testing. The systems include a flat glazed skylight, a domed or bubble skylight, a greenhouse window, and a curtain wall. The extra care required in performing simulation and testing of these complex products is described. There was good agreement (within 10%) between test and simulation for two of the four products. The agreement was slightly poorer (maximum difference of 16%) for the two high-heat-transfer products: the domed skylight and the greenhouse window. Possible causes for the larger discrepancy in these projecting window products are uncertainties in the inside and outside film coefficients and lower warm-side air temperatures because of stagnant airflow.

  4. Expertise | Y-12 National Security Complex

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

    Expertise Expertise An instructor provides an overview on a calcining furnance to a soldier during a training event. As one of the National Nuclear Security Administration's original nuclear weapons production facilities, Y-12 National Security Complex has more than 60 years of experience in the production, handling, packaging, transportation and accountability of nuclear materials. In conducting this production mission, Y-12 personnel have developed expertise in the operation of personal

  5. Security | Y-12 National Security Complex

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

    Security Security The Y-12 National Security Complex places the highest priority on maintaining and improving its security posture. We employ security police officers, cyber security specialists, and other personnel to safeguard our security assets. Y-12 continuously monitors local and world events to prepare for potential risks to the site, our information and our employees. Security personnel also participate in numerous assessments each year to ensure readiness in protecting the site's vital

  6. Nuclear Advances | Y-12 National Security Complex

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

    Advances Nuclear Advances Posted: February 11, 2013 - 2:52pm | Y-12 Report | Volume 9, Issue 2 | 2013 The scope of research and development at the Y-12 National Security Complex has widened from a single-focus World War II defense mission to a panoply of explorations and achievements. Seventy years of projects with members of the Nuclear Security Enterprise, other government agencies, universities and private industry have supercharged Y-12 into an invaluable scientific and technological

  7. Bimetallic complexes and polymerization catalysts therefrom

    DOE Patents [OSTI]

    Patton, Jasson T.; Marks, Tobin J.; Li, Liting

    2000-11-28

    Group 3-6 or Lanthanide metal complexes possessing two metal centers, catalysts derived therefrom by combining the same with strong Lewis acids, Bronsted acid salts, salts containing a cationic oxidizing agent or subjected to bulk electrolysis in the presence of compatible, inert non-coordinating anions and the use of such catalysts for polymerizing olefins, diolefins and/or acetylenically unsaturated monomers are disclosed.

  8. Relocation Assistance | Y-12 National Security Complex

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

    Relocation Assistance Relocation Assistance The CNS Relocation Assistance Program can help make your relocation to the area as smooth as possible. When you have accepted employment at the Y-12 National Security Complex, we want to help make your relocation to the area as smooth as possible. The Consolidated Nuclear Security, LLC, Relocation Assistance Program can lessen the financial burden of relocating. Assistance is available to eligible transfers and new hires who meet the criteria

  9. Images | Y-12 National Security Complex

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

    Images Images Browse through images of our mission-related activities and our involvement in community events, as well as conceptual drawings of facilities soon to appear on the Y-12 National Security Complex. Click thumbnails to see larger images. Partnerships Testing our solution: Setting up a lab for Tin Whiskers CRADA CNS contributes to UT's College of Engineering Diversity Program Consolidation increases potential tech transfer opportunities ChIMES: "Limited only by our

  10. Annual Report | Y-12 National Security Complex

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

    About / Annual Report Annual Report View Annual Report Fiscal 2013 marked the 70th anniversary of the Y-12 National Security Complex, located in Oak Ridge, Tenn. Originally part of the Manhattan Project, Y-12 was constructed to enrich uranium for an atomic weapon to end World War II. For seven decades, Y-12 has met evolving national security needs - from separating lithium-6 for thermonuclear weapons during the Cold War to Y-12's modern missions: maintaining the safety, security and

  11. Vendor Information | Y-12 National Security Complex

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

    Vendor Information Vendor Information Thank you for your interest in the Y-12 National Security Complex. For small businesses that desire to provide products/services in support of Y-12's mission, there are several options that your company may want to consider: Y-12 Mission: Determine if the products/services your company provides meet one or more of Y-12's missions: Nuclear Deterrence, Global Security, or Naval Reactors. Vendor Information Database: Register your company into the Y-12 Vendor

  12. Tag: Awards | Y-12 National Security Complex

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

    Awards Tag: Awards Displaying 1 - 8 of 8... Category: News Y-12 garners six NNSA Sustainability Awards Site's efforts earn half of 2016 honors More... Category: News Edlund Named DOE Facility Representative of the Year Jeff Edlund named the U.S. Department of Energy Facility Representative of the Year. More... Category: News Y-12 and Pantex teams receive NNSA Defense Programs awards 260 employees at the Pantex Plant and the Y-12 National Security Complex received National Nuclear Security

  13. METHOD AND MEANS FOR RECOGNIZING COMPLEX PATTERNS

    DOE Patents [OSTI]

    Hough, P.V.C.

    1962-12-18

    This patent relates to a method and means for recognizing a complex pattern in a picture. The picture is divided into framelets, each framelet being sized so that any segment of the complex pattern therewithin is essentially a straight line. Each framelet is scanned to produce an electrical pulse for each point scanned on the segment therewithin. Each of the electrical pulses of each segment is then transformed into a separate strnight line to form a plane transform in a pictorial display. Each line in the plane transform of a segment is positioned laterally so that a point on the line midway between the top and the bottom of the pictorial display occurs at a distance from the left edge of the pictorial display equal to the distance of the generating point in the segment from the left edge of the framelet. Each line in the plane transform of a segment is inclined in the pictorial display at an angle to the vertical whose tangent is proportional to the vertical displacement of the generating point in the segment from the center of the framelet. The coordinate position of the point of intersection of the lines in the pictorial display for each segment is determined and recorded. The sum total of said recorded coordinate positions being representative of the complex pattern. (AEC)

  14. Analysis of complex networks using aggressive abstraction.

    SciTech Connect (OSTI)

    Colbaugh, Richard; Glass, Kristin.; Willard, Gerald

    2008-10-01

    This paper presents a new methodology for analyzing complex networks in which the network of interest is first abstracted to a much simpler (but equivalent) representation, the required analysis is performed using the abstraction, and analytic conclusions are then mapped back to the original network and interpreted there. We begin by identifying a broad and important class of complex networks which admit abstractions that are simultaneously dramatically simplifying and property preserving - we call these aggressive abstractions -- and which can therefore be analyzed using the proposed approach. We then introduce and develop two forms of aggressive abstraction: 1.) finite state abstraction, in which dynamical networks with uncountable state spaces are modeled using finite state systems, and 2.) onedimensional abstraction, whereby high dimensional network dynamics are captured in a meaningful way using a single scalar variable. In each case, the property preserving nature of the abstraction process is rigorously established and efficient algorithms are presented for computing the abstraction. The considerable potential of the proposed approach to complex networks analysis is illustrated through case studies involving vulnerability analysis of technological networks and predictive analysis for social processes.

  15. Dependency visualization for complex system understanding

    SciTech Connect (OSTI)

    Smart, J.A.C.

    1994-09-01

    With the volume of software in production use dramatically increasing, the importance of software maintenance has become strikingly apparent. Techniques now sought and developed for reverse engineering and design extraction and recovery. At present, numerous commercial products and research tools exist which are capable of visualizing a variety of programming languages and software constructs. The list of new tools and services continues to grow rapidly. Although the scope of the existing commercial and academic product set is quite broad, these tools still share a common underlying problem. The ability of each tool to visually organize object representations is increasingly impaired as the number of components and component dependencies within systems increases. Regardless of how objects are defined, complex ``spaghetti`` networks result in nearly all large system cases. While this problem is immediately apparent in modem systems analysis involving large software implementations, it is not new. As will be discussed in Chapter 2, related problems involving the theory of graphs were identified long ago. This important theoretical foundation provides a useful vehicle for representing and analyzing complex system structures. While the utility of directed graph based concepts in software tool design has been demonstrated in literature, these tools still lack the capabilities necessary for large system comprehension. This foundation must therefore be expanded with new orgnizational and visualization constructs necessary to meet this challenge. This dissertation addresses this need by constructing a conceptual model and a set of methods for interactively exploring, organizing, and understanding the structure of complex software systems.

  16. Y-12 National Security Complex | Department of Energy

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

    Y-12 National Security Complex Y-12 National Security Complex Y-12 National Security Complex Aerial View Y-12 National Security Complex Aerial View Y-12 National Security Complex's primary mission is to support of the DOE nuclear weapons stockpile maintenance program. Activities include assembly and disassembly of nuclear weapons components, secure storage of special nuclear material (SNM), and various other nuclear weapons-related activities. Other activities include various aspects of testing

  17. Y-12 National Security Complex | Department of Energy

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

    Y-12 National Security Complex Y-12 National Security Complex The Jack Case Center at the Y-12 National Security Complex. The Jack Case Center at the Y-12 National Security Complex. The Y-12 National Security Complex is one of the nation's most important national security assets. The 811 acre site contains the nation's stockpile of highly enriched uranium and also performs nuclear non-proliferation missions. Historically, Y-12's operations focused on a uranium enrichment method that used vast

  18. Twisting phonons in complex crystals with quasi-one-dimensional

    Office of Scientific and Technical Information (OSTI)

    substructures [Twisting Phonons in Higher Manganese Silicides with a Complex Nowotny Chimney Ladder Structure] (Journal Article) | DOE PAGES Twisting phonons in complex crystals with quasi-one-dimensional substructures [Twisting Phonons in Higher Manganese Silicides with a Complex Nowotny Chimney Ladder Structure] « Prev Next » Title: Twisting phonons in complex crystals with quasi-one-dimensional substructures [Twisting Phonons in Higher Manganese Silicides with a Complex Nowotny Chimney

  19. Kinetic gating mechanism of DNA damage recognition by Rad4/XPC

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

    Chen, Xuejing; Velmurugu, Yogambigai; Zheng, Guanqun; Park, Beomseok; Shim, Yoonjung; Kim, Youngchang; Liu, Lili; Van Houten, Bennett; He, Chuan; Ansari, Anjum; et al

    2015-01-06

    The xeroderma pigmentosum C (XPC) complex initiates nucleotide excision repair by recognizing DNA lesions before recruiting downstream factors. How XPC detects structurally diverse lesions embedded within normal DNA is unknown. Here we present a crystal structure that captures the yeast XPC orthologue (Rad4) on a single register of undamaged DNA. The structure shows that a disulphide-tethered Rad4 flips out normal nucleotides and adopts a conformations similar to that seen with damaged DNA. Contrary to many DNA repair enzymes that can directly reject non-target sites as structural misfits, our results suggest that Rad4/XPC uses a kinetic gating mechanism whereby lesion selectivitymore » arises from the kinetic competition between DNA opening and the residence time of Rad4/XPC per site. This mechanism is further supported by measurements of Rad4-induced lesion-opening times using temperature-jump pertubation spectroscopy. Kinetic gating may be a general mechanism used by site-specific DNA-binding proteins to minimize time-consuming interrogations of non-target sites.« less

  20. Sales | Y-12 National Security Complex

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

    Suppliers / Sales Sales The Y-12 Complex is managed for the Department of Energy, and use of government property is essential for us to effectively achieve our missions. Items that are excess to Y-12's needs are offered for sale to the general public after all other steps in the excess cycle have been completed. We conduct different types of sales taylored to the specific commodity. The method chosen depends on the item's quantity, condition, location and special nature. When a sale is being

  1. Nuclear Deterrence | Y-12 National Security Complex

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

    Deterrence Nuclear Deterrence Posted: February 7, 2013 - 6:03pm | Y-12 Report | Volume 9, Issue 2 | 2013 The Y-12 National Security Complex was created, and exists today, to carry out one principal mission - defend the nation. Although new missions have emerged and the country hasn't built a new nuclear weapon since the early 1990s, Y-12 remains committed to sustaining a safe, secure and effective nuclear deterrent. The following stories highlight Y-12's role in carrying out the nation's nuclear

  2. Porous ceramic scaffolds with complex architectures

    SciTech Connect (OSTI)

    Saiz, Eduardo; Munch, Etienne; Franco, Jaime; Deville, Sylvain; Hunger, Phillip; Saiz, Eduardo; Tomsia, Antoni P.

    2008-03-15

    This work compares two novel techniques for the fabrication of ceramic scaffolds for bone tissue engineering with complex porosity: robocasting and freeze casting. Both techniques are based on the preparation of concentrated ceramic suspensions with suitable properties for the process. In robocasting, the computer-guided deposition of the suspensions is used to build porous materials with designed three dimensional (3-D) geometries and microstructures. Freeze casting uses ice crystals as a template to form porous lamellar ceramic materials. Preliminary results on the compressive strengths of the materials are also reported.

  3. Optimization strategies for complex engineering applications

    SciTech Connect (OSTI)

    Eldred, M.S.

    1998-02-01

    LDRD research activities have focused on increasing the robustness and efficiency of optimization studies for computationally complex engineering problems. Engineering applications can be characterized by extreme computational expense, lack of gradient information, discrete parameters, non-converging simulations, and nonsmooth, multimodal, and discontinuous response variations. Guided by these challenges, the LDRD research activities have developed application-specific techniques, fundamental optimization algorithms, multilevel hybrid and sequential approximate optimization strategies, parallel processing approaches, and automatic differentiation and adjoint augmentation methods. This report surveys these activities and summarizes the key findings and recommendations.

  4. Constrained inflaton due to a complex scalar

    SciTech Connect (OSTI)

    Budhi, Romy H. S.; Kashiwase, Shoichi; Suematsu, Daijiro

    2015-09-14

    We reexamine inflation due to a constrained inflaton in the model of a complex scalar. Inflaton evolves along a spiral-like valley of special scalar potential in the scalar field space just like single field inflation. Sub-Planckian inflaton can induce sufficient e-foldings because of a long slow-roll path. In a special limit, the scalar spectral index and the tensor-to-scalar ratio has equivalent expressions to the inflation with monomial potential φ{sup n}. The favorable values for them could be obtained by varying parameters in the potential. This model could be embedded in a certain radiative neutrino mass model.

  5. Report Articles | Y-12 National Security Complex

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

    Report Articles Report Articles The Y-12 Report communicates the significant accomplishments of and events involving the Y-12 National Security Complex and its people. View report articles by Issue. Y-12 Report | Vol. 10, Issue 2 | Y/CS-035 Jamaican Connection May 7, 2014 Sizing up nuclear fuel May 7, 2014 Tool of tomorrow today May 7, 2014 Just the facts in crisis reporting May 7, 2014 Sea change for foam May 7, 2014 UPF workers' two cents lead to savings May 7, 2014 The doctor is INnovative

  6. EIS-0424: Klickitat Hatchery Complex Program, Washington

    Broader source: Energy.gov [DOE]

    This EIS evaluates the environmental impacts from DOE’s Bonneville Power Administration's proposal to assist with funding the construction, operation, and maintenance of modifications to the Klickitat Hatchery and the Yakama Nation’s Hatchery Complex Program that intend to aid populations of anadromous fish affected by the Federal Columbia River Power System dams. The proposed action could include support for modifications to the existing hatchery, a new hatchery/acclimation facility in Wahkiacus, Washington, and an acclimation facility at McCreedy Creek in Yakima County, Washington.

  7. Modeling Power Systems as Complex Adaptive Systems

    SciTech Connect (OSTI)

    Chassin, David P.; Malard, Joel M.; Posse, Christian; Gangopadhyaya, Asim; Lu, Ning; Katipamula, Srinivas; Mallow, J V.

    2004-12-30

    Physical analogs have shown considerable promise for understanding the behavior of complex adaptive systems, including macroeconomics, biological systems, social networks, and electric power markets. Many of today's most challenging technical and policy questions can be reduced to a distributed economic control problem. Indeed, economically based control of large-scale systems is founded on the conjecture that the price-based regulation (e.g., auctions, markets) results in an optimal allocation of resources and emergent optimal system control. This report explores the state-of-the-art physical analogs for understanding the behavior of some econophysical systems and deriving stable and robust control strategies for using them. We review and discuss applications of some analytic methods based on a thermodynamic metaphor, according to which the interplay between system entropy and conservation laws gives rise to intuitive and governing global properties of complex systems that cannot be otherwise understood. We apply these methods to the question of how power markets can be expected to behave under a variety of conditions.

  8. Efficiently evaluate complex pressure relief systems

    SciTech Connect (OSTI)

    Wright, R.K.; Walker, A.G.

    1997-01-01

    This article will present the steps necessary to perform a comprehensive analysis of complex pressure relief systems. The goal is not to discuss detailed calculations for proper valve sizing and selection, but rather to analyze and verify existing system configurations. Sizing and selection have been covered in detail by the American Petroleum Institute (API) RP 520, API RP 521, various AIChE Design Institute for Emergency Relief Systems (DIERS) publications, and other sources. In their work with industry, the authors have noticed a tendency for some engineers to proceed with detailed calculations without first preparing an overall strategy and implementation plan to make sure that the calculations yield the desired results. They have seen detailed pressure relief system analyses costing hundreds of thousands of dollars which, for any number of reasons, are incorrect. The old adage GIGO (garbage in/garbage out) certainly applies to pressure relief system analysis. They will address the thought processes and actions necessary to correctly and efficiently evaluate complex pressure relief systems.

  9. Complex Systems: Science for the 21st Century (Technical Report...

    Office of Scientific and Technical Information (OSTI)

    Complex Systems: Science for the 21st Century Citation Details In-Document Search Title: Complex Systems: Science for the 21st Century You are accessing a document from the ...

  10. Post-Closure Benefits: DOE Complex vs Closure Sites | Department...

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

    Post-Closure Benefits Post-Closure Benefits: DOE Complex vs Closure Sites Post-Closure Benefits: DOE Complex vs Closure Sites Status of Contractor Pension and PRB Benefit ...

  11. Folding and association of a homotetrameric protein complex in...

    Office of Scientific and Technical Information (OSTI)

    Folding and association of a homotetrameric protein complex in an all-atom Go model Title: Folding and association of a homotetrameric protein complex in an all-atom Go model ...

  12. EM Presents Video Highlights of Cleanup Across DOE Complex in...

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

    Presents Video Highlights of Cleanup Across DOE Complex in YouTube Playlist EM Presents Video Highlights of Cleanup Across DOE Complex in YouTube Playlist April 20, 2016 - 12:00pm ...

  13. Crystal Structure of a Protein Kinase A Complex

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

    Crystal Structure of a Protein Kinase A Complex Crystal Structure of a Protein Kinase A Complex Print Wednesday, 26 October 2005 00:00 Protein kinase A (PKA) is an enzyme that...

  14. Enterprise Assessments Targeted Review,Y-12 National Security Complex -

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

    March 2015 | Department of Energy Review,Y-12 National Security Complex - March 2015 Enterprise Assessments Targeted Review,Y-12 National Security Complex - March 2015 March 2015 Targeted Review of Work Planning and Control at the Y-12 National Security Complex The U.S. Department of Energy Office of Environment, Safety and Health Assessments, within the independent Office of Enterprise Assessments (EA), conducted an independent assessment of the Y-12 National Security Complex activity-level

  15. Independent Oversight Inspection, Y-12 National Security Complex - April

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

    2003 | Department of Energy Y-12 National Security Complex - April 2003 Independent Oversight Inspection, Y-12 National Security Complex - April 2003 April 2003 Inspection of Environment, Safety, and Health Management at the Y-12 National Security Complex This report provides the results of an inspection of environment, safety, and health management at the Department of Energy's (DOE) Y-12 National Security Complex. The inspection was conducted in March and April 2003 by the Office of

  16. Independent Oversight Appraisal, Y-12 National Security Complex- May 2013

    Broader source: Energy.gov [DOE]

    Appraisal of the Uranium Processing Facility Safety Basis Preliminary Safety Design Report Process at the Y-12 National Security Complex

  17. Independent Oversight Assessment, Y-12 National Security Complex - June

    Office of Environmental Management (EM)

    2012 | Department of Energy Y-12 National Security Complex - June 2012 Independent Oversight Assessment, Y-12 National Security Complex - June 2012 June 2012 Assessment of Nuclear Safety Culture at the Y-12 National Security Complex Uranium Processing Facility Project This report provides the results of an independent assessment of nuclear safety culture at the Department of Energy's Uranium Processing Facility Project at the Y-12 National Security Complex. The review was performed by the

  18. Organic complexant topical report. Revision 1

    SciTech Connect (OSTI)

    Meacham, J.E.; and others

    1997-06-26

    This document reviews the current understanding of hazards associated with the storage of organic complexant salts in Hanford Site high-level waste tanks. Two distinct hazards were evaluated: spontaneous self- accelerating decomposition reactions in the bulk material (bulk runaway) and ignition followed by condensed phase propagation (point source ignition). Results from the bulk runaway assessment showed that bulk runaway is not credible for all tanks except C-106. However, speciation of the organic in C-106 shows that it is almost all in the form of low energy oxalate, and there is little potential for a bulk runaway. Additional testing and evaluation would be necessary to definitely conclude that there is no potential for bulk runaway; therefore, controls are currently required for his tank. Temperature monitoring and controls (water addition and active ventilation) are adequate to prevent bulk runaway in C-106.

  19. Supercritical separation process for complex organic mixtures

    DOE Patents [OSTI]

    Chum, H.L.; Filardo, G.

    1990-10-23

    A process is disclosed for separating low molecular weight components from complex aqueous organic mixtures. The process includes preparing a separation solution of supercritical carbon dioxide with an effective amount of an entrainer to modify the solvation power of the supercritical carbon dioxide and extract preselected low molecular weight components. The separation solution is maintained at a temperature of at least about 70 C and a pressure of at least about 1,500 psi. The separation solution is then contacted with the organic mixtures while maintaining the temperature and pressure as above until the mixtures and solution reach equilibrium to extract the preselected low molecular weight components from the organic mixtures. Finally, the entrainer/extracted components portion of the equilibrium mixture is isolated from the separation solution. 1 fig.

  20. Supercritical separation process for complex organic mixtures

    DOE Patents [OSTI]

    Chum, Helena L.; Filardo, Giuseppe

    1990-01-01

    A process is disclosed for separating low molecular weight components from complex aqueous organic mixtures. The process includes preparing a separation solution of supercritical carbon dioxide with an effective amount of an entrainer to modify the solvation power of the supercritical carbon dioxide and extract preselected low molecular weight components. The separation solution is maintained at a temperature of at least about 70.degree. C. and a pressure of at least about 1,500 psi. The separation solution is then contacted with the organic mixtures while maintaining the temperature and pressure as above until the mixtures and solution reach equilibrium to extract the preselected low molecular weight components from the organic mixtures. Finally, the entrainer/extracted components portion of the equilibrium mixture is isolated from the separation solution.

  1. Complexity of Groundwater Contaminants at DOE Sites

    SciTech Connect (OSTI)

    Hazen, T.C.; Faybishenko, B.; Jordan, P.

    2010-12-03

    The U.S. Department of Energy (DOE) is responsible for the remediation and long-term stewardship of one of the world's largest groundwater contamination portfolios, with a significant number of plumes containing various contaminants, and considerable total mass and activity. As of 1999, the DOE's Office of Environmental Management was responsible for remediation, waste management, or nuclear materials and facility stabilization at 144 sites in 31 states and one U.S. territory, out of which 109 sites were expected to require long-term stewardship. Currently, 19 DOE sites are on the National Priority List. The total number of contaminated plumes on DOE lands is estimated to be 10,000. However, a significant number of DOE sites have not yet been fully characterized. The most prevalent contaminated media are groundwater and soil, although contaminated sediment, sludge, and surface water also are present. Groundwater, soil, and sediment contamination are present at 72% of all DOE sites. A proper characterization of the contaminant inventory at DOE sites is critical for accomplishing one of the primary DOE missions -- planning basic research to understand the complex physical, chemical, and biological properties of contaminated sites. Note that the definitions of the terms 'site' and 'facility' may differ from one publication to another. In this report, the terms 'site,' 'facility' or 'installation' are used to identify a contiguous land area within the borders of a property, which may contain more than one plume. The term 'plume' is used here to indicate an individual area of contamination, which can be small or large. Even though several publications and databases contain information on groundwater contamination and remediation technologies, no statistical analyses of the contaminant inventory at DOE sites has been prepared since the 1992 report by Riley and Zachara. The DOE Groundwater Data Base (GWD) presents data as of 2003 for 221 groundwater plumes at 60 DOE sites and facilities. Note that Riley and Zachara analyzed the data from only 18 sites/facilities including 91 plumes. In this paper, we present the results of statistical analyses of the data in the GWD as guidance for planning future basic and applied research of groundwater contaminants within the DOE complex. Our analyses include the evaluation of a frequency and ranking of specific contaminants and contaminant groups, contaminant concentrations/activities and total contaminant masses and activities. We also compared the results from analyses of the GWD with those from the 1992 report by Riley and Zachara. The difference between our results and those summarized in the 1992 report by Riley and Zachara could be caused by not only additional releases, but also by the use of modern site characterization methods, which more accurately reveal the extent of groundwater contamination. Contaminated sites within the DOE complex are located in all major geographic regions of the United States, with highly variable geologic, hydrogeologic, soil, and climatic conditions. We assume that the information from the 60 DOE sites included in the GWD are representative for the whole DOE complex. These 60 sites include the major DOE sites and facilities, such as Rocky Flats Environmental Technology Site, Colorado; Idaho National Laboratory, Idaho; Savannah River Site, South Carolina; Oak Ridge Reservation, Tennessee; and Hanford Reservation, Washington. These five sites alone ccount for 71% of the value of the remediation work.

  2. Kinetics of wet sodium vapor complex plasma

    SciTech Connect (OSTI)

    Mishra, S. K., E-mail: nishfeb@rediffmail.com [Institute for Plasma Research (IPR), Gandhinagar 382428 (India); Sodha, M. S. [Centre of Energy Studies, Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)] [Centre of Energy Studies, Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)

    2014-04-15

    In this paper, we have investigated the kinetics of wet (partially condensed) Sodium vapor, which comprises of electrons, ions, neutral atoms, and Sodium droplets (i) in thermal equilibrium and (ii) when irradiated by light. The formulation includes the balance of charge over the droplets, number balance of the plasma constituents, and energy balance of the electrons. In order to evaluate the droplet charge, a phenomenon for de-charging of the droplets, viz., evaporation of positive Sodium ions from the surface has been considered in addition to electron emission and electron/ion accretion. The analysis has been utilized to evaluate the steady state parameters of such complex plasmas (i) in thermal equilibrium and (ii) when irradiated; the results have been graphically illustrated. As a significant outcome irradiated, Sodium droplets are seen to acquire large positive potential, with consequent enhancement in the electron density.

  3. 3D Diagnostic Of Complex Plasma

    SciTech Connect (OSTI)

    Hall, Edward; Samsonov, Dmitry

    2011-11-29

    This paper reports the development of a three-dimensional(3D) dust particle position diagnostic for complex plasmas. A beam produce by Light Emitting Diodes(LEDs) is formed into horizontal sheet, for the illumination of the particles. The light sheet has a vertical colour gradient across its width, from two opposing colours. The light scattered from the particles is imaged with the camera from above. The horizontal coordinates are measured from the positions on the image. The third coordinate is determined from the colour which represents a position on the gradient of the light sheet. The use of LEDs as a light source reduces a variation in Mie scattered intensity from the particles due to the particle size distribution. The variation would induce a large vertical positional error.

  4. Simulating Complex Window Systems using BSDF Data

    SciTech Connect (OSTI)

    Konstantoglou, Maria; Jonsson, Jacob; Lee, Eleanor

    2009-06-22

    Nowadays, virtual models are commonly used to evaluate the performance of conventional window systems. Complex fenestration systems can be difficult to simulate accurately not only because of their geometry but also because of their optical properties that scatter light in an unpredictable manner. Bi-directional Scattering Distribution Functions (BSDF) have recently been developed based on a mixture of measurements and modelling to characterize the optics of such systems. This paper describes the workflow needed to create then use these BSDF datasets in the Radiance lighting simulation software. Limited comparisons are made between visualizations produced using the standard ray-tracing method, the BSDF method, and that taken in a full-scale outdoor mockup.

  5. Polymeric complexes of polyaniline as anticorrosion coatings

    SciTech Connect (OSTI)

    Racicot, R.J.; Yang, S.C.; Brown, R.

    1998-07-01

    During the past few years there has been a strong interest in developing conducting polymers as an alternative to the traditional anticorrosion coatings. One of the driving forces for this research comes from the need for an environmentally friendly chromate-free anticorrosion coating for high-strength light weight aluminum alloys. The possibilities for a new scratch-tolerant paint for steel prompted the development of conductive polymer anticorrosion paints. By molecular engineering, the authors have synthesized a double-strand polymeric complex of polyaniline that is suitable as an anticorrosion paint on metals in low pH environments. In this article, the authors will discuss (1) the molecular design for solubility and adhesion, (2) the effectiveness of the electroactive coating under electrochemical impedance tests, and (3) a mechanistic study of the anticorrosion mechanism by examining the polymer/metal interfacial interactions.

  6. Exploratory study of complexant concentrate waste processing

    SciTech Connect (OSTI)

    Lumetta, G.J.; Bray, L.A.; Kurath, D.E.; Morrey, J.R.; Swanson, J.L.; Wester, D.W.

    1993-02-01

    The purpose of this exploratory study, conducted by Pacific Northwest Laboratory for Westinghouse Hanford Company, was to determine the effect of applying advanced chemical separations technologies to the processing and disposal of high-level wastes (HLW) stored in underground tanks. The major goals of this study were to determine (1) if the wastes can be partitioned into a small volume of HLW plus a large volume of low-level waste (LLW), and (2) if the activity in the LLW can be lowered enough to meet NRC Class LLW criteria. This report presents the results obtained in a brief scouting study of various processes for separating radionuclides from Hanford complexant concentrate (CC) waste.

  7. Radioactive Waste Management Complex performance assessment: Draft

    SciTech Connect (OSTI)

    Case, M.J.; Maheras, S.J.; McKenzie-Carter, M.A.; Sussman, M.E.; Voilleque, P.

    1990-06-01

    A radiological performance assessment of the Radioactive Waste Management Complex at the Idaho National Engineering Laboratory was conducted to demonstrate compliance with appropriate radiological criteria of the US Department of Energy and the US Environmental Protection Agency for protection of the general public. The calculations involved modeling the transport of radionuclides from buried waste, to surface soil and subsurface media, and eventually to members of the general public via air, ground water, and food chain pathways. Projections of doses were made for both offsite receptors and individuals intruding onto the site after closure. In addition, uncertainty analyses were performed. Results of calculations made using nominal data indicate that the radiological doses will be below appropriate radiological criteria throughout operations and after closure of the facility. Recommendations were made for future performance assessment calculations.

  8. Y-12 National Security Complex Water Assessment

    SciTech Connect (OSTI)

    Elam, Shana E.; Bassett, P.; McMordie Stoughton, Kate

    2010-11-01

    The Department of Energy's Federal Energy Management Program (FEMP) sponsored a water assessment at the Y 12 National Security Complex (Y 12) located in Oak Ridge, Tennessee. Driven by mandated water reduction goals of Executive Orders 13423 and 13514, the objective of the water assessment is to develop a comprehensive understanding of the current water-consuming applications and equipment at Y 12 and to identify key areas for water efficiency improvements that could be applied not only at Y-12 but at other Federal facilities as well. FEMP selected Pacific Northwest National Laboratory to coordinate and manage the water assessment. PNNL contracted Water Savers, LLC to lead the technical aspects of the water assessment. Water Savers provided key technical expertise in water auditing, metering, and cooling systems. This is the report of that effort, which concluded that the Y-12 facility could realize considerable water savings by implementing the recommended water efficiency opportunities.

  9. Plutonium (III) and uranium (III) nitrile complexes

    SciTech Connect (OSTI)

    Enriquez, A. E.; Matonic, J. H.; Scott, B. L.; Neu, M. P.

    2002-01-01

    Iodine oxidation of uranium and plutonium metals in tetrahydrofuran and pyridine form AnI{sub 3}(THF){sub 4} and AnI{sub 3}(py){sub 4} (An = Pu, U). These compounds represent convenient entries Into solution An(III) chemistry in organic solvents. Extensions of the actinide metal oxidation methodology in nitrile solvents by I{sub 2}, AgPF{sub 6}, and TIPF{sub 6} are presented here. Treatment of Pu{sup 0} in acetonitrile with iodine yields a putative PuI{sub 3}(NCMe){sub x} intermediate which can be trapped with the tripodal nitrogen donor ligand tpza (tpza = (tris[(2-pyrazinyl)methyl]amine)) and forms the eight-coordinate complex (tpza)PuI{sub 3}(NCMe). Treatment of excess U{sup 0} metal by iodine in acetonitrile afforded a brown crystalline mixed valence complex, [U(NCMe){sub 9}][UI{sub 6}][I], instead of UI{sub 3}(NCMe){sub 4}. The analogous reaction in bezonitrile forms red crystalline UI{sub 4}(NCPh){sub 4}. In contrast, treatment of UI{sub 3}(THF){sub 4} with excess acetonitrile cleanly generates [U(NCMe){sub 9}][I]{sub 3}. Oxidation of Pu{sup 0} by either TI(I) or Ag(I) hexafluorophosphate salts generates a nine-coordinate homoleptic acetonitrile adduct [Pu(NCMe){sub 9}][PF{sub 6}]{sub 3}. Attempts to oxidize U{sub 0} with these salts were unsuccessful.

  10. B Plant Complex preclosure work plan

    SciTech Connect (OSTI)

    ADLER, J.G.

    1999-02-02

    This preclosure work plan describes the condition of the dangerous waste treatment storage, and/or disposal (TSD) unit after completion of the B Plant Complex decommissioning Transition Phase preclosure activities. This description includes waste characteristics, waste types, locations, and associated hazards. The goal to be met by the Transition Phase preclosure activities is to place the TSD unit into a safe and environmentally secure condition for the long-term Surveillance and Maintenance (S&M) Phase of the facility decommissioning process. This preclosure work plan has been prepared in accordance with Section 8.0 of the Hanford Federal Facility Agreement and Consent Order (Tri-Party Agreement) (Ecology et al. 1996). The preclosure work plan is one of three critical Transition Phase documents, the other two being: B Plant End Points Document (WHC-SD-WM-TPP-054) and B Plant S&M plan. These documents are prepared by the U.S. Department of Energy, Richland Operations Office (DOE-RL) and its contractors with the involvement of Washington State Department of Ecology (Ecology). The tanks and vessels addressed by this preclosure work plan are limited to those tanks end vessels included on the B Plant Complex Part A, Form 3, Permit Application (DOE/RL-88-21). The criteria for determining which tanks or vessels are in the Part A, Form 3, are discussed in the following. The closure plan for the TSD unit will not be prepared until the Disposition Phase of the facility decommissioning process is initiated, which follows the long-term S&M Phase. Final closure will occur during the Disposition Phase of the facility decommissioning process. The Waste Encapsulation Storage Facility (WESF) is excluded from the scope of this preclosure work plan.

  11. Intrinsic Uncertainties in Modeling Complex Systems.

    SciTech Connect (OSTI)

    Cooper, Curtis S; Bramson, Aaron L.; Ames, Arlo L.

    2014-09-01

    Models are built to understand and predict the behaviors of both natural and artificial systems. Because it is always necessary to abstract away aspects of any non-trivial system being modeled, we know models can potentially leave out important, even critical elements. This reality of the modeling enterprise forces us to consider the prospective impacts of those effects completely left out of a model - either intentionally or unconsidered. Insensitivity to new structure is an indication of diminishing returns. In this work, we represent a hypothetical unknown effect on a validated model as a finite perturba- tion whose amplitude is constrained within a control region. We find robustly that without further constraints, no meaningful bounds can be placed on the amplitude of a perturbation outside of the control region. Thus, forecasting into unsampled regions is a very risky proposition. We also present inherent difficulties with proper time discretization of models and representing in- herently discrete quantities. We point out potentially worrisome uncertainties, arising from math- ematical formulation alone, which modelers can inadvertently introduce into models of complex systems. Acknowledgements This work has been funded under early-career LDRD project %23170979, entitled %22Quantify- ing Confidence in Complex Systems Models Having Structural Uncertainties%22, which ran from 04/2013 to 09/2014. We wish to express our gratitude to the many researchers at Sandia who con- tributed ideas to this work, as well as feedback on the manuscript. In particular, we would like to mention George Barr, Alexander Outkin, Walt Beyeler, Eric Vugrin, and Laura Swiler for provid- ing invaluable advice and guidance through the course of the project. We would also like to thank Steven Kleban, Amanda Gonzales, Trevor Manzanares, and Sarah Burwell for their assistance in managing project tasks and resources.

  12. Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of

    Office of Scientific and Technical Information (OSTI)

    Methyl-Substituted Bipyridines (Journal Article) | SciTech Connect Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines Citation Details In-Document Search Title: Intermediate-Valence Tautomerism in Decamethylytterbocene Complexes of Methyl-Substituted Bipyridines Multiconfigurational, intermediate valent ground states are established in several methyl-substituted bipyridine complexes of bispentamethylcyclopentadienylytterbium, Cp*{sub 2}

  13. The structure of the SBP-Tagstreptavidin complex reveals a novel helical scaffold bridging binding pockets on separate subunits

    SciTech Connect (OSTI)

    Barrette-Ng, Isabelle H.; Wu, Sau-Ching; Tjia, Wai-Mui; Wong, Sui-Lam; Ng, Kenneth K. S.

    2013-05-01

    The structure of the SBP-Tagstreptavidin complex reveals a novel mode of peptide recognition in which a single peptide binds simultaneously to biotin-binding pockets from adjacent subunits of streptavidin. The molecular details of peptide recognition suggest how the SBP-Tag can be further modified to become an even more useful tag for a wider range of biotechnological applications. The 38-residue SBP-Tag binds to streptavidin more tightly (K{sub d} ? 2.54.9 nM) than most if not all other known peptide sequences. Crystallographic analysis at 1.75 resolution shows that the SBP-Tag binds to streptavidin in an unprecedented manner by simultaneously interacting with biotin-binding pockets from two separate subunits. An N-terminal HVV peptide sequence (residues 1214) and a C-terminal HPQ sequence (residues 3133) form the bulk of the direct interactions between the SBP-Tag and the two biotin-binding pockets. Surprisingly, most of the peptide spanning these two sites (residues 1728) adopts a regular ?-helical structure that projects three leucine side chains into a groove formed at the interface between two streptavidin protomers. The crystal structure shows that residues 110 and 3538 of the original SBP-Tag identified through in vitro selection and deletion analysis do not appear to contact streptavidin and thus may not be important for binding. A 25-residue peptide comprising residues 1134 (SBP-Tag2) was synthesized and shown using surface plasmon resonance to bind streptavidin with very similar affinity and kinetics when compared with the SBP-Tag. The SBP-Tag2 was also added to the C-terminus of ?-lactamase and was shown to be just as effective as the full-length SBP-Tag in affinity purification. These results validate the molecular structure of the SBP-Tagstreptavidin complex and establish a minimal bivalent streptavidin-binding tag from which further rational design and optimization can proceed.

  14. Hybrid function projective synchronization in complex dynamical networks

    SciTech Connect (OSTI)

    Wei, Qiang; Wang, Xing-yuan, E-mail: wangxy@dlut.edu.cn; Hu, Xiao-peng [Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China)] [Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China)

    2014-02-15

    This paper investigates hybrid function projective synchronization in complex dynamical networks. When the complex dynamical networks could be synchronized up to an equilibrium or periodic orbit, a hybrid feedback controller is designed to realize the different component of vector of node could be synchronized up to different desired scaling function in complex dynamical networks with time delay. Hybrid function projective synchronization (HFPS) in complex dynamical networks with constant delay and HFPS in complex dynamical networks with time-varying coupling delay are researched, respectively. Finally, the numerical simulations show the effectiveness of theoretical analysis.

  15. Recognition of the Activated States of G[alpha]13 by the rgRGS Domain of PDZRhoGEF

    SciTech Connect (OSTI)

    Chen, Zhe; Singer, William D.; Danesh, Shahab M.; Sternweis, Paul C.; Sprang, Stephen R.

    2009-12-01

    G12 class heterotrimeric G proteins stimulate RhoA activation by RGS-RhoGEFs. However, p115RhoGEF is a GTPase Activating Protein (GAP) toward G{alpha}13, whereas PDZRhoGEF is not. We have characterized the interaction between the PDZRhoGEF rgRGS domain (PRG-rgRGS) and the alpha subunit of G13 and have determined crystal structures of their complexes in both the inactive state bound to GDP and the active states bound to GDP {center_dot} AlF (transition state) and GTP{gamma}S (Michaelis complex). PRG-rgRGS interacts extensively with the helical domain and the effector-binding sites on G{alpha}13 through contacts that are largely conserved in all three nucleotide-bound states, although PRG-rgRGS has highest affinity to the Michaelis complex. An acidic motif in the N terminus of PRG-rgRGS occupies the GAP binding site of G{alpha}13 and is flexible in the GDP {center_dot} AlF complex but well ordered in the GTPS complex. Replacement of key residues in this motif with their counterparts in p115RhoGEF confers GAP activity.

  16. Cell recognition molecule L1 promotes embryonic stem cell differentiation through the regulation of cell surface glycosylation

    SciTech Connect (OSTI)

    Li, Ying; Department of Clinical Laboratory, Second Affiliated Hospital of Dalian Medical University, Dalian 116023 ; Huang, Xiaohua; Department of Clinical Biochemistry, College of Laboratory Medicine, Dalian Medical University, Dalian 116044 ; An, Yue; Ren, Feng; Yang, Zara Zhuyun; Zhu, Hongmei; Zhou, Lei; Department of Anatomy and Developmental Biology, Monash University, Clayton 3800 ; He, Xiaowen; Schachner, Melitta; Xiao, Zhicheng; Department of Anatomy and Developmental Biology, Monash University, Clayton 3800 ; Ma, Keli; Li, Yali; Department of Anatomy, National University of Singapore, Singapore 119078

    2013-10-25

    Highlights: Down-regulating FUT9 and ST3Gal4 expression blocks L1-induced neuronal differentiation of ESCs. Up-regulating FUT9 and ST3Gal4 expression in L1-ESCs depends on the activation of PLC?. L1 promotes ESCs to differentiate into neuron through regulating cell surface glycosylation. -- Abstract: Cell recognition molecule L1 (CD171) plays an important role in neuronal survival, migration, differentiation, neurite outgrowth, myelination, synaptic plasticity and regeneration after injury. Our previous study has demonstrated that overexpressing L1 enhances cell survival and proliferation of mouse embryonic stem cells (ESCs) through promoting the expression of FUT9 and ST3Gal4, which upregulates cell surface sialylation and fucosylation. In the present study, we examined whether sialylation and fucosylation are involved in ESC differentiation through L1 signaling. RNA interference analysis showed that L1 enhanced differentiation of ESCs into neurons through the upregulation of FUT9 and ST3Gal4. Furthermore, blocking the phospholipase C? (PLC?) signaling pathway with either a specific PLC? inhibitor or knockdown PLC? reduced the expression levels of both FUT9 and ST3Gal4 mRNAs and inhibited L1-mediated neuronal differentiation. These results demonstrate that L1 promotes neuronal differentiation from ESCs through the L1-mediated enhancement of FUT9 and ST3Gal4 expression.

  17. Transgenic expression of the dicotyledonous pattern recognition receptor EFR in rice leads to ligand-dependent activation of defense responses

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

    Schwessinger, Benjamin; Bahar, Ofir; Thomas, Nicolas; Holton, Nicolas; Nekrasov, Vladimir; Ruan, Deling; Canlas, Patrick E.; Daudi, Arsalan; Petzold, Christopher J.; Singan, Vasanth R.; et al

    2015-03-30

    Plant plasma membrane localized pattern recognition receptors (PRRs) detect extracellular pathogen-associated molecules. PRRs such as Arabidopsis EFR and rice XA21 are taxonomically restricted and are absent from most plant genomes. Here we show that rice plants expressing EFR or the chimeric receptor EFR::XA21, containing the EFR ectodomain and the XA21 intracellular domain, sense both Escherichia coli- and Xanthomonas oryzae pv. oryzae (Xoo)-derived elf18 peptides at sub-nanomolar concentrations. Treatment of EFR and EFR::XA21 rice leaf tissue with elf18 leads to MAP kinase activation, reactive oxygen production and defense gene expression. Although expression of EFR does not lead to robust enhanced resistancemore » to fully virulent Xoo isolates, it does lead to quantitatively enhanced resistance to weakly virulent Xoo isolates. EFR interacts with OsSERK2 and the XA21 binding protein 24 (XB24), two key components of the rice XA21-mediated immune response. Rice-EFR plants silenced for OsSERK2, or overexpressing rice XB24 are compromised in elf18-induced reactive oxygen production and defense gene expression indicating that these proteins are also important for EFR-mediated signaling in transgenic rice. Taken together, our results demonstrate the potential feasibility of enhancing disease resistance in rice and possibly other monocotyledonous crop species by expression of dicotyledonous PRRs. Our results also suggest that Arabidopsis EFR utilizes at least a subset of the known endogenous rice XA21 signaling components.« less

  18. New hydroprocessing catalysts prepared from molecular complexes

    SciTech Connect (OSTI)

    Ho, T.C.

    1994-12-31

    Current commercial hydroprocessing catalysts are transition metal sulfides (TMS) based on Group 8 and 11 metals. They are prepared by dispersing MoO{sub 3} and a promoter metal oxide, either CoO or NiO, on {gamma}-Al{sub 2}O{sub 3} or SiO{sub 2}-modified Al{sub 2}O{sub 3}. This is followed by sulfiding with a sulfur-bearing stream such as H{sub 2}S at high temperatures. The thus formed MoS{sub 2} crystallites are the backbone of the working catalysts. A potentially fruitful approach to new catalysts would be to molecularly incorporate promoter metals into the structure of MoS{sub 2} edge planes. As a first step, it would seem reasonable to exploit the use of heterometallic metal sulfur complexes as hydroprocessing catalyst precursors. The authors have developed several families of new catalysts along this line. In this paper the authors restrict themselves to the metal amine thiomolybdate-derived catalysts. Specifically, they give an overview of the performance of the bulk (unsupported) FeMo sulfide prepared from MAT. This low-surface-area catalyst shows a high HDN-to-HDS volumetric activity ratio and is also active for HDA. While most of the results are taken from their previous publications, some new results are reported here.

  19. Layered Atom Arrangements in Complex Materials

    SciTech Connect (OSTI)

    K.E. Sikafus; R.W.Grimes; S.M.Corish; A.R. Cleave; M.Tang; C.R.Stanek; B.P. Uberuaga; J.A.Valdez

    2005-04-15

    In this report, we develop an atom layer stacking model to describe systematically the crystal structures of complex materials. To illustrate the concepts, we consider a sequence of oxide compounds in which the metal cations progress in oxidation state from monovalent (M{sup 1+}) to tetravalent (M{sup 4+}). We use concepts relating to geometric subdivisions of a triangular atom net to describe the layered atom patterns in these compounds (concepts originally proposed by Shuichi Iida). We demonstrate that as a function of increasing oxidation state (from M{sup 1+} to M{sup 4+}), the layer stacking motifs used to generate each successive structure (specifically, motifs along a 3 symmetry axis), progress through the following sequence: MMO, MO, M{sub r}O, MO{sub r/s}O{sub u/v}, MOO (where M and O represent fully dense triangular atom nets and r/s and u/v are fractions used to describe partially filled triangular atom nets). We also develop complete crystallographic descriptions for the compounds in our oxidation sequence using trigonal space group R{bar 3}.

  20. Alarm system for a nuclear control complex

    DOE Patents [OSTI]

    Scarola, Kenneth; Jamison, David S.; Manazir, Richard M.; Rescorl, Robert L.; Harmon, Daryl L.

    1994-01-01

    An advanced control room complex for a nuclear power plant, including a discrete indicator and alarm system (72) which is nuclear qualified for rapid response to changes in plant parameters and a component control system (64) which together provide a discrete monitoring and control capability at a panel (14-22, 26, 28) in the control room (10). A separate data processing system (70), which need not be nuclear qualified, provides integrated and overview information to the control room and to each panel, through CRTs (84) and a large, overhead integrated process status overview board (24). The discrete indicator and alarm system (72) and the data processing system (70) receive inputs from common plant sensors and validate the sensor outputs to arrive at a representative value of the parameter for use by the operator during both normal and accident conditions, thereby avoiding the need for him to assimilate data from each sensor individually. The integrated process status board (24) is at the apex of an information hierarchy that extends through four levels and provides access at each panel to the full display hierarchy. The control room panels are preferably of a modular construction, permitting the definition of inputs and outputs, the man machine interface, and the plant specific algorithms, to proceed in parallel with the fabrication of the panels, the installation of the equipment and the generic testing thereof.

  1. Advanced nuclear plant control room complex

    DOE Patents [OSTI]

    Scarola, Kenneth; Jamison, David S.; Manazir, Richard M.; Rescorl, Robert L.; Harmon, Daryl L.

    1993-01-01

    An advanced control room complex for a nuclear power plant, including a discrete indicator and alarm system (72) which is nuclear qualified for rapid response to changes in plant parameters and a component control system (64) which together provide a discrete monitoring and control capability at a panel (14-22, 26, 28) in the control room (10). A separate data processing system (70), which need not be nuclear qualified, provides integrated and overview information to the control room and to each panel, through CRTs (84) and a large, overhead integrated process status overview board (24). The discrete indicator and alarm system (72) and the data processing system (70) receive inputs from common plant sensors and validate the sensor outputs to arrive at a representative value of the parameter for use by the operator during both normal and accident conditions, thereby avoiding the need for him to assimilate data from each sensor individually. The integrated process status board (24) is at the apex of an information hierarchy that extends through four levels and provides access at each panel to the full display hierarchy. The control room panels are preferably of a modular construction, permitting the definition of inputs and outputs, the man machine interface, and the plant specific algorithms, to proceed in parallel with the fabrication of the panels, the installation of the equipment and the generic testing thereof.

  2. Console for a nuclear control complex

    DOE Patents [OSTI]

    Scarola, Kenneth; Jamison, David S.; Manazir, Richard M.; Rescorl, Robert L.; Harmon, Daryl L.

    1993-01-01

    An advanced control room complex for a nuclear power plant, including a discrete indicator and alarm system (72) which is nuclear qualified for rapid response to changes in plant parameters and a component control system (64) which together provide a discrete monitoring and control capability at a panel (14-22, 26, 28) in the control room (10). A separate data processing system (70), which need not be nuclear qualified, provides integrated and overview information to the control room and to each panel, through CRTs (84) and a large, overhead integrated process status overview board (24). The discrete indicator and alarm system (72) and the data processing system (70) receive inputs from common plant sensors and validate the sensor outputs to arrive at a representative value of the parameter for use by the operator during both normal and accident conditions, thereby avoiding the need for him to assimilate data from each sensor individually. The integrated process status board (24) is at the apex of an information hierarchy that extends through four levels and provides access at each panel to the full display hierarchy. The control room panels are preferably of a modular construction, permitting the definition of inputs and outputs, the man machine interface, and the plant specific algorithms, to proceed in parallel with the fabrication of the panels, the installation of the equipment and the generic testing thereof.

  3. Method of particle trajectory recognition in particle flows of high particle concentration using a candidate trajectory tree process with variable search areas

    DOE Patents [OSTI]

    Shaffer, Franklin D.

    2013-03-12

    The application relates to particle trajectory recognition from a Centroid Population comprised of Centroids having an (x, y, t) or (x, y, f) coordinate. The method is applicable to visualization and measurement of particle flow fields of high particle. In one embodiment, the centroids are generated from particle images recorded on camera frames. The application encompasses digital computer systems and distribution mediums implementing the method disclosed and is particularly applicable to recognizing trajectories of particles in particle flows of high particle concentration. The method accomplishes trajectory recognition by forming Candidate Trajectory Trees and repeated searches at varying Search Velocities, such that initial search areas are set to a minimum size in order to recognize only the slowest, least accelerating particles which produce higher local concentrations. When a trajectory is recognized, the centroids in that trajectory are removed from consideration in future searches.

  4. Mathematical approaches for complexity/predictivity trade-offs in complex system models : LDRD final report.

    SciTech Connect (OSTI)

    Goldsby, Michael E.; Mayo, Jackson R.; Bhattacharyya, Arnab; Armstrong, Robert C.; Vanderveen, Keith

    2008-09-01

    The goal of this research was to examine foundational methods, both computational and theoretical, that can improve the veracity of entity-based complex system models and increase confidence in their predictions for emergent behavior. The strategy was to seek insight and guidance from simplified yet realistic models, such as cellular automata and Boolean networks, whose properties can be generalized to production entity-based simulations. We have explored the usefulness of renormalization-group methods for finding reduced models of such idealized complex systems. We have prototyped representative models that are both tractable and relevant to Sandia mission applications, and quantified the effect of computational renormalization on the predictive accuracy of these models, finding good predictivity from renormalized versions of cellular automata and Boolean networks. Furthermore, we have theoretically analyzed the robustness properties of certain Boolean networks, relevant for characterizing organic behavior, and obtained precise mathematical constraints on systems that are robust to failures. In combination, our results provide important guidance for more rigorous construction of entity-based models, which currently are often devised in an ad-hoc manner. Our results can also help in designing complex systems with the goal of predictable behavior, e.g., for cybersecurity.

  5. Chirality-selected phase behaviour in ionic polypeptide complexes

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

    Perry, Sarah L.; Leon, Lorraine; Hoffmann, Kyle Q.; Kade, Matthew J.; Priftis, Dimitrios; Black, Katie A.; Wong, Derek; Klein, Ryan A.; Pierce, III, Charles F.; Margossian, Khatcher O.; et al

    2015-01-14

    In this study, polyelectrolyte complexes present new opportunities for self-assembled soft matter. Factors determining whether the phase of the complex is solid or liquid remain unclear. Ionic polypeptides enable examination of the effects of stereochemistry on complex formation. Here we demonstrate that chirality determines the state of polyelectrolyte complexes, formed from mixing dilute solutions of oppositely charged polypeptides, via a combination of electrostatic and hydrogen-bonding interactions. Fluid complexes occur when at least one of the polypeptides in the mixture is racemic, which disrupts backbone hydrogen-bonding networks. Pairs of purely chiral polypeptides, of any sense, form compact, fibrillar solids with amore » β-sheet structure. Analogous behaviour occurs in micelles formed from polypeptide block copolymers with polyethylene oxide, where assembly into aggregates with either solid or fluid cores, and eventually into ordered phases at high concentrations, is possible. Chirality is an exploitable tool for manipulating material properties in polyelectrolyte complexation.« less

  6. Independent Oversight Review, Y-12 National Security Complex - June 2012 |

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

    Department of Energy Y-12 National Security Complex - June 2012 Independent Oversight Review, Y-12 National Security Complex - June 2012 June 2012 Review of the Y-12 Implementation Verification Review Processes This report documents the results of an independent review of the implementation verification review (IVR) processes at the Department of Energy's (DOE) Y-12 National Security Complex. The review was conducted March 12-30, 2012, by the DOE Office of Safety and Emergency Management

  7. Interfacial Magnetism in Complex Oxide Heterostructures Probed by Neutrons

    Office of Scientific and Technical Information (OSTI)

    and X-rays (Journal Article) | DOE PAGES Interfacial Magnetism in Complex Oxide Heterostructures Probed by Neutrons and X-rays This content will become publicly available on September 2, 2016 « Prev Next » Title: Interfacial Magnetism in Complex Oxide Heterostructures Probed by Neutrons and X-rays Magnetic complex-oxide heterostructures are of keen interest because a wealth of phenomena at the interface of dissimilar materials can give rise to fundamentally new physics and potentially

  8. Exploring the Utilization of Complex Algal Communities to Address Algal

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

    Pond Crash and Increase Annual Biomass Production for Algal Biofuels | Department of Energy Exploring the Utilization of Complex Algal Communities to Address Algal Pond Crash and Increase Annual Biomass Production for Algal Biofuels Exploring the Utilization of Complex Algal Communities to Address Algal Pond Crash and Increase Annual Biomass Production for Algal Biofuels white paper exploring complex algal communities as a means of increasing algal biomass production PDF icon

  9. Mesh Generation for SHARP: Unprecedented Complexity | Department of Energy

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

    Mesh Generation for SHARP: Unprecedented Complexity Mesh Generation for SHARP: Unprecedented Complexity January 29, 2013 - 1:36pm Addthis SHARP Supporting Elements During this quarter, the framework team was involved in two primary efforts, mesh generation and implementation of a MOAB-based coupled multi-physics simulation. For mesh generation, finishing touches were put on three major, high-complexity hexahedral meshes, and support was provided for their use in various simulations: MATiS-H, an

  10. Evaluation of Tris-Bipyridine Chromium Complexes for Flow Battery

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

    Applications: Impact of Bipyridine Ligand Structure on Solubility and Electrochemistry - Joint Center for Energy Storage Research 15, 2015, Research Highlights Evaluation of Tris-Bipyridine Chromium Complexes for Flow Battery Applications: Impact of Bipyridine Ligand Structure on Solubility and Electrochemistry (Top) Synthesis of a series of Cr-bipyridine complexes for the evaluation of solubility and electrochemistry as a function of the metal complex structure. (Bottom) Impact of the

  11. Complex network synchronization of chaotic systems with delay coupling

    SciTech Connect (OSTI)

    Theesar, S. Jeeva Sathya Ratnavelu, K.

    2014-03-05

    The study of complex networks enables us to understand the collective behavior of the interconnected elements and provides vast real time applications from biology to laser dynamics. In this paper, synchronization of complex network of chaotic systems has been studied. Every identical node in the complex network is assumed to be in Lur’e system form. In particular, delayed coupling has been assumed along with identical sector bounded nonlinear systems which are interconnected over network topology.

  12. Proteomics based compositional analysis of complex cellulase-hemicellulase

    Office of Scientific and Technical Information (OSTI)

    mixtures (Journal Article) | SciTech Connect Proteomics based compositional analysis of complex cellulase-hemicellulase mixtures Citation Details In-Document Search Title: Proteomics based compositional analysis of complex cellulase-hemicellulase mixtures Efficient deconstruction of cellulosic biomass to fermentable sugars for fuel and chemical production is accomplished by a complex mixture of cellulases, hemicellulases and accessory enzymes (e.g., >50 extracellular proteins).

  13. Disruption of Hydrogen Bonds between Major Histocompatibility Complex Class

    Office of Scientific and Technical Information (OSTI)

    II and the Peptide NTerminus Is Not Sufficient to Form a Human Leukocyte Antigen-DM Receptive State of Major Histocompatibility Complex Class II (Journal Article) | SciTech Connect Disruption of Hydrogen Bonds between Major Histocompatibility Complex Class II and the Peptide NTerminus Is Not Sufficient to Form a Human Leukocyte Antigen-DM Receptive State of Major Histocompatibility Complex Class II Citation Details In-Document Search Title: Disruption of Hydrogen Bonds between Major

  14. Analysis of macromolecules, ligands and macromolecule-ligand complexes

    Office of Scientific and Technical Information (OSTI)

    (Patent) | DOEPatents Analysis of macromolecules, ligands and macromolecule-ligand complexes Title: Analysis of macromolecules, ligands and macromolecule-ligand complexes A method for determining atomic level structures of macromolecule-ligand complexes through high-resolution powder diffraction analysis and a method for providing suitable microcrystalline powder for diffraction analysis are provided. In one embodiment, powder diffraction data is collected from samples of polycrystalline

  15. Complexes Containing Redox Non-Innocent Ligands for Symmetric,

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

    Multi-Electron Transfer Non-Aqueous Redox Flow Batteries - Joint Center for Energy Storage Research May 28, 2015, Research Highlights Complexes Containing Redox Non-Innocent Ligands for Symmetric, Multi-Electron Transfer Non-Aqueous Redox Flow Batteries (Top) Functionalized chromium bipyridine complexes (left), and solubility data for the charged and neutral species (right). (Bottom) Charge-discharge curves for the Cr(L3)3 complex: A) Full H-cell potential, B) Positive electrode potential,

  16. Crystal Structure of a Protein Kinase A Complex

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

    Crystal Structure of a Protein Kinase A Complex Crystal Structure of a Protein Kinase A Complex Print Wednesday, 26 October 2005 00:00 Protein kinase A (PKA) is an enzyme that regulates processes as diverse as growth, memory, and metabolism. In its unactivated state, PKA exists as a tetrameric complex of two catalytic subunits and a regulatory subunit dimer, but when the intracellular signaling molecule cyclic adenosine monophosphate (cAMP) binds to the regulatory subunit, it facilitates

  17. Step-by-step growth of complex oxide microstructures

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

    Datskos, Panos G.; Cullen, David A.; Sharma, Jaswinder K.

    2015-06-10

    The synthesis of complex and hybrid oxide microstructures is of fundamental interest and practical applications. However, the design and synthesis of such structures is a challenging task. We developed a solution phase process to synthesize complex silica and silica titania hybrid microstructures by exploiting the emulsion droplet based shape control and step by step growth. The strategy is robust and can be extended to make complex hybrid structures made of two or more materials while each having its own shape.

  18. Uranium and thorium complexes of the phosphaethynolate ion (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Uranium and thorium complexes of the phosphaethynolate ion Citation Details In-Document Search Title: Uranium and thorium complexes of the phosphaethynolate ion New tris-amidinate actinide (Th, U) complexes containing a rare O-bound terminal phosphaethynolate (OCP-) ligand were synthesized and fully characterized. The cyanate (OCN-) and thiocyanate (SCN-) analogs were prepared for comparison and feature a preferential N-coordination to the actinide metals. The

  19. An Instrumentation Complex for Atmospheric Radiation Measurements in Siberia

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

    Instrumentation Complex for Atmospheric Radiation Measurements in Siberia S. M. Sakerin, F. V. Dorofeev, D. M. Kabanov, V. S. Kozlov, M. V. Panchenko, Yu. A. Pkhalagov, V. V. Polkin, V. P. Shmargunov, S. A. Terpugova, S. A. Turchinovich, and V. N. Uzhegov Institute of Atmospheric Optics Tomsk, Russia Introduction The instrumentation complex is described, which has been prepared for radiative experiments in the region of Tomsk (West Siberia). The complex consists of three groups of devices to

  20. Conformational instability of the MARK3 UBA domain compromises ubiquitin recognition and promotes interaction with the adjacent kinase domain

    SciTech Connect (OSTI)

    Murphy, James M.; Korzhnev, Dmitry M.; Ceccarelli, Derek F.; Briant, Douglas J.; Zarrine-Afsar, Arash; Sicheri, Frank; Kay, Lewis E.; Pawson, Tony (Mount Sinai Hospital); (Toronto)

    2012-10-23

    The Par-1/MARK protein kinases play a pivotal role in establishing cellular polarity. This family of kinases contains a unique domain architecture, in which a ubiquitin-associated (UBA) domain is located C-terminal to the kinase domain. We have used a combination of x-ray crystallography and NMR dynamics experiments to understand the interaction of the human (h) MARK3 UBA domain with the adjacent kinase domain as compared with ubiquitin. The x-ray crystal structure of the linked hMARK3 kinase and UBA domains establishes that the UBA domain forms a stable intramolecular interaction with the N-terminal lobe of the kinase domain. However, solution-state NMR studies of the isolated UBA domain indicate that it is highly dynamic, undergoing conformational transitions that can be explained by a folding-unfolding equilibrium. NMR titration experiments indicated that the hMARK3 UBA domain has a detectable but extremely weak affinity for mono ubiquitin, which suggests that conformational instability of the isolated hMARK3 UBA domain attenuates binding to ubiquitin despite the presence of residues typically involved in ubiquitin recognition. Our data identify a molecular mechanism through which the hMARK3 UBA domain has evolved to bind the kinase domain, in a fashion that stabilizes an open conformation of the N- and C-terminal lobes, at the expense of its capacity to engage ubiquitin. These results may be relevant more generally to the 30% of UBA domains that lack significant ubiquitin-binding activity, and they suggest a unique mechanism by which interaction domains may evolve new binding properties.

  1. Y-12 earns communications honors | Y-12 National Security Complex

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

    earns communications ... Y-12 earns communications honors Posted: September 5, 2013 - 4:06pm The Y-12 National Security Complex received multiple communications awards during three...

  2. Y-12 earns communications honors | Y-12 National Security Complex

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

    earns communications ... Y-12 earns communications honors Posted: June 27, 2012 - 9:38am The Y-12 National Security Complex received multiple communications awards during two...

  3. Organimetallic Fluorescent Complex Polymers For Light Emitting Applications

    DOE Patents [OSTI]

    Shi, Song Q.; So, Franky

    1997-10-28

    A fluorescent complex polymer with fluorescent organometallic complexes connected by organic chain spacers is utilized in the fabrication of light emitting devices on a substantially transparent planar substrate by depositing a first conductive layer having p-type conductivity on the planar surface of the substrate, depositing a layer of a hole transporting and electron blocking material on the first conductive layer, depositing a layer of the fluorescent complex polymer on the layer of hole transporting and electron blocking material as an electron transporting emissive layer and depositing a second conductive layer having n-type conductivity on the layer of fluorescent complex polymer.

  4. Independent Activity Report, Y-12 National Security Complex- June 2011

    Broader source: Energy.gov [DOE]

    Site Lead Orientation Visit to the Y-12 Site Office and Y-12 National Security Complex [HIAR-Y-12-2011-06-23

  5. Synthetic Information and Decision Informatics for Complex Systems...

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

    Dynamics & Simulation Science Laboratory SALISHAN 2010 Tackling Big Data: HPC Approaches to Informatics Synthetic Information and Decision Informatics for Complex Socially-Coupled...

  6. Y-12 National Security Complex | National Nuclear Security Administrat...

    National Nuclear Security Administration (NNSA)

    Y-12 National Security Complex Y-12 completes waste removal project two years ahead of ... accidents have increased in recent years, particularly with inclement weather... ...

  7. Complex systems influence melting of Greenland ice sheet

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

    melting of Greenland ice sheet Complex systems influence melting of Greenland ice sheet International research team's field work shows that, well, things are more complicated...

  8. Scientists compose complex math equations to replicate behaviors...

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

    Climate Models: Rob Jacob Scientists compose complex math equations to replicate behaviors ... It's math in action. A global model depends on submodels Submodels can be broken into two ...

  9. Origins of optical absorption characteristics of Cu2+ complexes...

    Office of Scientific and Technical Information (OSTI)

    Origins of optical absorption characteristics of Cu2+ complexes in solutions Citation Details In-Document Search Title: Origins of optical absorption characteristics of Cu2+ ...

  10. EIS-0424: Klickitat Hatchery Complex Program, Washington | Department...

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

    the Klickitat Hatchery and the Yakama Nation's Hatchery Complex Program that intend to aid populations of anadromous fish affected by the Federal Columbia River Power System dams. ...

  11. Complex Adaptive Systems of Systems (CASoS) | NISAC

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

    complex physical-socio-technical systems. Examples include: tropical rain forests, agro-eco systems, cities, infrastructure, governments, political systems, education systems,...

  12. Y-12 National Security Complex recognized for outstanding procurement...

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

    the highest savings rate for fiscal year 2013 in the NNSA complex. At the Supply Chain Management Center biannual operational meeting in April, NNSA presented Y-12...

  13. Chemical Hieroglyphs: Abstract Depiction of Complex Void Space...

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

    Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials Previous Next List Kevin Theisen, Berend Smit and Maciej Haranczyk, J. Chem. Inf. ...

  14. Superconductors and Complex Transition Metal Oxides for Tunable...

    Office of Scientific and Technical Information (OSTI)

    Title: Superconductors and Complex Transition Metal Oxides for Tunable THz Plasmonic Metamaterials The outline of this presentation are: (1) Motivation - Non-tunability of metal ...

  15. Complex Polynomial Optimization and its Application to Power...

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

    as electric power systems, signal processing, imaging science, automatic control, and quantum mechanics. Complex numbers are typically used to model oscillatory phenomena which...

  16. Gordon Assesses Security At Nuclear Weapons Complex News.....

    National Nuclear Security Administration (NNSA)

    Anson Franklin, 202586-7371 September 21, 2001 NNSA Administrator Gordon Assesses Security Of the Nuclear Weapons Complex John Gordon, Administrator of the Department of Energy's ...

  17. High-throughput metagenomic technologies for complex microbial...

    Office of Scientific and Technical Information (OSTI)

    formats Prev Next Title: High-throughput metagenomic technologies for complex microbial community analysis. Open and closed formats You are accessing a document from...

  18. Superconductors and Complex Transition Metal Oxides for Tunable...

    Office of Scientific and Technical Information (OSTI)

    in superconductor metamaterials; (4) Controlling the conductivity with infrared pump beam; (5) Complex metal oxides as active substrates - Strontium Titanate; and (6) Conclusion. ...

  19. Structure of the TGF-Beta Receptor Complex Reveals Evolutionary...

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

    Structure of the TGF-Beta Receptor Complex Reveals Evolutionary Adaptations that have Led to Diversification of Function with the Superfamily Growth factors are peptides and ...

  20. Small-Business Policy | Y-12 National Security Complex

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

    Suppliers Socioeconomic Programs Small-Business Policy Small-Business Policy It is the policy of the Y-12 National Security Complex to provide maximum practicable contracting...

  1. Complex Hydrides-A New Frontier for Future Energy Applications...

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

    physics and chemistry of complex hydrides, X-ray diffraction (XRD), high-resolution solid-state nuclear magnetic resonance (NMR), electron microscopy, and first-principles...

  2. Exploring the Utilization of Complex Algal Communities to Address...

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

    Algal Pond Crash and Increase Annual Biomass Production for Algal Biofuels Exploring the Utilization of Complex Algal Communities to Address Algal Pond Crash and Increase ...

  3. Methyltrihydroborate complexes of the lanthanides and actinides

    SciTech Connect (OSTI)

    Shinomoto, R.S.

    1984-11-01

    Reaction of MC1/sub 4/ (M = Zr, Hf, U, Th, Np) with LiBH/sub 3/CH/sub 3/ in chlorobenzene produces volatile, hexane-soluble M(BH/sub 3/CH/sub 3/)/sub 4/. Crystal structures are monomeric, tetrahedral species. Lewis base adducts prepared include U(BH/sub 3/CH/sub 3/)/sub 4/.THT, Th(BH/sub 3/CH/sub 3/)/sub 4/.L (L = THF (tetrahydrofuran), THT (tetrahydrothiophene), SMe/sub 2/, OMe/sub 2/), U(BH/sub 3/CH/sub 3/)/sub 4/.2L (L = THF, pyridine, NH/sub 3/), Th(BH/sub 3/CH/sub 3/)/sub 4/.2L (L = THF, THT, py, NH/sub 3/), M(BH/sub 3/CH/sub 3/)/sub 4/.L-L (M = U, Th; L-L = dme (1,2-dimethoxyethane), bmte (bis(1,2-methylthio)ethane), tmed (N,N,N',N'-tetramethylethylenediamine), dmpe (1,2-dimethylphosphinoethane)) and Th(BH/sub 3/CH/sub 3/)/sub 4/.1/2 OEt/sub 2/. Reaction of MC1/sub 3/ (M = Ho, Yb, Lu) with LiBH/sub 3/CH/sub 3/ in diethyl ether produces volatile, toluene-soluble M(BH/sub 3/CH/sub 3/)/sub 3/.OEt/sub 2/. Other Lewis base adducts prepared from M(BH/sub 3/CH/sub 3/)/sub 3/.OEt/sub 2/ include Ho(BH/sub 3/CH/sub 3/)/sub 3/.L (L = THT, THF, py), Ho(BH/sub 3/CH/sub 3/)/sub 3/.2L (L = THT, THF, py), Ho(BH/sub 3/CH/sub 3/)/sub 3/.tmed, Ho(BH/sub 3/CH/sub 3/)/sub 3/.3/2 L-L (L-L = dmpe, bmte), Yb(BH/sub 3/CH/sub 3/)/sub 3/.3/2 dmpe, Yb(BH/sub 3/Ch/sub 3/).L (L = THF, dme), Yb(BH/sub 3/CH/sub 3/)/sub 3/.2THF, and Lu(BH/sub 3/CH/sub 3/)/sub 3/.THF. By structural criteria, the bonding in actinide and lanthanide methyltrihydroborate complexes is primarily ionic in character even though they display covalent-like physical properties. Spectroscopic measurements indicate that there is some degree of covalent bonding in U(BH/sub 3/CH/sub 3/)/sub 4/.

  4. Building a Foundation for Structure-Based Cellulosome Design for Cellulosic Ethanol: Insight into Cohesin-Dockerin Complexation from Computer Simulation

    SciTech Connect (OSTI)

    Xu, J.; Crowley, M. F.; Smith, J. C.

    2009-01-01

    The organization and assembly of the cellulosome, an extracellular multienzyme complex produced by anaerobic bacteria, is mediated by the high-affinity interaction of cohesin domains from scaffolding proteins with dockerins of cellulosomal enzymes. We have performed molecular dynamics simulations and free energy calculations on both the wild type (WT) and D39N mutant of the C. thermocellum Type I cohesin-dockerin complex in aqueous solution. The D39N mutation has been experimentally demonstrated to disrupt cohesin-dockerin binding. The present MD simulations indicate that the substitution triggers significant protein flexibility and causes a major change of the hydrogen-bonding network in the recognition strips - the conserved loop regions previously proposed to be involved in binding - through electrostatic and salt-bridge interactions between {beta}-strands 3 and 5 of the cohesin and {alpha}-helix 3 of the dockerin. The mutation-induced subtle disturbance in the local hydrogen-bond network is accompanied by conformational rearrangements of the protein side chains and bound water molecules. Additional free energy perturbation calculations of the D39N mutation provide differences in the cohesin-dockerin binding energy, thus offering a direct, quantitative comparison with experiments. The underlying molecular mechanism of cohesin-dockerin complexation is further investigated through the free energy profile, that is, potential of mean force (PMF) calculations of WT cohesin-dockerin complex. The PMF shows a high-free energy barrier against the dissociation and reveals a stepwise pattern involving both the central {beta}-sheet interface and its adjacent solvent-exposed loop/turn regions clustered at both ends of the {beta}-barrel structure.

  5. Providing Rewards and Recognition

    Broader source: Energy.gov [DOE]

    This presentation focuses on rewarding and recognizing employees for industrial energy efficiency accomplishments.

  6. Structural Design Criteria for Anion Hosts: Strategies for Achieving Anion Shape Recognition through the Complementary Placement of Urea Donor Groups

    SciTech Connect (OSTI)

    Hay, Benjamin P.; Firman, Timothy K.; Moyer, Bruce A.

    2005-02-16

    The arrangement of urea ligands about different shaped anions has been evaluated with electronic structure calculations. Geometries and binding energies are reported for urea complexes with Cl{sup -}, NO{sub 3}{sup -}, and ClO{sub 4}{sup -}. The results yield new insight into the nature of urea-anion interactions and provide structural criteria for the deliberate design of anion selective receptors containing two or more urea donor groups.

  7. Metal complexes of substituted Gable porphyrins as oxidation catalysts

    DOE Patents [OSTI]

    Lyons, James E.; Ellis, Jr., Paul E.; Wagner, Richard W.

    1996-01-01

    Transition metal complexes of Gable porphyrins having two porphyrin rings connected through a linking group, and having on the porphyrin rings electron-withdrawing groups, such as halogen, nitro or cyano. These complexes are useful as catalysts for the oxidation of organic compounds, e.g. alkanes.

  8. Metal complexes of substituted Gable porphyrins as oxidation catalysts

    DOE Patents [OSTI]

    Lyons, J.E.; Ellis, P.E. Jr.; Wagner, R.W.

    1996-01-02

    Transition metal complexes of Gable porphyrins are disclosed having two porphyrin rings connected through a linking group, and having on the porphyrin rings electron-withdrawing groups, such as halogen, nitro or cyano. These complexes are useful as catalysts for the oxidation of organic compounds, e.g. alkanes.

  9. Complex fragment emission at low and high excitation energy

    SciTech Connect (OSTI)

    Moretto, L.G.

    1986-08-01

    Complex fragment emission has been certified as a compound nucleus process at low energies. An extension of the measurements to heavy ion reactions up to 50 MeV/u shows that most complex fragments are emitted by highly excited compound nuclei formed in incomplete fusion reactions. 12 refs., 26 figs.

  10. Management of the Department of Energy Nuclear Weapons Complex

    Broader source: Directives, Delegations, and Requirements [Office of Management (MA)]

    2005-06-08

    The Order defines and affirms the authorities and responsibilities of the National Nuclear Security Administration (NNSA) for the management of the Department of Energy Nuclear Weapons Complex and emphasizes that the management of the United States nuclear weapons stockpile is the DOE's highest priority for the NNSA and the DOE Nuclear Weapons Complex. Supersedes DOE O 5600.1.

  11. Identification of Au–S complexes on Au(100)

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

    Walen, Holly; Liu, Da -Jiang; Oh, Junepyo; Yang, Hyun Jin; Kim, Yousoo; Thiel, P. A.

    2016-01-25

    In this study, using a combination of scanning tunneling microscopy and density functional theory (DFT) calculations, we have identified a set of related Au–S complexes that form on Au(100), when sulfur adsorbs and lifts the hexagonal surface reconstruction. The predominant complex is diamond-shaped with stoichiometry Au4S5. All of the complexes can be regarded as combinations of S–Au–S subunits. The complexes exist within, or at the edges of, p(2 × 2) sulfur islands that cover the unreconstructed Au regions, and are observed throughout the range of S coverage examined in this study, 0.009 to 0.12 monolayers. A qualitative model is developedmore » which incorporates competitive formation of complexes, Au rafts, and p(2 × 2) sulfur islands, as Au atoms are released by the surface structure transformation.« less

  12. On the benefits of an integrated nuclear complex for Nevada

    SciTech Connect (OSTI)

    Blink, J.A.; Halsey, W.G.

    1994-01-01

    An integrated nuclear complex is proposed for location at the Nevada Test Site. In addition to solving the nuclear waste disposal problem, this complex would tremendously enhance the southern Nevada economy, and it would provide low cost electricity to each resident and business in the affected counties. Nuclear industry and the national economy would benefit because the complex would demonstrate the new generation of safer nuclear power plants and revitalize the industry. Many spin-offs of the complex would be possible, including research into nuclear fusion and a world class medical facility for southern Nevada. For such a complex to become a reality, the cycle of distrust between the federal government and the State of Nevada must be broken. The paper concludes with a discussion of implementation through a public process led by state officials and culminating in a voter referendum.

  13. Diverse ages and origins of basement complexes, Luzon, Philippines

    SciTech Connect (OSTI)

    Geary, E.E.; Harrison, T.M.; Heizler, M.

    1988-04-01

    Geological field investigations and /sup 40/Ar//sup 39/Ar ages from two basement complexes in southeast Luzon document the first known occurrences of pre-Late Cretaceous age rocks in the eastern Philippines. However, individual components within the two complexes vary in age from Late Jurassic (Caramoan basement complex) to Early Cretaceous and early Miocene (Camarines Norte-Calaguas Islands basement complex). These and other data show that southeast Luzon basement complexes are genetically diverse, and they indicate that the concept of an old, autochthonous basement in the Philippines is open to question. This supports the hypothesis that the Philippine Archipelago is an amalgamation of allochthonous Mesozoic and Cenozoic island-arc, ocean-basin, and continental fragments that were assembled during the Tertiary.

  14. Portsmouth RI/FS Report for the Process Buildings and Complex...

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

    Process Buildings and Complex Facilities Decontamination and Decommissioning Evaluation Project Portsmouth RIFS Report for the Process Buildings and Complex Facilities ...

  15. Multiple-hydrogen complexes in dilute nitride alloys

    SciTech Connect (OSTI)

    Amore Bonapasta, A.; Filippone, F.; Mattioli, G.

    2007-04-10

    Complexes formed by H and the isoelectronic impurity N in GaAs1-yNy alloys have been widely investigated to explain the significant effects of N on the host material properties and their passivation by H. However, available results still present a quite puzzling picture, none of the models proposed by theory for the N-H complexes being able to account for all of the experimental findings. An N-H{sub 2}* complex first proposed by theory was challenged by infrared results. A following C2{nu} complex has been challenged by a recent high resolution x-ray diffraction and photoluminescence spectroscopy study questioning the structural effects of this complex. In the present study, we show that a peculiar character of the H interaction with an isoelectronic impurity can induce the formation of novel, multiple-H complexes. In turn, one of this complexes can account for the H structural effects recently observed, thus reconciling theory and experiment.

  16. Luminescent cyclometallated iridium(III) complexes having acetylide ligands

    DOE Patents [OSTI]

    Thompson, Mark E.; Bossi, Alberto; Djurovich, Peter Ivan

    2014-09-02

    The present invention relates to phosphorescent (triplet-emitting) organometallic materials. The phosphorescent materials of the present invention comprise Ir(III)cyclometallated alkynyl complexes for use as triplet light-emitting materials. The Ir(III)cyclometallated alkynyl complexes comprise at least one cyclometallating ligand and at least one alkynyl ligand bonded to the iridium. Also provided is an organic light emitting device comprising an anode, a cathode and an emissive layer between the anode and the cathode, wherein the emissive layer comprises a Ir(III)cyclometallated alkynyl complex as a triplet emitting material.

  17. Five Dimensional Minimal Supergravities and Four Dimensional Complex Geometries

    SciTech Connect (OSTI)

    Grover, Jai; Gutowski, Jan B.; Herdeiro, Carlos A. R.; Sabra, Wafic

    2009-05-01

    We discuss the relation between solutions admitting Killing spinors of minimal supergravities in five dimensions and four dimensional complex geometries. In the ungauged case (vanishing cosmological constant {lambda} 0) the solutions are determined in terms of a hyper-Kaehler base space; in the gauged case ({lambda}<0) the complex geometry is Kaehler; in the de Sitter case ({lambda}>0) the complex geometry is hyper-Kaehler with torsion (HKT). In the latter case some details of the derivation are given. The method for constructing explicit solutions is discussed in each case.

  18. RECOVERY OF URANIUM BY CYCLOALKYLDITHIO-CARBAMATE COMPLEXING

    DOE Patents [OSTI]

    Neville, O.K.

    1959-06-30

    The separation of uranium-233 from an aqueous nitric acid solution of neutron irradiated thorium by selectively complexing the uranium is described. The separation is carried out by contacting the thorium solution with a non- aromatic organic dithiocarbamate selected from the group which consists of alkali and alkaline earth cycloalkyldithiocarbamates and recovering the resulting uranyl cycloalkyldithiocarbamate complex by organic solvent extraction such as with methyl ethyl ketone. The complexed uranium may be stripped from the separated organic phase by scrubbing with one normal nitric acid solution.

  19. Joel Brock > Research Thrust Leader - Complex OxidesProfessor...

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

    Joel Brock Research Thrust Leader - Complex Oxides Professor Applied and Engineering Physics Research Group Webpage jdb20@cornell.edu Dr. Brock is a Professor in the School of...

  20. ES&H Policy Statement | Y-12 National Security Complex

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

    ES&H Policy Statement ES&H Policy Statement As we work to achieve the Y-12 mission and our vision of a modernized Y-12 Complex, we will do so by ensuring the safety and health of ...

  1. Y-12 National Security Complex | National Nuclear Security Administrat...

    National Nuclear Security Administration (NNSA)

    Y-12 National Security Complex (Y-12) serves as the nation's only source of enriched uranium nuclear weapons components and provides enriched uranium for the U.S. Navy. Y-12 is a...

  2. Complex of transferrin with ruthenium for medical applications

    DOE Patents [OSTI]

    Richards, Powell; Srivastava, Suresh C.; Meinken, George E.

    1984-05-15

    A novel Ruthenium-transferrin complex, prepared by reacting iron-free human transferrin dissolved in a sodium acetate solution at pH 7 with ruthenium by heating at about 40.degree. C. for about 2 hours, and purifying said complex by means of gel chromotography with pH 7 sodium acetate as eluent. The mono- or di-metal complex produced can be used in nuclear medicine in the diagnosis and/or treatment of tumors and abscesses. Comparative results with Ga-67-citrate, which is the most widely used tumor-localizing agent in nuclear medicine, indicate increased sensitivity of detection and greater tumor uptake with the Ru-transferrin complex.

  3. High capacity stabilized complex hydrides for hydrogen storage

    DOE Patents [OSTI]

    Zidan, Ragaiy; Mohtadi, Rana F; Fewox, Christopher; Sivasubramanian, Premkumar

    2014-11-11

    Complex hydrides based on Al(BH.sub.4).sub.3 are stabilized by the presence of one or more additional metal elements or organic adducts to provide high capacity hydrogen storage material.

  4. Complex of transferrin with ruthenium for medical applications

    DOE Patents [OSTI]

    Richards, P.; Srivastava, S.C.; Meinken, G.E.

    1984-05-15

    A novel ruthenium-transferrin complex is disclosed which is prepared by reacting iron-free human transferrin dissolved in a sodium acetate solution at pH 7 with ruthenium by heating at about 40 C for about 2 hours. The complex is purified by means of gel chromotography with pH 7 sodium acetate as eluent. The mono- or di-metal complex produced can be used in nuclear medicine in the diagnosis and/or treatment of tumors and abscesses. Comparative results with Ga-67-citrate, which is the most widely used tumor-localizing agent in nuclear medicine, indicate increased sensitivity of detection and greater tumor uptake with the Ru-transferrin complex. No Drawings

  5. Analysis of macromolecules, ligands and macromolecule-ligand complexes

    DOE Patents [OSTI]

    Von Dreele, Robert B.

    2008-12-23

    A method for determining atomic level structures of macromolecule-ligand complexes through high-resolution powder diffraction analysis and a method for providing suitable microcrystalline powder for diffraction analysis are provided. In one embodiment, powder diffraction data is collected from samples of polycrystalline macromolecule and macromolecule-ligand complex and the refined structure of the macromolecule is used as an approximate model for a combined Rietveld and stereochemical restraint refinement of the macromolecule-ligand complex. A difference Fourier map is calculated and the ligand position and points of interaction between the atoms of the macromolecule and the atoms of the ligand can be deduced and visualized. A suitable polycrystalline sample of macromolecule-ligand complex can be produced by physically agitating a mixture of lyophilized macromolecule, ligand and a solvent.

  6. Non-metallocene organometallic complexes and related methods and systems

    DOE Patents [OSTI]

    Agapie, Theodor; Golisz, Suzanne Rose; Tofan, Daniel; Bercaw, John E.

    2010-12-07

    A non-metallocene organometallic complex comprising a tridentate ligand and a metal bonded to a tridentate ligand, wherein two substituted aryl groups in the tridentate ligand are connected to a cyclic group at the ortho position via semi-rigid ring-ring linkages, and selected so to provide the resulting non-metallocene organometallic complex with a C.sub.S geometry, a C.sub.1 geometry, a C.sub.2 geometry or a C.sub.2v geometry. Method for performing olefin polymerization with a non-metallocene organometallic complex as a catalyst, related catalytic systems, tridentate ligand and method for providing a non-metallocene organometallic complex.

  7. Method and system for producing complex-shape objects

    DOE Patents [OSTI]

    Jeantette, Francisco P.; Keicher, David M.; Romero, Joseph A.; Schanwald, Lee P.

    2000-01-01

    A method and system are provided for producing complex, three-dimensional, net shape objects from a variety of powdered materials. The system includes unique components to ensure a uniform and continuous flow of powdered materials as well as to focus and locate the flow of powdered materials with respect to a laser beam which results in the melting of the powdered material. The system also includes a controller so that the flow of molten powdered materials can map out and form complex, three-dimensional, net-shape objects by layering the molten powdered material. Advantageously, such complex, three-dimensional net-shape objects can be produced having material densities varying from 90% of theoretical to fully dense, as well as a variety of controlled physical properties. Additionally, such complex, three-dimensional objects can be produced from two or more different materials so that the composition of the object can be transitioned from one material to another.

  8. Porphyrins and metal complexes thereof having haloalkyl side chains

    DOE Patents [OSTI]

    Wijesekera, Tilak; Lyons, James E.; Ellis, Jr., Paul E.; Bhinde, Manoj V.

    1997-01-01

    Transition metal complexes of meso-haloalkylporphyrins, wherein the haloalkyl groups contain 2 to 8 carbon atoms have been found to be highly effective catalysts for oxidation of alkanes and for the decomposition of hydroperoxides.

  9. Porphyrins and metal complexes thereof having haloalkyl side chains

    DOE Patents [OSTI]

    Wijesekera, T.; Lyons, J.E.; Ellis, P.E. Jr.; Bhinde, M.V.

    1997-03-04

    Transition metal complexes of meso-haloalkylporphyrins, wherein the haloalkyl groups contain 2 to 8 carbon atoms have been found to be highly effective catalysts for oxidation of alkanes and for the decomposition of hydroperoxides. 7 figs.

  10. EA-1250: Proposed Strategic Computing Complex, Los Alamos, New Mexico

    Broader source: Energy.gov [DOE]

    This EA evaluates the environmental impacts for the proposal to construct and operate the Strategic Computing Complex within the U.S. Department of Energy Los Alamos National Laboratory Technical...

  11. A Supramolecular Complex in Small-Molecule Solar Cells based...

    Office of Scientific and Technical Information (OSTI)

    in Small-Molecule Solar Cells based on Contorted Aromatic Molecules Citation Details In-Document Search Title: A Supramolecular Complex in Small-Molecule Solar Cells based on ...

  12. Quantum interference within the complex quantum Hamilton-Jacobi formalism

    SciTech Connect (OSTI)

    Chou, Chia-Chun; Sanz, Angel S.; Miret-Artes, Salvador; Wyatt, Robert E.

    2010-10-15

    Quantum interference is investigated within the complex quantum Hamilton-Jacobi formalism. As shown in a previous work [Phys. Rev. Lett. 102 (2009) 250401], complex quantum trajectories display helical wrapping around stagnation tubes and hyperbolic deflection near vortical tubes, these structures being prominent features of quantum caves in space-time Argand plots. Here, we further analyze the divergence and vorticity of the quantum momentum function along streamlines near poles, showing the intricacy of the complex dynamics. Nevertheless, despite this behavior, we show that the appearance of the well-known interference features (on the real axis) can be easily understood in terms of the rotation of the nodal line in the complex plane. This offers a unified description of interference as well as an elegant and practical method to compute the lifetime for interference features, defined in terms of the average wrapping time, i.e., considering such features as a resonant process.

  13. Organic light-emitting diodes from homoleptic square planar complexes

    DOE Patents [OSTI]

    Omary, Mohammad A

    2013-11-12

    Homoleptic square planar complexes [M(N.LAMBDA.N).sub.2], wherein two identical N.LAMBDA.N bidentate anionic ligands are coordinated to the M(II) metal center, including bidentate square planar complexes of triazolates, possess optical and electrical properties that make them useful for a wide variety of optical and electrical devices and applications. In particular, the complexes are useful for obtaining white or monochromatic organic light-emitting diodes ("OLEDs"). Improved white organic light emitting diode ("WOLED") designs have improved efficacy and/or color stability at high brightness in single- or two-emitter white or monochrome OLEDs that utilize homoleptic square planar complexes, including bis[3,5-bis(2-pyridyl)-1,2,4-triazolato]platinum(II) ("Pt(ptp).sub.2").

  14. Enforcement Letter, Parsons Technology Development & Fabrication Complex- April 13, 2010

    Broader source: Energy.gov [DOE]

    Issued to Parsons Technology Development & Fabrication Complex related to Deficiencies in the Fabrication of Safety Significant Embed Plates at the Salt Waste Processing Facility at the Savannah River Site,

  15. Simple Model Representations of Transport in a Complex Fracture...

    Office of Scientific and Technical Information (OSTI)

    It is common, however, to represent the complex fracture by much simpler models consisting ... Simple-model properties are often inferred from the analysis of short-term (one to a few ...

  16. Mitochondrial complex I - energy conversion by a giant proton...

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

    Mitochondrial complex I - energy conversion by a giant proton pump Wednesday, November 4, 2015 - 3:00pm SLAC, Redtail Hawk Conference Room 108A Speaker: Volker Zickermann, Goethe...

  17. Complexation of americium with {alpha}-d-iso-saccharinate

    SciTech Connect (OSTI)

    Allard, S.; Knutsson, A.; Oedegaard-Jensen, A.; Ekberg, C.; Jolsteraa, R.

    2008-07-01

    Under alkaline conditions, cellulose will degrade, with iso-saccharinate being the dominant end-product. One of the formed diastereomers, the {alpha}-D-iso-saccharinate, is a strong complexing agent for tri- and tetravalent actinides and is the dominant conformation at pH > 5, rendering other conformations insignificant at neutral to alkaline conditions. The presence of {alpha}-D-iso-saccharinate increases the amount of metal in solution and also affects the surface interactions. Understanding this complexation is of relevance for long-term repository assessments. This study has investigated the complexation of americium with {alpha}-D-iso-saccharinate using solvent-extraction and radioanalytical techniques at 25 deg. C. The stability constants for the complexation reactions were determined by curve fitting of a distribution-ratio equation to experimental data.

  18. Defense Programs: the mission | Y-12 National Security Complex

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

    II. Those factors and a can-do attitude led the site into other mission areas; however, ... What Price Victory Y-12's ability to produce large numbers of complex weapon components ...

  19. 340 waste handling complex: Deactivation project management plan

    SciTech Connect (OSTI)

    Stordeur, R.T.

    1998-06-25

    This document provides an overview of the strategy for deactivating the 340 Waste Handling Complex within Hanford`s 300 Area. The plan covers the period from the pending September 30, 1998 cessation of voluntary radioactive liquid waste (RLW) transfers to the 340 Complex, until such time that those portions of the 340 Complex that remain active beyond September 30, 1998, specifically, the Retention Process Sewer (RPS), can also be shut down and deactivated. Specific activities are detailed and divided into two phases. Phase 1 ends in 2001 after the core RLW systems have been deactivated. Phase 2 covers the subsequent interim surveillance of deactivated and stand-by components during the period of continued RPS operation, through the final transfer of the entire 340 Complex to the Environmental Restoration Contractor. One of several possible scenarios was postulated and developed as a budget and schedule planning case.

  20. Thermodynamic Complexity of Carbon Capture in Alkylamine-Functionalize...

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

    Thermodynamic Complexity of Carbon Capture in Alkylamine-Functionalized Metal-Organic Frameworks Previous Next List D. Wu, T. M. McDonald, Z. Quan, S. V. Ushakov, P. Zhang, J. R....

  1. Unique advantages of organometallic supporting ligands for uranium complexes

    SciTech Connect (OSTI)

    Diaconescu, Paula L.; Garcia, Evan

    2014-05-31

    The objective of our research project was to study the reactivity of uranium complexes supported by ferrocene-based ligands. In addition, this research provides training of graduate students as the next generation of actinide scientists.

  2. Rapid global structure determination of large RNA and RNA complexes...

    Office of Scientific and Technical Information (OSTI)

    Rapid global structure determination of large RNA and RNA complexes using NMR and small-angle X-ray scattering Citation Details In-Document Search Title: Rapid global structure...

  3. Crystal Structure of a Protein Kinase A Complex

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

    Crystal Structure of a Protein Kinase A Complex Print Protein kinase A (PKA) is an enzyme that regulates processes as diverse as growth, memory, and metabolism. In its unactivated...

  4. Simple Model Representations of Transport in a Complex Fracture...

    Office of Scientific and Technical Information (OSTI)

    Effects on Long-Term Predictions Citation Details In-Document Search Title: Simple Model Representations of Transport in a Complex Fracture and Their Effects on Long-Term ...

  5. A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin

    SciTech Connect (OSTI)

    Davlieva, Milya; Shi, Yiwen; Leonard, Paul G.; Johnson, Troy A.; Zianni, Michael R.; Arias, Cesar A.; Ladbury, John E.; Shamoo, Yousif

    2015-04-19

    LiaR is a ‘master regulator’ of the cell envelope stress response in enterococci and many other Gram-positive organisms. Mutations to liaR can lead to antibiotic resistance to a variety of antibiotics including the cyclic lipopeptide daptomycin. LiaR is phosphorylated in response to membrane stress to regulate downstream target operons. Using DNA footprinting of the regions upstream of the liaXYZ and liaFSR operons we show that LiaR binds an extended stretch of DNA that extends beyond the proposed canonical consensus sequence suggesting a more complex level of regulatory control of target operons. We go on to determine the biochemical and structural basis for increased resistance to daptomycin by the adaptive mutation to LiaR (D191N) first identified from the pathogen Enterococcus faecalis S613. LiaRD191N increases oligomerization of LiaR to form a constitutively activated tetramer that has high affinity for DNA even in the absence of phosphorylation leading to increased resistance. The crystal structures of the LiaR DNA binding domain complexed to the putative consensus sequence as well as an adjoining secondary sequence show that upon binding, LiaR induces DNA bending that is consistent with increased recruitment of RNA polymerase to the transcription start site and upregulation of target operons.

  6. A variable DNA recognition site organization establishes the LiaR-mediated cell envelope stress response of enterococci to daptomycin

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

    Davlieva, Milya; Shi, Yiwen; Leonard, Paul G.; Johnson, Troy A.; Zianni, Michael R.; Arias, Cesar A.; Ladbury, John E.; Shamoo, Yousif

    2015-04-19

    LiaR is a ‘master regulator’ of the cell envelope stress response in enterococci and many other Gram-positive organisms. Mutations to liaR can lead to antibiotic resistance to a variety of antibiotics including the cyclic lipopeptide daptomycin. LiaR is phosphorylated in response to membrane stress to regulate downstream target operons. Using DNA footprinting of the regions upstream of the liaXYZ and liaFSR operons we show that LiaR binds an extended stretch of DNA that extends beyond the proposed canonical consensus sequence suggesting a more complex level of regulatory control of target operons. We go on to determine the biochemical and structuralmore » basis for increased resistance to daptomycin by the adaptive mutation to LiaR (D191N) first identified from the pathogen Enterococcus faecalis S613. LiaRD191N increases oligomerization of LiaR to form a constitutively activated tetramer that has high affinity for DNA even in the absence of phosphorylation leading to increased resistance. The crystal structures of the LiaR DNA binding domain complexed to the putative consensus sequence as well as an adjoining secondary sequence show that upon binding, LiaR induces DNA bending that is consistent with increased recruitment of RNA polymerase to the transcription start site and upregulation of target operons.« less

  7. Scanning Transmission Electron Microscopy Investigations of Complex Oxides

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

    | Stanford Synchrotron Radiation Lightsource Scanning Transmission Electron Microscopy Investigations of Complex Oxides Monday, May 23, 2011 - 3:30pm SSRL Conference room 137-322 Professor Tom Vogt, NanoCenter & Department of Chemistry, University of South Carolina High-Angle-Annular-Dark-Field/Scanning Transmission Electron Microscopy (HAADF/STEM) is a technique uniquely suited for detailed studies of the structure and composition of complex oxides. The HAADF detector collects electrons

  8. Initiation Complex Structure and Promoter Proofreading (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Initiation Complex Structure and Promoter Proofreading Citation Details In-Document Search Title: Initiation Complex Structure and Promoter Proofreading Authors: Liu, Xin ; Bushnell, David A. ; Silva, Daniel-Adriano ; Huang, Xuhui ; Kornberg, Roger D. [1] + Show Author Affiliations Stanford-MED Publication Date: 2015-11-30 OSTI Identifier: 1227486 Resource Type: Journal Article Resource Relation: Journal Name: Science; Journal Volume: 33; Journal Issue: 07, 2011 Publisher:

  9. Integrated Analysis of Protein Complexes and Regulatory Networks Involved

    Office of Scientific and Technical Information (OSTI)

    in Anaerobic Energy Metabolism of Shewanella Oneidensis MR-1 (Technical Report) | SciTech Connect Technical Report: Integrated Analysis of Protein Complexes and Regulatory Networks Involved in Anaerobic Energy Metabolism of Shewanella Oneidensis MR-1 Citation Details In-Document Search Title: Integrated Analysis of Protein Complexes and Regulatory Networks Involved in Anaerobic Energy Metabolism of Shewanella Oneidensis MR-1 Anaerobic Nitrate Reduction. Nitrate is an extensive co-contaminant

  10. Materiel availability modeling and analysis for a complex army weapon

    Office of Scientific and Technical Information (OSTI)

    system. (Conference) | SciTech Connect Materiel availability modeling and analysis for a complex army weapon system. Citation Details In-Document Search Title: Materiel availability modeling and analysis for a complex army weapon system. Materiel availability (A{sub m}) is a new US Department of Defense Key Performance Parameter (KPP) implemented through a mandatory Sustainment Metric consisting of an Availability KPP and two supporting Key System Attributes (KSAs), materiel reliability and

  11. Methods for producing complex films, and films produced thereby (Patent) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Methods for producing complex films, and films produced thereby Citation Details In-Document Search Title: Methods for producing complex films, and films produced thereby A method for producing a film, the method comprising melting a layer of precursor particles on a substrate until at least a portion of the melted particles are planarized and merged to produce the film. The invention is also directed to a method for producing a photovoltaic film, the method comprising

  12. Y-12 National Security Complex Technology Marketing Summaries - Energy

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

    Y-12 National Security Campus Ambassador Ensher visits Y-12 and NNSS Ambassador Henry S. Ensher, the top U.S. diplomat at the United States Mission to International Organizations in Vienna, Austria, recently visited two facilities to understand NNSA's mission better: the Y-12 National Security Complex and the Nevada National Security Site (NNSS). At Y-12, he Nuclear Security Administration

    Y-12 National Security Complex Completes W69 Dismantlement February 26, 2016 Click here for a larger

  13. Simplicity of first passage time distributions for common complex

    Office of Scientific and Technical Information (OSTI)

    biochemical processes (Conference) | SciTech Connect Conference: Simplicity of first passage time distributions for common complex biochemical processes Citation Details In-Document Search Title: Simplicity of first passage time distributions for common complex biochemical processes No abstract prepared. Authors: Bell, Golan [1] ; Munsky, Brian [1] ; Nemenman, Iiya [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2009-04-07 OSTI Identifier: 988321 Report

  14. Simplicity of first passage time distributions for common complex

    Office of Scientific and Technical Information (OSTI)

    biochemical processes (Conference) | SciTech Connect Conference: Simplicity of first passage time distributions for common complex biochemical processes Citation Details In-Document Search Title: Simplicity of first passage time distributions for common complex biochemical processes × You are accessing a document from the Department of Energy's (DOE) SciTech Connect. This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and is provided as a public service.

  15. Stochastic Optimization of Complex Systems (Technical Report) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Stochastic Optimization of Complex Systems Citation Details In-Document Search Title: Stochastic Optimization of Complex Systems This project focused on methodologies for the solution of stochastic optimization problems based on relaxation and penalty methods, Monte Carlo simulation, parallel processing, and inverse optimization. The main results of the project were the development of a convergent method for the solution of models that include expectation constraints as in

  16. Structure of a eukaryotic SWEET transporter in a homotrimeric complex

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Structure of a eukaryotic SWEET transporter in a homotrimeric complex Citation Details In-Document Search Title: Structure of a eukaryotic SWEET transporter in a homotrimeric complex Authors: Tao, Yuyong ; Cheung, Lily S. ; Li, Shuo ; Eom, Joon-Seob ; Chen, Li-Qing ; Xu, Yan ; Perry, Kay ; Frommer, Wolf B. ; Feng, Liang [1] ; Cornell) [2] + Show Author Affiliations Stanford-MED ( Publication Date: 2015-11-23 OSTI Identifier: 1226370 Resource Type: Journal

  17. DNA-Binding Mechanism in Prokaryotic Partition Complex Formation

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

    DNA-Binding Mechanism in Prokaryotic Partition Complex Formation DNA-Binding Mechanism in Prokaryotic Partition Complex Formation Print Wednesday, 29 March 2006 00:00 The faithful inheritance of genetic information, essential for all organisms, requires accurate movement and positioning of replicated DNA to daughter cells during cell division. In cells without distinct nuclei (prokaryotes), this process, called partition or segregation, is mediated by par systems. The prototype system of

  18. New ALS Technique Gives Nanoscale Views of Complex Systems

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

    New ALS Technique Gives Nanoscale Views of Complex Systems New ALS Technique Gives Nanoscale Views of Complex Systems Print Wednesday, 28 May 2014 00:00 Studying and identifying molecules at the mesoscale has always been challenging-even the best microscopes and spectrometers have difficulty simultaneously identifying and spatially resolving this realm of matter, which ranges from about 10 to 1000 nanometers in size. But ALS researchers recently developed a broadband imaging technique that looks

  19. ADR Lunchtime Program: MEDIATING COMPLEX DISPUTES WITH THE GOVERNMENT -

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

    OPPORTUNITIES AND CHALLENGES | Department of Energy MEDIATING COMPLEX DISPUTES WITH THE GOVERNMENT - OPPORTUNITIES AND CHALLENGES ADR Lunchtime Program: MEDIATING COMPLEX DISPUTES WITH THE GOVERNMENT - OPPORTUNITIES AND CHALLENGES Mr. Feinberg is one of the nation's leading experts in mediation and alternative dispute resolution (ADR). He was appointed Special Master of the Federal September 11th Victim Compensation Fund of 2001 and the Troubled Asset Relief Program (TARP) Executive

  20. Non-Equilibrium Magnetohydrodynamic Behavior of Plasmas having Complex,

    Office of Scientific and Technical Information (OSTI)

    Evolving Morphology (Technical Report) | SciTech Connect Technical Report: Non-Equilibrium Magnetohydrodynamic Behavior of Plasmas having Complex, Evolving Morphology Citation Details In-Document Search Title: Non-Equilibrium Magnetohydrodynamic Behavior of Plasmas having Complex, Evolving Morphology Our main activity has been doing lab experiments where plasmas having morphology and behavior similar to solar and astrophysical plasmas are produced and studied. The solar experiment is mounted

  1. Automatic Identification and Truncation of Boundary Outlets in Complex

    Office of Scientific and Technical Information (OSTI)

    Imaging-Derived Biomedical Geometries (Journal Article) | SciTech Connect Automatic Identification and Truncation of Boundary Outlets in Complex Imaging-Derived Biomedical Geometries Citation Details In-Document Search Title: Automatic Identification and Truncation of Boundary Outlets in Complex Imaging-Derived Biomedical Geometries Fast and accurate reconstruction of imaging-derived geometries and subsequent quality mesh generation for biomedical computation are enabling technologies for

  2. Complex Geometry Creation and Turbulent Conjugate Heat Transfer Modeling

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Conference: Complex Geometry Creation and Turbulent Conjugate Heat Transfer Modeling Citation Details In-Document Search Title: Complex Geometry Creation and Turbulent Conjugate Heat Transfer Modeling The multiphysics capabilities of COMSOL provide the necessary tools to simulate the turbulent thermal-fluid aspects of the High Flux Isotope Reactor (HFIR). Version 4.1, and later, of COMSOL provides three different turbulence models: the standard k-{var_epsilon}

  3. Component-Centered Approach Towards Oxidation Studies of Complex Biofuels.

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Conference: Component-Centered Approach Towards Oxidation Studies of Complex Biofuels. Citation Details In-Document Search Title: Component-Centered Approach Towards Oxidation Studies of Complex Biofuels. Abstract not provided. Authors: Rotavera, Brandon ; Welz, Oliver ; Sheps, Leonid ; Scheer, Adam Michael ; Savee, John David ; Osborn, David L. ; Simmons, Blake ; Taatjes, Craig A. ; Ali, Mohamad A. ; Lee, Taek Soon ; Violi, Angela Publication Date: 2013-07-01

  4. Reproducible cold fusion reaction using a complex cathode

    SciTech Connect (OSTI)

    Arata, Y.; Zhang, Y.C. )

    1992-09-01

    This paper discusses a new complex cathode which was developed, consisting of a nickel (or palladium) rod with a palladium layer applied by plasma spraying. High reproducibility of a cold fusion reaction is confirmed by using this cathode. The palladium layer activates the surface functions of the deuterated cathode, and reliable evidence is obtained that a new type of heat generation occurred in the complex cathode.

  5. Method of synthesis of anhydrous thorium(IV) complexes

    DOE Patents [OSTI]

    Kiplinger, Jaqueline L; Cantat, Thibault

    2013-04-30

    Method of producing anhydrous thorium(IV) tetrahalide complexes, utilizing Th(NO.sub.3).sub.4(H.sub.2O).sub.x, where x is at least 4, as a reagent; method of producing thorium-containing complexes utilizing ThCl.sub.4(DME).sub.2 as a precursor; method of producing purified ThCl.sub.4(ligand).sub.x compounds, where x is from 2 to 9; and novel compounds having the structures: ##STR00001##

  6. High Fidelity Simulation of Complex Suspension Flow for Practical Rheometry

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

    | Argonne Leadership Computing Facility A visualization of the flow of concrete, a complex suspension A visualization of the flow of concrete, a complex suspension. In this snapshot of the simulation, the stress on each suspended particle is shown color-coded with its specific value drawn on its surface. Suspended particles that have a stress value below a specific threshold value are shown in outline form in order to better view those particles that are carrying the majority of the stress

  7. Special Training Materials | Y-12 National Security Complex

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

    68 Special Report: IG-0868 August 29, 2012 Inquiry into the Security Breach at the National Nuclear Security Administration's Y-12 National Security Complex We initiated this inquiry to identify the circumstances surrounding the Y-12 National Security Complex breach because of the importance of ensuring the safe and secure storage of nuclear materials. Our review found that the Y-12 security incident represented multiple system failures on several levels. We identified troubling displays of

  8. Complex systems influence melting of Greenland ice sheet

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

    Complex systems influence melting of Greenland ice sheet Complex systems influence melting of Greenland ice sheet International research team's field work shows that, well, things are more complicated than we thought December 22, 2014 The newly discovered rolling movement shown in (A) three-dimensional cryo-electron microscopy image of ribosome, and (B) computer-generated atomic-resolution model of the human ribosome consistent with microscopy. An international team of researchers deployed to

  9. Crystal Structure of a Protein Kinase A Complex

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

    Crystal Structure of a Protein Kinase A Complex Print Protein kinase A (PKA) is an enzyme that regulates processes as diverse as growth, memory, and metabolism. In its unactivated state, PKA exists as a tetrameric complex of two catalytic subunits and a regulatory subunit dimer, but when the intracellular signaling molecule cyclic adenosine monophosphate (cAMP) binds to the regulatory subunit, it facilitates dissociation and activation of the catalytic subunits. While separate structures of

  10. Crystal Structure of a Protein Kinase A Complex

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

    Crystal Structure of a Protein Kinase A Complex Print Protein kinase A (PKA) is an enzyme that regulates processes as diverse as growth, memory, and metabolism. In its unactivated state, PKA exists as a tetrameric complex of two catalytic subunits and a regulatory subunit dimer, but when the intracellular signaling molecule cyclic adenosine monophosphate (cAMP) binds to the regulatory subunit, it facilitates dissociation and activation of the catalytic subunits. While separate structures of

  11. Crystal Structure of a Protein Kinase A Complex

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

    Crystal Structure of a Protein Kinase A Complex Print Protein kinase A (PKA) is an enzyme that regulates processes as diverse as growth, memory, and metabolism. In its unactivated state, PKA exists as a tetrameric complex of two catalytic subunits and a regulatory subunit dimer, but when the intracellular signaling molecule cyclic adenosine monophosphate (cAMP) binds to the regulatory subunit, it facilitates dissociation and activation of the catalytic subunits. While separate structures of

  12. Enterprise Assessments Review of the Y-12 National Security Complex

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

    Emergency Management Exercise Program - August 2015 | Department of Energy Emergency Management Exercise Program - August 2015 Enterprise Assessments Review of the Y-12 National Security Complex Emergency Management Exercise Program - August 2015 August 2015 Review of Emergency Management Exercise Program The U.S. Department of Energy (DOE) independent Office of Enterprise Assessments (EA) conducted a review of National Nuclear Security Administration's (NNSA) Y-12 National Security Complex

  13. Structures of GRP94-Nucleotide Complexes Reveal Mechanistic Differences

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

    between the Hsp90 Chaperones Structures of GRP94-Nucleotide Complexes Reveal Mechanistic Differences between the Hsp90 Chaperones Life depends on the biochemical activity of the thousands of proteins that inhabit and decorate the surface of every one of our cells. Proteins themselves, although simple linear combinations of the twenty amino acids, derive their remarkable properties from the complex three-dimensional structures into which they fold. In this way, enzyme active sites are

  14. Crystal Structure of a Protein Kinase A Complex

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

    Crystal Structure of a Protein Kinase A Complex Print Protein kinase A (PKA) is an enzyme that regulates processes as diverse as growth, memory, and metabolism. In its unactivated state, PKA exists as a tetrameric complex of two catalytic subunits and a regulatory subunit dimer, but when the intracellular signaling molecule cyclic adenosine monophosphate (cAMP) binds to the regulatory subunit, it facilitates dissociation and activation of the catalytic subunits. While separate structures of

  15. DNA origami with Complex Curvatures in 3D

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

    with Complex Curvatures in 3D 15 Apr 2011 Center researchers have developed a new DNA origami design strategy for engineering complex, arbitrarily shaped 3D DNA nanostructures that have substantial intrinsic curvatures. This strategy has been presented in a paper by Professors Hao Yan, Yan Liu and coworkers that was featured on the cover of Science for April 15, 2011. Use of DNA as a structural material is in the basis of the DNA nanotechnology searching for ways to assemble nanoscale structures

  16. Superconductors and Complex Transition Metal Oxides for Tunable THz

    Office of Scientific and Technical Information (OSTI)

    Plasmonic Metamaterials (Conference) | SciTech Connect Conference: Superconductors and Complex Transition Metal Oxides for Tunable THz Plasmonic Metamaterials Citation Details In-Document Search Title: Superconductors and Complex Transition Metal Oxides for Tunable THz Plasmonic Metamaterials The outline of this presentation are: (1) Motivation - Non-tunability of metal metamaterials; (2) Superconductors for temperature tunable metamaterials; (3) Ultrafast optical switching in superconductor

  17. The Arabidopsis Cellulose Synthase Complex: A Proposed Hexamer of CESA

    Office of Scientific and Technical Information (OSTI)

    Trimers in an Equimolar Stoichiometry (Journal Article) | SciTech Connect Journal Article: The Arabidopsis Cellulose Synthase Complex: A Proposed Hexamer of CESA Trimers in an Equimolar Stoichiometry Citation Details In-Document Search Title: The Arabidopsis Cellulose Synthase Complex: A Proposed Hexamer of CESA Trimers in an Equimolar Stoichiometry In this study, we show a 1:1:1 stoichiometry between the three Arabidopsis thaliana secondary cell wall isozymes: CESA4, CESA7, and CESA8. This

  18. Automated Testing Instrument for Verification of Complex Computational

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

    Systems | Princeton Plasma Physics Lab Automated Testing Instrument for Verification of Complex Computational Systems Verifying the functionality and proper operation of both hardware and software of complex, low, medium and high speed, Real-Time Instrumentation, Acquisition, Control and Protection systems is typically time consuming and costly. When these systems are expanded, modified, enhanced with new features or software 'bugs' corrected, re-verification of correct operation must be

  19. Highly Luminescent Lanthanide Complexes of 1 Hydroxy-2-pyridinones

    SciTech Connect (OSTI)

    University of California, Berkeley; Lawrence National Laboratory; Raymond, Kenneth; Moore, Evan G.; Xu, Jide; Jocher, Christoph J.; Castro-Rodriguez, Ingrid; Raymond, Kenneth N.

    2007-11-01

    The synthesis, X-ray structure, stability, and photophysical properties of several trivalent lanthanide complexes formed from two differing bis-bidentate ligands incorporating either alkyl or alkyl ether linkages and featuring the 1-hydroxy-2-pyridinone (1,2-HOPO) chelate group in complex with Eu(III), Sm(III) and Gd(III) are reported. The Eu(III) complexes are among some of the best examples, pairing highly efficient emission ({Phi}{sub tot}{sup Eu} {approx} 21.5%) with high stability (pEu {approx} 18.6) in aqueous solution, and are excellent candidates for use in biological assays. A comparison of the observed behavior of the complexes with differing backbone linkages shows remarkable similarities, both in stability and photophysical properties. Low temperature photophysical measurements for a Gd(III) complex were also used to gain insight into the electronic structure, and were found to agree with corresponding TD-DFT calculations for a model complex. A comparison of the high resolution Eu(III) emission spectra in solution and from single crystals also revealed a more symmetric coordination geometry about the metal ion in solution due to dynamic rotation of the observed solid state structure.

  20. A Structural Hinge in Eukaryotic MutY Homologues Mediates Catalytic Activity and Rad9-Rad1-Hus1 Checkpoint Complex Interactions

    SciTech Connect (OSTI)

    P Luncsford; D Chang; G Shi; J Bernstein; A Madabushi; D Patterson; A Lu; E Toth

    2011-12-31

    The DNA glycosylase MutY homologue (MYH or MUTYH) removes adenines misincorporated opposite 8-oxoguanine as part of the base excision repair pathway. Importantly, defects in human MYH (hMYH) activity cause the inherited colorectal cancer syndrome MYH-associated polyposis. A key feature of MYH activity is its coordination with cell cycle checkpoint via interaction with the Rad9-Rad1-Hus1 (9-1-1) complex. The 9-1-1 complex facilitates cell cycle checkpoint activity and coordinates this activity with ongoing DNA repair. The interdomain connector (IDC, residues 295-350) between the catalytic domain and the 8-oxoguanine recognition domain of hMYH is a critical element that maintains interactions with the 9-1-1 complex. We report the first crystal structure of a eukaryotic MutY protein, a fragment of hMYH (residues 65-350) that consists of the catalytic domain and the IDC. Our structure reveals that the IDC adopts a stabilized conformation projecting away from the catalytic domain to form a docking scaffold for 9-1-1. We further examined the role of the IDC using Schizosaccharomyces pombe MYH as model system. In vitro studies of S. pombe MYH identified residues I261 and E262 of the IDC (equivalent to V315 and E316 of the hMYH IDC) as critical for maintaining the MYH/9-1-1 interaction. We determined that the eukaryotic IDC is also required for DNA damage selection and robust enzymatic activity. Our studies also provide the first evidence that disruption of the MYH/9-1-1 interaction diminishes the repair of oxidative DNA damage in vivo. Thus, preserving the MYH/9-1-1 interaction contributes significantly to minimizing the mutagenic potential of oxidative DNA damage.

  1. Combustion-related studies using weakly-bonded complexes

    SciTech Connect (OSTI)

    Beaudet, R.A.

    1993-12-01

    Binary van der Waals complexes involving species of interest to combustion research are prepared in supersonic free-jet expansions, and their photochemical and photophysical properties are probed by using IR tunable diode laser (TDL) spectroscopy. In the first phase, geometries and other molecular properties are being determined from vibration-rotational spectra. In the second phase, these complexes will be used as precursors to study photoinitiated reactions in precursor geometry limited environments. Two complementary classes of binary complexes are being investigated. The first involves molecular oxygen and hydrogen containing constituents (e.g. O{sub 2}-HCN, O{sub 2}-HF, O{sub 2}-HCl, O{sub 2}-HBr, O{sub 2}-HI and O{sub 2}-hydrocarbons). These species are interesting candidates for study since upon photodissociating the hydride portion, the reaction H and O{sub 2} via the vibrationally excited HO{sub 2} intermediate can conceivably be studied, (e.g. BrH-O{sub 2} + hv(193 nm) {yields} Br-H-O{sub 2} {yields} Br + HO{sub 2} {yields} Br + OH + O). High resolution IR spectroscopy of such complexes have not been obtained previously and the structural information deriving from IR spectra is certainly very useful for better designing and understanding photoinitiated reactions that occur in these complexes.

  2. Preparation and reactivity of macrocyclic rhodium(III) alkyl complexes

    SciTech Connect (OSTI)

    Carraher, Jack M.; Ellern, Arkady; Bakac, Andreja

    2013-09-21

    Macrocyclic rhodium(II) complexes LRh(H2O)(2+) (L = L-1 = cyclam and L-2 = meso-Me-6-cyclam) react with alkyl hydroperoxides RC(CH3)(2)OOH to generate the corresponding rhodium(III) alkyls L(H2O)RhR2+ (R = CH3, C2H5, PhCH2). Methyl and benzyl complexes can also be prepared by bimolecular group transfer from alkyl cobaloximes (dmgH)(2)(H2O) CoR and (dmgBF(2))(2)(H2O) CoR (R = CH3, PhCH2) to LRh(H2O)(2+). The new complexes were characterized by solution NMR and by crystal structure analysis. They exhibit great stability in aqueous solution at room temperature, but undergo efficient Rh-C bond cleavage upon photolysis. (C) 2013 Elsevier B.V. All rights reserved.

  3. Decision support systems and methods for complex networks

    DOE Patents [OSTI]

    Huang, Zhenyu; Wong, Pak Chung; Ma, Jian; Mackey, Patrick S; Chen, Yousu; Schneider, Kevin P

    2012-02-28

    Methods and systems for automated decision support in analyzing operation data from a complex network. Embodiments of the present invention utilize these algorithms and techniques not only to characterize the past and present condition of a complex network, but also to predict future conditions to help operators anticipate deteriorating and/or problem situations. In particular, embodiments of the present invention characterize network conditions from operation data using a state estimator. Contingency scenarios can then be generated based on those network conditions. For at least a portion of all of the contingency scenarios, risk indices are determined that describe the potential impact of each of those scenarios. Contingency scenarios with risk indices are presented visually as graphical representations in the context of a visual representation of the complex network. Analysis of the historical risk indices based on the graphical representations can then provide trends that allow for prediction of future network conditions.

  4. Complexation of lanthanides and actinides by acetohydroxamic acid

    SciTech Connect (OSTI)

    Taylor, R.J.; Sinkov, S.I.; Choppin, G.R.

    2008-07-01

    Acetohydroxamic acid (AHA) has been proposed as a suitable reagent for the complexant-based, as opposed to reductive, stripping of plutonium and neptunium ions from the tributylphosphate solvent phase in advanced PUREX or UREX processes designed for future nuclear-fuel reprocessing. Stripping is achieved by the formation of strong hydrophilic complexes with the tetravalent actinides in nitric acid solutions. To underpin such applications, knowledge of the complexation constants of AHA with all relevant actinide (5f) and lanthanide (4f) ions is therefore important. This paper reports the determination of stability constants of AHA with the heavier lanthanide ions (Dy-Yb) and also U(IV) and Th(IV) ions. Comparisons with our previously published AHA stability-constant data for 4f and 5f ions are made. (authors)

  5. Uranium and thorium complexes of the phosphaethynolate ion

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

    Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John

    2015-06-20

    New tris-amidinate actinide (Th, U) complexes containing a rare O-bound terminal phosphaethynolate (OCP⁻) ligand were synthesized and fully characterized. The cyanate (OCN⁻) and thiocyanate (SCN⁻) analogs were prepared for comparison and feature a preferential N-coordination to the actinide metals. The Th(amid)3(OCP) complex reacts with Ni(COD)2 to yield the heterobimetallic adduct (amid)3Th(μ-η1(O):η2(C,P)-OCP)Ni(COD) featuring an unprecedented reduced (OCP⁻) bent fragment bridging the two metals.

  6. A Multiobjective Optimization Framework for Stochastic Control of Complex Systems

    SciTech Connect (OSTI)

    Malikopoulos, Andreas; Maroulas, Vasileios; Xiong, Professor Jie

    2015-01-01

    This paper addresses the problem of minimizing the long-run expected average cost of a complex system consisting of subsystems that interact with each other and the environment. We treat the stochastic control problem as a multiobjective optimization problem of the one-stage expected costs of the subsystems, and we show that the control policy yielding the Pareto optimal solution is an optimal control policy that minimizes the average cost criterion for the entire system. For practical situations with constraints consistent to those we study here, our results imply that the Pareto control policy may be of value in deriving online an optimal control policy in complex systems.

  7. Complex Networks - A Key to Understanding Brain Function

    SciTech Connect (OSTI)

    Olaf Sporns

    2008-01-23

    The brain is a complex network of neurons, engaging in spontaneous and evoked activity that is thought to be the main substrate of mental life.  How this complex system works together to process information and generate coherent cognitive states, even consciousness, is not yet well understood.  In my talk I will review recent studies that have revealed characteristic structural and functional attributes of brain networks, and discuss efforts to build computational models of the brain that are informed by our growing knowledge of brain anatomy and physiology.

  8. Y-12 National Security Complex Completes W69 Dismantlement | National

    National Nuclear Security Administration (NNSA)

    Nuclear Security Administration fieldoffices / Welcome to the NNSA Production Office / NPO News Releases Y-12 National Security Complex Completes W69 Dismantlement February 26, 2016 Click here for a larger image OAK RIDGE, Tenn. -- Dismantlement of W69 canned subassemblies (CSAs) has been completed at the Y-12 National Security Complex. The W69 was the warhead for the short-range attack missile (SRAM) and was retired from the U.S. nuclear stockpile in 1992. The last W69 weapon was dismantled

  9. Complex chaos in the conditional dynamics of qubits

    SciTech Connect (OSTI)

    Kiss, T. [Research Institute for Solid State Physics and Optics, P. O. Box 49, H-1525 Budapest (Hungary); Jex, I.; Vymetal, S. [Department of Physics, FJFI CVUT, Brehova 7, 115 19 Prague 1-Stare Mesto (Czech Republic); Alber, G. [Institut fuer Angewandte Physik, Technische Universitaet Darmstadt, D-64289 Darmstadt (Germany)

    2006-10-15

    We analyze the consequences of iterative measurement-induced nonlinearity on the dynamical behavior of qubits. We present a one-qubit scheme where the equation governing the time evolution is a complex-valued nonlinear map with one complex parameter. In contrast to the usual notion of quantum chaos, exponential sensitivity to the initial state occurs here. We calculate analytically the Lyapunov exponent based on the overlap of quantum states, and find that it is positive. We present a few illustrative examples of the emerging dynamics.

  10. Origins of optical absorption characteristics of Cu2+ complexes in

    Office of Scientific and Technical Information (OSTI)

    solutions (Journal Article) | SciTech Connect Origins of optical absorption characteristics of Cu2+ complexes in solutions Citation Details In-Document Search Title: Origins of optical absorption characteristics of Cu2+ complexes in solutions Authors: Qiu, S R ; Wood, B C ; Ehrmann, P R ; Demos, S G ; Miller, P E ; Schaffers, K I ; Suratwala, T I Publication Date: 2015-02-27 OSTI Identifier: 1234585 Report Number(s): LLNL-JRNL-668007 DOE Contract Number: AC52-07NA27344 Resource Type: Journal

  11. Complex Networks - A Key to Understanding Brain Function

    ScienceCinema (OSTI)

    Olaf Sporns

    2010-01-08

    The brain is a complex network of neurons, engaging in spontaneous and evoked activity that is thought to be the main substrate of mental life.  How this complex system works together to process information and generate coherent cognitive states, even consciousness, is not yet well understood.  In my talk I will review recent studies that have revealed characteristic structural and functional attributes of brain networks, and discuss efforts to build computational models of the brain that are informed by our growing knowledge of brain anatomy and physiology.

  12. Uranium at Y-12: Accountability | Y-12 National Security Complex

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

    Science EDGE ARTICLE View Article Online View Journal £ 1 CrossMark <-click for updates Cite this: DOI: 10.1039/c5sc02150b Uranium and thorium complexes of the phosphaethynolate ionf Clement Camp,a Nicholas Settineri,a Julia Lefevre,b Andrew R. Jupp,c Jose M. Goicoechea,c Laurent Maron*b and John Arnold*a Received 14th June 2015 Accepted 17th July 2015 DOI: 10.1039/c5sc02150b www.rsc.org/chemicalscience New tris-amidinate actinide (Th, U) complexes containing a rare O-bound terminal

  13. DNA Origami with Complex Curvatures in Three-Dimensional Space

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

    DNA Origami with Complex Curvatures in Three-Dimensional Space Authors: Han, D., Pal, S., Nangreave, J., Deng, Z., Liu, Y., and Yan, H. Title: DNA Origami with Complex Curvatures in Three-Dimensional Space Source: Science Year: 2011 Volume: 332 Pages: 342-346 ABSTRACT: We present a strategy to design and construct self-assembling DNA nanostructures that define intricate curved surfaces in three-dimensional (3D) space using the DNA origami folding technique. Double-helical DNA is bent to follow

  14. A duality framework for stochastic optimal control of complex systems

    SciTech Connect (OSTI)

    Malikopoulos, Andreas A.

    2016-01-01

    In this study, we address the problem of minimizing the long-run expected average cost of a complex system consisting of interactive subsystems. We formulate a multiobjective optimization problem of the one-stage expected costs of the subsystems and provide a duality framework to prove that the control policy yielding the Pareto optimal solution minimizes the average cost criterion of the system. We provide the conditions of existence and a geometric interpretation of the solution. For practical situations having constraints consistent with those studied here, our results imply that the Pareto control policy may be of value when we seek to derive online the optimal control policy in complex systems.

  15. Y-12 National Security Complex | National Nuclear Security Administration

    National Nuclear Security Administration (NNSA)

    Y-12 National Security Complex Y-12 National Security Complex DE-AC05-00OR22800 Operated by Babcock & Wilcox Technical Services Y-12, LLC Updated to Modification 297 dated 09/30/2013 BASIC Contract (Official) Modifications (Official) Funding Mods Available Upon Request Conformed Contract (Unofficial) Basic Contract dated 8/31/2000 (pdf, 13,886KB) Y-12 A001 (9/15/00) (pdf, 60KB) Y-12 Conformed Contract (Conformed to Mod 297 dated 09/30/2013 (pdf, 4201 KB) Y-12 A002 (10/15/00) (pdf, 130KB)

  16. Is the bipyridyl thorium metallocene a low-valent thorium complex...

    Office of Scientific and Technical Information (OSTI)

    thorium complex? A combined experimental and computational study Citation Details In-Document Search Title: Is the bipyridyl thorium metallocene a low-valent thorium complex? ...

  17. Complex-energy approach to sum rules within nuclear density functional...

    Office of Scientific and Technical Information (OSTI)

    Complex-energy approach to sum rules within nuclear density functional theory Citation ... This content will become publicly available on April 27, 2016 Title: Complex-energy ...

  18. Characterization of Hydrogen Complex Formation in III-V Semiconductors

    SciTech Connect (OSTI)

    Williams, Michael D.

    2006-09-28

    Atomic hydrogen has been found to react with some impurity species in semiconductors. Hydrogenation is a methodology for the introduction of atomic hydrogen into the semiconductor for the express purpose of forming complexes within the material. Efforts to develop hydrogenation as an isolation technique for AlGaAs and Si based devices failed to demonstrate its commercial viability. This was due in large measure to the low activation energies of the formed complexes. Recent studies of dopant passivation in long wavelength (0.98 - 1.55?m) materials suggested that for the appropriate choice of dopants much higher activation energies can be obtained. This effort studied the formation of these complexes in InP, This material is extensively used in optoelectronics, i.e., lasers, modulators and detectors. The experimental techniques were general to the extent that the results can be applied to other areas such as sensor technology, photovoltaics and to other material systems. The activation energies for the complexes have been determined and are reported in the scientific literature. The hydrogenation process has been shown by us to have a profound effect on the electronic structure of the materials and was thoroughly investigated. The information obtained will be useful in assessing the long term reliability of device structures fabricated using this phenomenon and in determining new device functionalities.

  19. High energy density battery based on complex hydrides

    DOE Patents [OSTI]

    Zidan, Ragaiy

    2016-04-26

    A battery and process of operating a battery system is provided using high hydrogen capacity complex hydrides in an organic non-aqueous solvent that allows the transport of hydride ions such as AlH.sub.4.sup.- and metal ions during respective discharging and charging steps.

  20. Isonitrile radionuclide complexes for labelling and imaging agents

    DOE Patents [OSTI]

    Jones, Alun G.; Davison, Alan; Abrams, Michael J.

    1984-06-04

    A coordination complex of an isonitrile ligand and radionuclide such as Tc, Ru, Co, Pt, Fe, Os, Ir, W, Re, Cr, Mo, Mn, Ni, Rh, Pd, Nb and Ta, is useful as a diagnostic agent for labelling liposomes or vesicles, and selected living cells containing lipid membranes, such as blood clots, myocardial tissue, gall bladder tissue, etc.

  1. Kinetic theory of nonlinear transport phenomena in complex plasmas

    SciTech Connect (OSTI)

    Mishra, S. K. [Institute for Plasma Research (IPR), Gandhinagar 382428 (India); Sodha, M. S. [Centre for Energy Studies (CES), Indian Institute of Technology Delhi (IITD), New Delhi 110016 (India)

    2013-03-15

    In contrast to the prevalent use of the phenomenological theory of transport phenomena, a number of transport properties of complex plasmas have been evaluated by using appropriate expressions, available from the kinetic theory, which are based on Boltzmann's transfer equation; in particular, the energy dependence of the electron collision frequency has been taken into account. Following the recent trend, the number and energy balance of all the constituents of the complex plasma and the charge balance on the particles is accounted for; the Ohmic loss has also been included in the energy balance of the electrons. The charging kinetics for the complex plasma comprising of uniformly dispersed dust particles, characterized by (i) uniform size and (ii) the Mathis, Rumpl, and Nordsieck power law of size distribution has been developed. Using appropriate expressions for the transport parameters based on the kinetic theory, the system of equations has been solved to investigate the parametric dependence of the complex plasma transport properties on the applied electric field and other plasma parameters; the results are graphically illustrated.

  2. Exploring Complex Systems Aspects of Blackout Risk and Mitigation

    SciTech Connect (OSTI)

    Newman, David E [University of Alaska; Carreras, Benjamin A [ORNL; Lynch, Vickie E [ORNL; Dobson, Ian [University of Wisconsin, Madison

    2011-01-01

    Electric power transmission systems are a key infrastructure, and blackouts of these systems have major consequences for the economy and national security. Analyses of blackout data suggest that blackout size distributions have a power law form over much of their range. This result is an indication that blackouts behave as a complex dynamical system. We use a simulation of an upgrading power transmission system to investigate how these complex system dynamics impact the assessment and mitigation of blackout risk. The mitigation of failures in complex systems needs to be approached with care. The mitigation efforts can move the system to a new dynamic equilibrium while remaining near criticality and preserving the power law region. Thus, while the absolute frequency of blackouts of all sizes may be reduced, the underlying forces can still cause the relative frequency of large blackouts to small blackouts to remain the same. Moreover, in some cases, efforts to mitigate small blackouts can even increase the frequency of large blackouts. This result occurs because the large and small blackouts are not mutually independent, but are strongly coupled by the complex dynamics.

  3. Direct observation of photoinduced bent nitrosyl excited-state complexes

    SciTech Connect (OSTI)

    Sawyer, Karma R.; Steele, Ryan P.; Glascoe, Elizabeth A.; Cahoon, James F.; Schlegel, Jacob P.; Head-Gordon, Martin; Harris, Charles B.

    2008-06-28

    Ground state structures with side-on nitrosyl ({eta}{sup 2}-NO) and isonitrosyl (ON) ligands have been observed in a variety of transition-metal complexes. In contrast, excited state structures with bent-NO ligands have been proposed for years but never directly observed. Here we use picosecond time-resolved infrared spectroscopy and density functional theory (DFT) modeling to study the photochemistry of Co(CO){sub 3}(NO), a model transition-metal-NO compound. Surprisingly, we have observed no evidence for ON and {eta}{sup 2}-NO structural isomers, but have observed two bent-NO complexes. DFT modeling of the ground and excited state potentials indicates that the bent-NO complexes correspond to triplet excited states. Photolysis of Co(CO){sub 3}(NO) with a 400-nm pump pulse leads to population of a manifold of excited states which decay to form an excited state triplet bent-NO complex within 1 ps. This structure relaxes to the ground triplet state in ca. 350 ps to form a second bent-NO structure.

  4. Vulnerability analysis for complex networks using aggressive abstraction.

    SciTech Connect (OSTI)

    Colbaugh, Richard; Glass, Kristin L.

    2010-06-01

    Large, complex networks are ubiquitous in nature and society, and there is great interest in developing rigorous, scalable methods for identifying and characterizing their vulnerabilities. This paper presents an approach for analyzing the dynamics of complex networks in which the network of interest is first abstracted to a much simpler, but mathematically equivalent, representation, the required analysis is performed on the abstraction, and analytic conclusions are then mapped back to the original network and interpreted there. We begin by identifying a broad and important class of complex networks which admit vulnerability-preserving, finite state abstractions, and develop efficient algorithms for computing these abstractions. We then propose a vulnerability analysis methodology which combines these finite state abstractions with formal analytics from theoretical computer science to yield a comprehensive vulnerability analysis process for networks of realworld scale and complexity. The potential of the proposed approach is illustrated with a case study involving a realistic electric power grid model and also with brief discussions of biological and social network examples.

  5. Phthalamide-lanthanide complexes for use as luminescent markers

    DOE Patents [OSTI]

    Raymond, Kenneth N.; Petoud, Stephane; Cohen, Seth; Xu, Jide

    2008-10-28

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one phthalamidyl moiety. Also provided are probes incorporating the phthalamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  6. Salicylamide-lanthanide complexes for use as luminescent markers

    DOE Patents [OSTI]

    Raymond, Kenneth N.; Petoud, Stephane; Cohen, Seth; Xu, Jide

    2002-01-01

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one salicylamidyl moiety. Also provided are probes incorporating the salicylamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  7. Phthalamide lanthanide complexes for use as luminescent markers

    DOE Patents [OSTI]

    Raymond, Kenneth N.; Petoud, Stephane; Cohen, Seth M.; Xu, Jide

    2003-01-01

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one phthalamidyl moiety. Also provided are probes incorporating the phthalamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  8. Salicylamide-lanthanide complexes for use as luminescent markers

    DOE Patents [OSTI]

    Raymond, Kenneth N.; Petoud, Stephane; Cohen, Seth; Xu, Jide

    2008-07-29

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one salicylamidyl moiety. Also provided are probes incorporating the salicylamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  9. Salicylamide-lanthanide complexes for use as luminescent markers

    DOE Patents [OSTI]

    Raymond, Kenneth N.; Petoud, Stephane; Cohen, Seth; Xu, Jide

    2006-03-28

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one salicylamidyl moiety. Also provided are probes incorporating the salicylamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  10. Phthalamide-lanthanide complexes for use as luminescent markers

    DOE Patents [OSTI]

    Raymond, Kenneth N.; Petoud, Stephane; Cohen, Seth M.; Xu, Jide

    2005-03-08

    The present invention provides luminescent lanthanide metal chelates comprising a metal ion of the lanthanide series and a complexing agent comprising at least one phthalamidyl moiety. Also provided are probes incorporating the phthalamidyl ligands of the invention and methods utilizing the ligands of the invention and probes comprising the ligands of the invention.

  11. Electron localization in a mixed-valence diniobium benzene complex

    SciTech Connect (OSTI)

    Gianetti, Thomas L.; Nocton, Grgory; Minasian, Stefan G.; Kaltsoyannis, Nikolas; Kilcoyne, A. L. David; Kozimor, Stosh A.; Shuh, David K.; Tyliszczak, Tolek; Bergman, Robert G.; Arnold, John

    2014-11-11

    Reaction of the neutral diniobium benzene complex {[Nb(BDI)NtBu]2(?-C6H6)} (BDI = N,N'-diisopropylbenzene-?-diketiminate) with Ag[B(C6F5)4] results in a single electron oxidation to produce a cationic diniobium arene complex, {[Nb(BDI)NtBu]2(?-C6H6)}{B(C6F5)4}. Investigation of the solid state and solution phase structure using single-crystal X-ray diffraction, cyclic voltammetry, magnetic susceptibility, and multinuclear NMR spectroscopy indicates that the oxidation results in an asymmetric molecule with two chemically inequivalent Nb atoms. Further characterization using density functional theory (DFT) calculations, UV-visible, Nb L3,2-edge X-ray absorption near-edge structure (XANES), and EPR spectroscopies supports assignment of a diniobium complex, in which one Nb atom carries a single unpaired electron that is not largely delocalized on the second Nb atom. During the oxidative transformation, one electron is removed from the ?-bonding HOMO, which causes a destabilization of the molecule and formation of an asymmetric product. Subsequent reactivity studies indicate that the oxidized product allows access to metal-based chemistry with substrates that did not exhibit reactivity with the starting neutral complex.

  12. Control of cerium oxidation state through metal complex secondary structures

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

    Levin, Jessica R.; Dorfner, Walter L.; Carroll, Patrick J.; Schelter, Eric J.

    2015-08-11

    A series of alkali metal cerium diphenylhydrazido complexes, Mx(py)y[Ce(PhNNPh)4], M = Li, Na, and K, x = 4 (Li and Na) or 5 (K), and y = 4 (Li), 8 (Na), or 7 (K), were synthesized to probe how a secondary coordination sphere would modulate electronic structures at a cerium cation. The resulting electronic structures of the heterobimetallic cerium diphenylhydrazido complexes were found to be strongly dependent on the identity of the alkali metal cations. When M = Li+ or Na+, the cerium(III) starting material was oxidized with concomitant reduction of 1,2-diphenylhydrazine to aniline. Reduction of 1,2-diphenylhydrazine was not observedmore » when M = K+, and the complex remained in the cerium(III) oxidation state. Oxidation of the cerium(III) diphenylhydrazido complex to the Ce(IV) diphenylhydrazido one was achieved through a simple cation exchange reaction of the alkali metals. As a result, UV-Vis spectroscopy, FTIR spectroscopy, electrochemistry, magnetic susceptibility, and DFT studies were used to probe the oxidation state and the electronic changes that occurred at the metal centre.« less

  13. Platinum(II) complexes as spectroscopic probes for biomolecules

    SciTech Connect (OSTI)

    Ratilla, E.

    1990-09-21

    The use of platinum(II) complexes as tags and probes for biomolecules is indeed advantageous for their reactivities can be selective for certain purposes through an interplay of mild reaction conditions and of the ligands bound to the platinum. The use of {sup 195}Pt NMR as a method of detecting platinum and its interactions with biomolecules was carried out with the simplest model of platinum(II) tagging to proteins. Variable-temperature {sup 195}Pt NMR spectroscopy proved useful in studying the stereodynamics of complex thioethers like methionine. The complex, Pt(trpy)Cl{sup +}, with its chromophore has a greater potential for probing proteins. It is a noninvasive and selective tag for histidine and cysteine residues on the surface of cytochrome c at pH 5. The protein derivatives obtained are separable, and the tags are easily quantitated and differentiated through the metal-to-ligand charge transfer bands which are sensitive to the environment of the tag. Increasing the pH to 7.0 led to the modification by Pt(trpy)Cl{sup +}of Arg 91 in cytochrome c. Further studies with guanidine-containing ligands as models for arginine modification by Pt(trpy)Cl{sup +} showed that guanidine can act as a terminal ligand and as a bridging ligand. Owing to the potential utility of Pt(trpy)L{sup n+} as electron dense probes of nucleic acid structure, interactions of this bis-Pt(trpy){sup 2+} complex with nucleic acids was evaluated. Indeed, the complex interacts non-covalently with nucleic acids. Its interactions with DNA are not exactly the same as those of its precedents. Most striking is its ability to form highly immobile bands of DNA upon gel electrophoresis. 232 refs.

  14. Evidence of a New Hydrogen Complex in Dilute Nitride Alloys

    SciTech Connect (OSTI)

    Bisognin, G.; De Salvador, D.; Napolitani, E.; Berti, M.; Polimeni, A.; Felici, M.; Capizzi, M.; Guengerich, M.; Klar, P. J.; Bais, G.; Jabeen, F.; Piccin, M.; Rubini, S.; Martelli, F.; Franciosi, A.

    2007-04-10

    By means of high resolution x-ray diffraction and photoluminescence measurements we demonstrate that, as a result of hydrogen irradiation of GaAs1-xNx/GaAs, the original tensile strain of the as-grown material is reversed into a compressive one and that, at the same time, N atoms are electronically passivated. We show that the amount of compressive strain is determined exclusively by N concentration. This compressive strain is caused by the formation of peculiar N-H complexes and disappears after moderate annealing, while N electronic passivation still holds. These experimental results demonstrate that the lattice properties of fully-hydrogenated GaAs1-xNx/GaAs are ruled by a H complex which is different and less stable than that responsible for electronic passivation of N in GaAs1-xNx/GaAs.

  15. A duality framework for stochastic optimal control of complex systems

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

    Malikopoulos, Andreas A.

    2016-01-01

    In this study, we address the problem of minimizing the long-run expected average cost of a complex system consisting of interactive subsystems. We formulate a multiobjective optimization problem of the one-stage expected costs of the subsystems and provide a duality framework to prove that the control policy yielding the Pareto optimal solution minimizes the average cost criterion of the system. We provide the conditions of existence and a geometric interpretation of the solution. For practical situations having constraints consistent with those studied here, our results imply that the Pareto control policy may be of value when we seek to derivemore » online the optimal control policy in complex systems.« less

  16. Method for synthesizing metal bis(borano) hypophosphite complexes

    DOE Patents [OSTI]

    Cordaro, Joseph G.

    2013-06-18

    The present invention describes the synthesis of a family of metal bis(borano) hypophosphite complexes. One procedure described in detail is the syntheses of complexes beginning from phosphorus trichloride and sodium borohydride. Temperature, solvent, concentration, and atmosphere are all critical to ensure product formation. In the case of sodium bis(borano) hypophosphite, hydrogen gas was evolved upon heating at temperatures above 150.degree. C. Included in this family of materials are the salts of the alkali metals Li, Na and K, and those of the alkaline earth metals Mg and Ca. Hydrogen storage materials are possible. In particular the lithium salt, Li[PH.sub.2(BH.sub.3).sub.2], theoretically would contain nearly 12 wt % hydrogen. Analytical data for product characterization and thermal properties are given.

  17. Daylighting and Electric Lighting Analysis for Complex Spaces

    Energy Science and Technology Software Center (OSTI)

    1995-06-07

    SUPERLITE is a powerful lighting analysis program designed to accurately predict interior illuminance in complex building spaces due to daylight and electric lighting systems. The program enables users to model interior daylight levels for any sun and sky condition in spaces having windows, skylights or other standard fenestration systems. SUPERLITE Version 2.0 includes the capability to calculate electric lighting levels in addition to the daylighting prediction, allowing lighting performance simulation for integrated lighting systems. Themore » program calculates lighting levels on all interior surfaces, as well as on planes that can be arbitrarily positioned to represent work surfaces or other locations of interest. SUPERLITE is intended to be used by researchers and lighting designers who require detailed analysis of the illuminance distribution in architecturally complex spaces.« less

  18. Seismic analyses of equipment in 2736-Z complex. Revision 1

    SciTech Connect (OSTI)

    Ocoma, E.C.

    1995-04-01

    This report documents the structural qualification for the existing equipment when subjected to seismic loading in the Plutonium Storage Complex. It replaces in entirety Revision 0 and reconciles the U.S. Department of Energy (DOE) comments on Revision 0. The Complex consists of 2736-Z Building (plutonium storage vault), 2736-ZA Building (vault ventilation equipment building), and 2736-ZB Building (shipping/receiving, repackaging activities). The existing equipment structurally qualified in this report are the metal storage racks for 7 inch and lard cans in room 2 of Building 2736-Z; the cubicles, can holders and pedestals in rooms 1, 3, and 4 of Building 2736-Z; the ventilation duct including exhaust fans/motors, emergency diesel generator, and HEPA filter housing in Building 2736-ZA; the repackaging glovebox in Building 2736-ZB; and the interface duct between Buildings 2736-Z and 2736-ZA.

  19. Carboxy, carboalkoxy and carbamile substituted isonitrile radionuclide complexes

    DOE Patents [OSTI]

    Jones, Alun G.; Davison, Alan; Kronauge, James; Abrams, Michael J.

    1988-04-05

    A coordination complex comprising a radionuclide selected from the class consisting of radioactive isotopes of Tc, Ru, Co, Pt and Re and an isonitrile ligand of the formula: (CNX)R, where X is a lower alkyl group having 1 to 4 carbon atoms, wherein R is selected from the group consisting of COOR.sup.1 and CONR.sup.2 R.sup.3 where R.sup.1 can be H, a pharmaceutically acceptable cation, or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, R.sup.2, and R.sup.3 can be H, or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, and R.sup.2 and R.sup.3 can be the same or different is disclosed. Kits that can be used to form these complexes are also disclosed.

  20. Carboxy, carboalkoxy and carbamile substituted isonitrile radionuclide complexes

    DOE Patents [OSTI]

    Jones, Alun G.; Davison, Alan; Kronauge, James; Abrams, Michael J.

    1989-01-01

    A coordination complex comprising a radionuclide selected from the class consisting of radioactive isotopes of Tc, Ru, Co, Pt and Re and an isonitrile ligand of the formula: (CNX)R, where X is a lower alkyl group having 1 to 4 carbon atoms, wherein R is selected from the group consisting of COOR.sup.1 and CONR.sup.2 R.sup.3 where R.sup.1 can be H, a pharmaceutically acceptable cation, or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms. R.sup.2, and R.sup.3 can be H, or a substituted or unsubstituted alkyl group having 1 to 4 carbon atoms, and R.sup.2 and R.sup.3 can be the same of different is disclosed. Kits that can be used to form these complexes are also disclosed.